<?xml version="1.0" encoding="utf-8"?>
<export-example>
  <doc>
    <id>52323</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>691</pageFirst>
    <pageLast>700</pageLast>
    <pageNumber/>
    <edition/>
    <issue>4</issue>
    <volume>38</volume>
    <type>article</type>
    <publisherName>Taylor &amp; Francis</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Smart filters for the analysis of microplastic in beverages filled in plastic bottles</title>
    <abstract language="eng">The occurrence of microplastic (MP) in food products, such as beverages in plastic bottles, is of high public concern. Existing analytical methods focus on the determination of particle numbers, requiring elaborate sampling tools, laboratory infrastructure and generally time-consuming imaging detection methods. A comprehensive routine analysis of MP in food products is still not possible. In the present work, we present the development of a smart filter crucible as sampling and detection tool. After filtration and drying of the filtered-off solids, a direct determination of the MP mass content from the crucible sample can be done by thermal extraction desorption gas chromatography mass spectroscopy (TED-GC/MS). The new filter crucible allows a filtration of MP down to particle sizes of 5 µm. We determined MP contents below 0.01 µg/L up to 2 µg/L, depending on beverages bottle type. This may be directly related to the bottle type, especially the quality of the plastic material of the screw cap. Dependent on the plastic material, particle formation increases due to opening and closing operations during the use phase. However, we have also found that some individual determinations of samples were subjected to high errors due to random events. A conclusive quantitative evaluation of the products is therefore not possible at present.</abstract>
    <parentTitle language="eng">Food Additives &amp; Contaminants: Part A</parentTitle>
    <identifier type="doi">10.1080/19440049.2021.1889042</identifier>
    <identifier type="issn">1944-0057</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.03.2021</enrichment>
    <author>Korinna Altmann</author>
    <author>U. Braun</author>
    <author>D. Herper</author>
    <author>M. Knefel</author>
    <author>M. Bednarz</author>
    <author>C.-G. Bannick</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microplastic</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TED-GC/MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Plastic bottles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bbeverages</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Filter crucible</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Umwelt</collection>
    <collection role="themenfelder" number="">Umwelt-Material-Interaktionen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Degradationsmechanismen</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>35009</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>389</pageFirst>
    <pageLast>395</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>1105</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace>Amsterdam</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The different conformations and crystal structures of dihydroergocristine</title>
    <abstract language="eng">The identification of different forms of dihydroergocristine (DHEC) was carried out by crystallization from different organic solvents. DHEC was identified as potential template for molecularly imprinted polymers (MIPs) for the epimeric specific analysis of ergot alkaloids (EAs) in food. DHEC was crystallized from different solvents in order to mimic the typical MIP synthesis conditions. Four new solvatomorphs of DHEC were obtained. All solvatomorphs contain a water molecule in the crystal structure, whereas three compounds contain an additional solvent molecule. Based on the conformation of DHEC a comparison with typical EA molecules was possible. The analysis showed that DHEC is a suitable template for MIPs for EAs.</abstract>
    <parentTitle language="eng">Journal of molecular structure</parentTitle>
    <identifier type="old">38159</identifier>
    <identifier type="doi">10.1016/j.molstruc.2015.10.008</identifier>
    <identifier type="issn">0022-2860</identifier>
    <identifier type="issn">1872-8014</identifier>
    <identifier type="issn">0377-046X</identifier>
    <enrichment key="date_peer_review">02.12.2015</enrichment>
    <author>Bettina Mönch</author>
    <author>Werner Kraus</author>
    <author>Robert Köppen</author>
    <author>Franziska Emmerling</author>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>35467</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>18</pageFirst>
    <pageLast>26</pageLast>
    <pageNumber/>
    <edition/>
    <issue>106</issue>
    <volume/>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Time-resolved in situ investigation of Portland cement hydration influenced by chemical admixtures</title>
    <abstract language="eng">Numerous admixtures are used in the building practice to customize the properties of the cement paste during application. The influences of admixtures on the course of cement hydration and formation of hydrate phases have to be considered. Polycarboxylate ether (PCE) based polymeric superplasticizers (SPs) are known to retard the setting of the cement paste. The extent of the retardation differs depending on the molecular structure of the SP. Additionally, the presence of a stabilizing agent (SA) in the cement paste has a retarding side effect on the setting. The initial cement hydration processes and the detailed mechanisms of the retardation influenced by PCEs, as well as their interactions with particular SAs, are insufficiently understood. Up to now, only the results of phenomenological studies were taken into account to describe this retardation process. A detailed structure analysis monitoring the change of the phase composition during the hydration was never applied. Both SP and SA affect the adsorption of the sulphate ions on the clinker particles, causing changes in the formation of ettringite during the initial hydration, and are therefore a crucial part of the setting process itself. Here, the initial hydration of cement influenced by the interaction of SP and SA was monitored in situ by synchrotron X-ray diffraction. The high time resolution of the measurements allowed a continuous detection of the hydrates formed. The hydration was followed from the starting point of water addition and for couple of hours afterwards. The hydration of the levitated cement pellets containing starch as SA was initialized by adding aqueous solutions of different commercial SPs. Changes in the ettringite formation were detected in comparison to the reference hydration of pure cement.</abstract>
    <parentTitle language="eng">Construction and Building Materials</parentTitle>
    <identifier type="doi">http://dx.doi.org/10.1016/j.conbuildmat.2015.12.097</identifier>
    <enrichment key="date_peer_review">19.04.2016</enrichment>
    <author>Julia Stroh</author>
    <author>Moritz-Caspar Schlegel</author>
    <author>Wolfram Schmidt</author>
    <author>Thi Yen Nguyen</author>
    <author>Birgit Meng</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Portland cement Initial hydration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Superplasticizer</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Stabilizer</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="624">Ingenieurbau</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>46913</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>7308</pageFirst>
    <pageLast>7321</pageLast>
    <pageNumber/>
    <edition/>
    <issue>45</issue>
    <volume>20</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Exploring polymorphism and stoichiometric diversity in naproxen/proline cocrystals</title>
    <abstract language="eng">We present naproxen/proline cocrystals discovered when combining enantiopure and racemic naproxen and proline. Using liquid-assisted grinding as the main method to explore the variety of crystal forms in this system, we found 17 cocrystals, of which the structures of only four of them were previously known. The naproxen/proline system exhibited multiple polymorphs of 1 : 1 stoichiometry as well as more rare cocrystals with 1 : 2 and 2 : 3 stoichiometries, two cocrystal hydrates and one cocrystal solvate. In situ ballmilling, used to monitor liquid-assisted grinding reactions, revealed that the solvent dictates the reaction intermediates even if the final reaction product stays the same. Synchrotron X-ray diffraction data collected in situ upon heating allowed us to monitor directly the phase changes upon heating and gave access to pure diffraction patterns of several cocrystals, thus enabling their structure determination from powder X-ray diffraction data; this method also confirmed the formation of a conglomerate in the RS-naproxen/DL-proline system. Proline in cocrystals kept its ability to form charge-assisted head-to-tail &#13;
N-H⋯O hydrogen bonds, typical of pure crystalline amino acids, thus increasing the percentage of strong chargeassisted interactions in the structure and consequently providing some of the cocrystals with higher melting points as compared to pure naproxen. The majority of drugs are chiral, and hence, these data are of importance to the pharmaceutical industry as they provide insight into the challenges of chiral cocrystallization.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="url">https://pubs.rsc.org/en/Content/ArticleLanding/CE/2018/C8CE01338A#!divAbstract</identifier>
    <identifier type="issn">1466-8033</identifier>
    <identifier type="doi">10.1039/c8ce01338a</identifier>
    <enrichment key="date_peer_review">07.12.2018</enrichment>
    <author>Franziska Emmerling</author>
    <author>N. Tumanov</author>
    <author>N. Tumanova</author>
    <author>Franziska Fischer</author>
    <author>F. Morelle</author>
    <author>V. Ban</author>
    <author>K. Robeyns</author>
    <author>Y. Filinchuk</author>
    <author>J. Wouters</author>
    <author>T. Leyssens</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>56506</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1677</pageFirst>
    <pageLast>1688</pageLast>
    <pageNumber/>
    <edition/>
    <issue>6</issue>
    <volume>55</volume>
    <type>article</type>
    <publisherName>Wiley-Blackwell</publisherName>
    <publisherPlace>Oxford</publisherPlace>
    <creatingCorporation>International Union of Crystallography</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Updates in SASfit for fitting analytical expressions and numerical models to small-angle scattering patterns</title>
    <abstract language="eng">Small-angle scattering is an increasingly common method for characterizing particle ensembles in a wide variety of sample types and for diverse areas of application. SASfit has been one of the most comprehensive and flexible curve-fitting programs for decades, with many specialized tools for various fields. Here, a selection of enhancements and additions to the SASfit program are presented that may be of great benefit to interested and advanced users alike: (a) further development of the technical basis of the program, such as new numerical algorithms currently in use, a continuous integration practice for automated building and packaging of the software, and upgrades on the plug-in system for easier adoption by third-party developers; (b) a selection of new form factors for anisotropic scattering patterns and updates to existing form factors to account for multiple scattering effects; (c) a new type of a very flexible distribution called metalog [Keelin (2016). Decis. Anal. 13, 243–277], and regularization techniques such as the expectation-maximization method [Dempster et al. (1977). J. R. Stat. Soc. Ser. B (Methodological), 39, 1–22; Richardson (1972) J. Opt. Soc. Am. 62, 55; Lucy (1974). Astron. J. 79, 745; Lucy (1994). Astron. Astrophys. 289, 983–994], which is compared with fits of analytical size distributions via the non-linear least-squares method; and (d) new structure factors, especially for ordered nano- and meso-scaled material systems, as well as the Ornstein–Zernike solver for numerical determination of particle interactions and the resulting structure factor when no analytical solution is available, with the aim of incorporating its effects into the small-angle scattering intensity model used for fitting with SASfit.</abstract>
    <parentTitle language="eng">Journal of applied crystallography</parentTitle>
    <identifier type="doi">10.1107/S1600576722009037</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-565069</identifier>
    <identifier type="issn">0021-8898</identifier>
    <identifier type="issn">1600-5767</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">02.01.2023</enrichment>
    <enrichment key="RelatedIdentifier">https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/57913</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>J. Kohlbrecher</author>
    <author>Ingo Breßler</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Small-angle scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Numerical models</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structure factors</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Regularization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SANS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/56506/yr5094.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/56506/yr5094sup1.pdf</file>
  </doc>
  <doc>
    <id>17578</id>
    <completedYear/>
    <publishedYear>2008</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>16</pageFirst>
    <pageLast>26</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>30</volume>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace>Hoboken, NJ</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Three dimensional computerized microtomography in the analysis of sculpture</title>
    <abstract language="eng">The Alte Nationalgalerie, Staatliche Museen zu Berlin (SMB) and the Federal Institute for Materials Research and Testing (BAM) tested the accomplishment of the three dimensional computerized microtomography (3D-µCT) - a new flat panel detector computerized tomography (CT) system at the BAM with extended energy range, with high voltage X-ray tubes (330 and 225 kV), with micrometer focal spot size and micrometer resolution and enlarged object size (up to 70 cm diameter) - for examining plaster statues.&#13;
&#13;
The high spatial and density resolution of the tomograph enable detailed insights into the individual work processes of the investigated cast plaster statues. While initiated in support of the conservation process, computed tomography (CT) analysis has assisted in revealing relative chronologies within the series of the cast works of art, thus serving as a valuable tool in the art-historical appraisal of the oeuvres.&#13;
&#13;
The image-processing systems visualize the voids and cracks within and the cuts through the original cast works. Internal structures, armoring, sculptural reworking as well as restorative interventions are virtually reconstructed.&#13;
&#13;
The authors are currently employing the 3D-µCT systems at the BAM into the detection of defects in Carrara marble sculpture. Microcracks, fractures, and material flaws are visualized at spatial resolution down to 10 µm. Computerized reconstruction of ultrasound tomography is verified by analyzing correlations in the results obtained from the complementary application of these two non-destructive testing (NDT) methods of diagnosis.</abstract>
    <parentTitle language="eng">Scanning</parentTitle>
    <identifier type="old">19647</identifier>
    <identifier type="issn">0161-0457</identifier>
    <identifier type="issn">1932-8745</identifier>
    <identifier type="doi">10.1002/sca.20080</identifier>
    <enrichment key="date_peer_review">16.06.2008</enrichment>
    <author>Aurelia Badde</author>
    <author>Bernhard Illerhaus</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cast plaster statues</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Three dimensional microtomography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Carrara marble sculpture</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Condition assessment</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Visualization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Internal structures</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Material flaws</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ultrasound computed tomography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Correlation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Validation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>26666</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst>1018</pageFirst>
    <pageLast>1022</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>60</volume>
    <type>article</type>
    <publisherName>Wiley-VCH Verl.</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation>Gesellschaft Deutscher Chemiker</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">Alterungseffekte bei Polymerwerkstoffen messen</title>
    <abstract language="deu">Bei der Auswahl von Werkstoffen spielt deren Alterung oft eine untergeordnete Rolle, stattdessen wird häufig der ungealterte Ausgangszustand optimiert. Materialien altern aber unterschiedlich. Der Effekt der molekularen Alterung spiegelt sich in den Eigenschaften mehr oder weniger stark und in unterschiedlichem zeitlichen Verlauf wider. Da es kein physikalisch-chemisches Modell dafür gibt, sind Alterungseffekte empirisch zu bestimmen.</abstract>
    <parentTitle language="deu">Nachrichten aus der Chemie</parentTitle>
    <identifier type="old">29440</identifier>
    <identifier type="doi">10.1002/nadc.201290356</identifier>
    <identifier type="issn">1439-9598</identifier>
    <identifier type="issn">1521-3854</identifier>
    <enrichment key="date_peer_review">15.10.2012</enrichment>
    <author>Volker Wachtendorf</author>
    <author>Anja Geburtig</author>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Alterung</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Polymerwerkstoff</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Eigenschaftsänderung</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>27686</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>27</pageFirst>
    <pageLast>39</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>76</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace>Amsterdam</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">History of inductively coupled plasma mass spectrometry-based immunoassays</title>
    <abstract language="eng">The analysis of biomolecules requires highly sensitive and selective detection methods capable of tolerating a complex, biological matrix. First applications of biomolecule detection by ICP-MS relied on the use of heteroelements as a label for quantification. However, the combination of immunoassays and ICP-MS facilitates multiparametric analyses through elemental tagging, and provides a powerful alternative to common bioanalytical methods. This approach extends the detection of biomarkers in clinical diagnosis, and has the potential to provide a deeper understanding of the investigated biological system. The results might lead to the detection of diseases at an early stage, or guide treatment plans. Immunoassays are well accepted and established for diagnostic purposes, albeit ICP-MS is scarcely applied for the detection of immune-based assays. However, the screening of biomarkers demands high throughput and multiplex/multiparametric techniques, considering the variety of analytes to be queried. Finally, quantitative information on the expression level of biomarkers is highly desirable to identify abnormalities in a given organism. Thus, it is the aim of this review to introduce the fundamentals, and to discuss the enormous strength of ICP-MS for the detection of different immunoassays on the basis of selected applications, with a special focus on LA-ICP-MS.</abstract>
    <parentTitle language="eng">Spectrochimica acta B</parentTitle>
    <identifier type="old">30517</identifier>
    <identifier type="doi">10.1016/j.sab.2012.06.009</identifier>
    <identifier type="issn">0584-8547</identifier>
    <identifier type="issn">0038-6987</identifier>
    <note>Geburtsname von Müller, Larissa: Wäntig, L. -  Birth name of Müller, Larissa: Wäntig, L.</note>
    <enrichment key="date_peer_review">14.02.2013</enrichment>
    <author>C. Giesen</author>
    <author>Larissa Müller</author>
    <author>Ulrich Panne</author>
    <author>Norbert Jakubowski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ICP-MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>LA-ICP-MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Immunoassay</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elemental tagging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multiplexing</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>25460</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1244</pageFirst>
    <pageLast>1255</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>51</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace>Washington, DC</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">What reacts with what in bisphenol A polycarbonate/silicon rubber/bisphenol A bis(diphenyl phosphate) during pyrolysis and fire behavior?</title>
    <abstract language="eng">The pyrolysis and flame retardancy of a bisphenol A polycarbonate/silicon rubber/bisphenol A bis(diphenyl phosphate) (PC/SiR/BDP) blend were investigated and compared to those of PC/BDP and PC/SiR. The impact modifier SiR consists mainly of poly(dimethylsiloxane) (PDMS &gt; 80 wt %). The pyrolysis of PC/SiR/BDP was studied by thermogravimetry (TG), TG–FTIR to analyze the evolved gases, and a Linkam hot stage cell within FTIR as well as 29Si NMR and 31P NMR to analyze the solid residue. The fire performance was determined by PCFC, LOI, UL 94, and a cone calorimeter under different external irradiations. The fire residues were studied by using ATR-FTIR as well as the additional binary systems PC + PDMS, PC + BDP, and BDP + PDMS, focusing on the specific chemical interactions. The decomposition pathways are revealed, focusing on the competing interaction between the components. Fire retardancy in PC/SiR/BDP is caused by both flame inhibition in the gas phase and inorganic-carbonaceous residue formation in the condensed phase. The PC/SiR/BDP does not work as well superimposing the PC/SiR and PC/BDP performances. PDMS reacts with PC and BDP, decreasing BDP's mode of action. Nevertheless, the flammability (LOI &gt; 37%, UL 94 V-0) of PC/SiR/BDP equals the high level of PC/BDP. Indeed, SiR in PC/SiR/BDP is underlined as a promising impact modifier in flame-retarded PC/impact modifier blends as an alternative to highly flammable impact modifiers such as acrylonitrile–butadiene–styrene (ABS), taking into account that the chosen SiR leads to PC blends with a similar mechanical performance.</abstract>
    <parentTitle language="eng">Industrial &amp; engineering chemistry research</parentTitle>
    <identifier type="old">28178</identifier>
    <identifier type="doi">10.1021/ie201908s</identifier>
    <identifier type="issn">0888-5885</identifier>
    <identifier type="issn">1520-5045</identifier>
    <enrichment key="date_peer_review">16.02.2012</enrichment>
    <author>Eliza Wawrzyn</author>
    <author>Bernhard Schartel</author>
    <author>Henrik Seefeldt</author>
    <author>Andrea Karrasch</author>
    <author>Christian Jäger</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BDP</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PDMS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flame retardancy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flammability</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Decomposition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pyrolysis</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>26292</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1561</pageFirst>
    <pageLast>1574</pageLast>
    <pageNumber/>
    <edition/>
    <issue>9</issue>
    <volume>48</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace>Oxford</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Are novel aryl phosphates competitors for bisphenol A bis(diphenyl phosphate) in halogen-free flame-retarded polycarbonate/acrylonitrile-butadiene-styrene blends?</title>
    <abstract language="eng">The reactivity of the flame retardant and its decomposition temperature control the condensed-phase action in bisphenol A polycarbonate/acrylonitrile–butadiene–styrene/polytetrafluoroethylene (PC/ABSPTFE) blends. Thus, to increase charring in the condensed phase of PC/ABSPTFE + aryl phosphate, two halogen-free flame retardants were synthesized: 3,3,5-trimethylcyclohexylbisphenol bis(diphenyl phosphate) (TMC-BDP) and bisphenol A bis(diethyl phosphate) (BEP). Their performance is compared to bisphenol A bis(diphenyl phosphate) (BDP) in PC/ABSPTFE blend. The comprehensive study was carried out using thermogravimetry (TG); TG coupled with Fourier transform infrared spectrometer (TG-FTIR); the Underwriters Laboratory burning chamber (UL 94); limiting oxygen index (LOI); cone calorimeter at different irradiations; tensile, bending and heat distortion temperature tests; as well as rheological studies and differential scanning calorimeter (DSC). With respect to pyrolysis, TMC-BDP works as well as BDP in the PC/ABSPTFE blend by enhancing the cross-linking of PC, whereas BEP shows worse performance because it prefers cross-linking with itself rather than with PC. As to its fire behavior, PC/ABSPTFE + TMC-BDP presents results very similar to PC/ABSPTFE + BDP; the blend PC/ABSPTFE + BEP shows lower flame inhibition and higher total heat evolved (THE). The UL 94 for the materials with TMC-BDP and BDP improved from HB to V0 for specimens of 3.2 mm thickness compared to PC/ABSPTFE and PC/ABSPTFE + BEP; the LOI increased from around 24% up to around 28%, respectively. BEP works as the strongest plasticizer in PC/ABSPTFE, whereas the blends with TMC-BDP and BDP present the same rheological properties. PC/ABSPTFE + TMC-BDP exhibits the best mechanical properties among all flame-retarded blends.</abstract>
    <parentTitle language="eng">European polymer journal</parentTitle>
    <identifier type="old">29045</identifier>
    <identifier type="doi">10.1016/j.eurpolymj.2012.06.015</identifier>
    <identifier type="issn">0014-3057</identifier>
    <identifier type="issn">1873-1945</identifier>
    <enrichment key="date_peer_review">13.08.2012</enrichment>
    <author>Eliza Wawrzyn</author>
    <author>Bernhard Schartel</author>
    <author>M. Ciesielski</author>
    <author>B. Kretzschmar</author>
    <author>Ulrike Braun</author>
    <author>M. Döring</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polycarbonate (PC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aryl phosphate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flame retardancy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pyrolysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PC/ABS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>26256</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1311</pageFirst>
    <pageLast>1320</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>27</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Comparison of different chelates for lanthanide labeling of antibodies and application in a Western blot immunoassay combined with detection by laser ablation (LA-)ICP-MS</title>
    <abstract language="eng">We have developed lanthanide labeling strategies for antibodies to adapt conventional biochemical workflows like Western blot immunoassays for detection by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) analysis with a special interest to apply the multi-element capabilities of ICP-MS for the design of multiplexed immunoassays. In this paper the lanthanide labeling of antibodies with MeCAT was investigated and the reaction conditions were optimized for application in a Western blot immunoassay analyzed by LA-ICP-MS. Furthermore, the MeCAT labeling strategy was compared with two other commercially available labeling reagents, MAXPAR and SCN-DOTA. As a proof-of-principle experiment chemically induced alterations of cytochrome P450 protein expression were investigated and the suitability of the differentially labeled antibodies for Western blot immunoassays of a complex liver microsomal protein fraction was tested. Limits of detection (LODs) in the lower fmol range were reached in the Western blot application using MeCAT and MAXPAR as element labeling reagents, whereas even sub-fmol LODs can be achieved in a dot blot experiment for the pure antibodies.</abstract>
    <parentTitle language="eng">Journal of analytical atomic spectrometry</parentTitle>
    <identifier type="old">29006</identifier>
    <identifier type="doi">10.1039/c2ja30068k</identifier>
    <identifier type="issn">0267-9477</identifier>
    <identifier type="issn">1364-5544</identifier>
    <note>Geburtsname von Müller, Larissa: Wäntig, L. -  Birth name of Müller, Larissa: Wäntig, L.</note>
    <note>Geburtsname von Hösl, Simone: Hardt, S. -  Birth name of Hösl, Simone: Hardt, S.</note>
    <enrichment key="date_peer_review">07.08.2012</enrichment>
    <author>Larissa Müller</author>
    <author>Norbert Jakubowski</author>
    <author>Simone Hösl</author>
    <author>C. Scheler</author>
    <author>P. H. Roos</author>
    <author>M. W. Linscheid</author>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>22647</id>
    <completedYear/>
    <publishedYear>2010</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2525</pageFirst>
    <pageLast>2533</pageLast>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>95</volume>
    <type>article</type>
    <publisherName>Applied Science Publ.</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Solid-state NMR on thermal and fire residues of bisphenol A polycarbonate/silicone acrylate rubber/bisphenol A bis(diphenyl-phosphate)/(PC(SiR/BDP) and PC/SiR/BDP/zinc borate (PC/SiR/BDP/ZnB) - Part 1: PC charring and the impact of BDP and ZnB</title>
    <abstract language="eng">Structural changes in the condensed phase of bisphenol A polycarbonate (containing 0.45 wt% poly (tetrafluoroethylene))/silicone acrylate rubber/bisphenol A bis(diphenyl-phosphate) (PC/SiR/BDP) and PC/SiR/BDP/zinc borate (PC/SiR/BDP/ZnB) during thermal treatment in nitrogen atmosphere and in fire residues were investigated by solid-state NMR. H-1, B-11, C-13 and P-31 NMR experiments using direct excitation with a single pulse and H-1-P-31 cross-polarization (CP) were carried out including 31P(1 H) and C-13{P-31}double-resonance techniques (REDOR: Rotational Echo Double Resonance) on a series of heat-treated samples (580 K-850 K). Because many amorphous phases occur in the solid residues, and solid-state NMR spectroscopy addresses the most important sites carbon, phosphorus and boron, this paper is the key analytical approach for understanding the pyrolysis and flame retarding phenomenon in the condensed phase of PC/SiR/BDP and PC/SiR/BDP/ZnB. &#13;
&#13;
For the system PC/SiR/BDP it is shown that (i) at temperatures around 750-770 K (main decomposition step) carbonaceous charring of PC occurs and arylphosphate structures are still present, reacted in part with the decomposing PC; (ii) for higher temperatures from 770 K the phosphorus remaining in the solid phase increasingly converts to amorphous phosphonates and inorganic orthophosphates with a minor amount of crystalline orthophosphates; and (iii) H-1-P-31{H-1} CP REDOR and H-1-C-13{P-31} CP REDOR NMR experiments suggest that the phosphates and phosphonates are bound via oxygen to aromatic carbons, indicating the interaction with the carbonaceous char. &#13;
&#13;
When ZnB is added to the system PC/SiR/BDP, (i) ZnB leads to a slightly enhanced PC decomposition for temperatures below 750 K; (ii) alpha-Zn-3(PO4)(2) and borophosphate (BPO4) are formed in small amounts at high temperatures suggesting a reaction between BDP and ZnB during thermal decomposition; and (iii) most of the borate remains in the solid residues, forming an amorphous pure borate network, with the BO3/BO4 ratio increasing with higher temperatures. &#13;
&#13;
The NMR data of thermal and fire residues are highly correlated, underlining the importance of this work for understanding the pyrolysis and flame retardancy mechanisms in the condensed phase during the burning of the PC/SiR blends. (C) 2010 Elsevier Ltd. All rights reserved.</abstract>
    <parentTitle language="eng">Polymer degradation and stability</parentTitle>
    <identifier type="old">25190</identifier>
    <identifier type="doi">10.1016/j.polymdegradstab.2010.07.034</identifier>
    <identifier type="issn">0141-3910</identifier>
    <identifier type="issn">1873-2321</identifier>
    <enrichment key="date_peer_review">06.12.2010</enrichment>
    <author>Andrea Karrasch</author>
    <author>Eliza Wawrzyn</author>
    <author>Bernhard Schartel</author>
    <author>Christian Jäger</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Flame retardance</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>NMR</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polycarbonate (PC) blends</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bisphenol-A bis(diphenyl)phosphate (BDP)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zinc borate</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>50639</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1787</pageFirst>
    <pageLast>1797</pageLast>
    <pageNumber/>
    <edition/>
    <issue>9</issue>
    <volume>124</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Temperature- and Structure-Dependent Optical Properties and Photophysics of BODIPY Dyes</title>
    <abstract language="eng">We report on the temperature- and structural-dependent optical properties and photophysics of a set of boron dipyrromethene (BODIPY) dyes with different substitution patterns of their meso-aryl subunit. Single-crystal Xray diffraction analysis of the compounds enabled a classification of the dyes into a sterically hindered and a unhindered group. The steric hindrance refers to a blocked rotational motion of the aryl subunit around the bond connecting this moiety to the meso-position of the BODIPY core. The energy barriers related to this rotation were simulated by DFT calculations. As follows from the relatively low rotational barrier calculated to about 17 kcal/mol, a free rotation is only possible for sterically unhindered compounds. Rotational barriers of more than 40 kcal/mol determined for the sterically hindered compounds suggest an effective freezing of the rotational motion in These molecules. With the aid of temperature-dependent spectroscopic measurements, we could show that the ability to rotate directly affects the optical properties of our set of BODIPY dyes. This accounts for the strong temperature dependence of the fluorescence of the sterically unhindered compounds which show a drastic decrease in fluorescence quantum yield and a significant shortening in fluorescence lifetime upon heating. The optical properties of the sterically hindered compounds, however, are barely affected by temperature. Our results suggest a nonradiative deactivation of the first excited singlet state of the sterically unhindered compounds caused by a conical intersection of the potential energy surfaces of the Ground and first excited state which is accessible by rotation of the meso-subunit. This is in good agreement with previously reported deactivation mechanisms. In addition, our results suggest the presence of a second nonradiative depopulation pathway of the first excited singlet state which is particularly relevant for the sterically hindered compounds.</abstract>
    <parentTitle language="eng">The Journal of Physical Chemistry</parentTitle>
    <identifier type="doi">10.1021/acs.jpca.9b11859</identifier>
    <identifier type="issn">1089-5639</identifier>
    <enrichment key="date_peer_review">08.04.2020</enrichment>
    <author>Sebastian Radunz</author>
    <author>Werner Kraus</author>
    <author>F. A. Bischoff</author>
    <author>Franziska Emmerling</author>
    <author>Ute Resch-Genger</author>
    <author>Harald Tschiche</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fluorescence</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sensor</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Switch</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>pH</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BODIPY</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dye</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Probe</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synthesis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photophysics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanism</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.2 Biophotonik</collection>
    <collection role="themenfelder" number="">Umwelt</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Sensorik</collection>
  </doc>
  <doc>
    <id>51757</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>6261</pageFirst>
    <pageLast>6267</pageLast>
    <pageNumber/>
    <edition/>
    <issue>38</issue>
    <volume>22</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Investigating the role of reducing agents on mechanosynthesis of Au nanoparticles</title>
    <abstract language="eng">Control over the bottom up synthesis of metal nanoparticles (NP) depends on many experimental factors, including the choice of stabilising and reducing agents. By selectively manipulating these species, it is possible to control NP characteristics through solution-phase synthesis strategies. It is not known, however, whether NPs produced from mechanochemical syntheses are governed by the same rules. Using the Au NPs mechanosynthesis as a model system, we investigate how a series of common reducing agents affect both the reduction kinetics and size of Au NPs. It is shown that the relative effects of reducing agents on mechanochemical NP synthesis differ significantly from their role in analogous solution-phase reactions. Hence, strategies developed for control over NP growth in solution are not directly transferrable to environmentally benign mechanochemical approaches. This work demonstrates a clear need for dedicated, systematic studies on NP mechanosynthesis.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="doi">10.1039/d0ce00826e</identifier>
    <enrichment key="date_peer_review">07.12.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Paulo de Olivera</author>
    <author>Adam Michalchuk</author>
    <author>Julien Marquardt</author>
    <author>Torvid Feiler</author>
    <author>Carsten Prinz</author>
    <author>R. Torresi</author>
    <author>P. Camargo</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal nanoparicels</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>44946</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5930</pageFirst>
    <pageLast>5933</pageLast>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>57</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">In situ investigations of mechanochemical one-pot syntheses</title>
    <abstract language="eng">We present an in situ triple coupling of synchrotron X-ray diffraction with Raman spectroscopy, and thermography to study milling reactions in real time. This combination of methods allows a correlation of the structural evolution with temperature information. The temperature information is crucial for understanding both the thermodynamics and reaction kinetics. The reaction mechanisms of three prototypical mechanochemical syntheses, a cocrystal formation, a C@C bond formation (Knoevenagel condensation), and the formation&#13;
of a manganese-phosphonate, were elucidated. Trends in the temperature development during milling are identified. The heat of reaction and latent heat of crystallization of the product contribute to the overall temperature increase. A decrease in temperature occurs via release of, for example, water as a byproduct.&#13;
Solid and liquid intermediates are detected. The influence of the mechanical impact could be separated from temperature effects caused by the reaction.</abstract>
    <parentTitle language="eng">Angewandte Chemie International Edition</parentTitle>
    <identifier type="doi">10.1002/anie.201800147</identifier>
    <identifier type="issn">1433-7851</identifier>
    <identifier type="issn">1521-3773</identifier>
    <enrichment key="date_peer_review">18.05.2018</enrichment>
    <author>Hannes Kulla</author>
    <author>Sebastian Haferkamp</author>
    <author>Irina Akhmetova</author>
    <author>Mathias Röllig</author>
    <author>Christiane Maierhofer</author>
    <author>Klaus Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ studies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Raman spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray diffraction</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47200</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>650</pageFirst>
    <pageLast>658</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>149</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Development and testing of a fractionated filtration for sampling of microplastics in water</title>
    <abstract language="eng">A harmonization of sampling, sample preparation and detection is pivotal in order to obtain comparable data on microplastics (MP) in the environment. This paper develops and proposes a suitable sampling concept for waterbodies that considers different plastic specific properties and influencing factors in the environment.&#13;
Both artificial water including defined MP fractions and the discharge of a wastewater treatment plant were used to verify the derived sampling procedure, sample preparation and the subsequent analysis of MP using thermal extraction-desorption gas chromatography - mass spectrometry (TED-GC-MS).&#13;
A major finding of this paper is that an application of various particle size classes greatly improves the practical handling of the sampling equipment. Size classes also enable the TED-GC-MS to provide any data on the MP size distribution, a substantial sampling property affecting both the necessary sampling volume and the optimal sampling depth.&#13;
In the artificial water with defined MP fractions, the recovery rates ranged from 80 to 110%, depending on the different MP types and MP size classes. In the treated wastewater, we found both Polyethylene and polystyrene in different size classes and quantities.</abstract>
    <parentTitle language="eng">Water Reseach</parentTitle>
    <identifier type="doi">10.1016/j.watres.2018.10.045</identifier>
    <identifier type="issn">0043-1354</identifier>
    <enrichment key="date_peer_review">21.01.2019</enrichment>
    <author>Ulrike Braun</author>
    <author>C.G. Bannick</author>
    <author>R. Szewzyk</author>
    <author>M. Ricking</author>
    <author>S. Schniegler</author>
    <author>N. Obermaier</author>
    <author>A. K. Barthel</author>
    <author>Korinna Altmann</author>
    <author>Paul Eisentraut</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microplastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sampling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sampling techniques</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Water</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>42261</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>12574</pageFirst>
    <pageLast>12587</pageLast>
    <pageNumber/>
    <edition/>
    <issue>37</issue>
    <volume>46</volume>
    <type>article</type>
    <publisherName>The Royal Society of Chemistry</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Strontium-coordination polymers based on tetraﬂuorophthalic and phthalic acids: mechanochemical synthesis, ab initio structures determination, and spectroscopic characterization</title>
    <abstract language="eng">Two strontium-based dicarboxylate systems [Sr(oBDC-F4)(H2O)2] (1) and [{Sr(oBDC)(H2O)2)·H2O] (2) were synthesized mechanochemically via milling of Sr(OH)2·8H2O with tetraﬂuorophthalic acid (H2oBDC-F4) or phthalic acid (H2oBDC), respectively. The new structures were determined ab initio from the powder X-ray diﬀraction (PXRD) data. Both compounds 1 and 2 crystallize in the monoclinic space group P21 /c as two-dimensional coordination polymers (2D-CPs). The determined structures were validated by extended X-ray absorption (EXAFS) data. Compounds 1 and 2 show diﬀerent thermal stabilities. The ﬂuorinated CP 1 is decomposed at 300 °C while the nonﬂuorinated CP 2 transforms into a new phase after thermal treatment at 400 °C. The two hydrated CPs exhibit small surface areas which increase after the thermal posttreatment for 1 but remains unchanged for the dehydrated sample of 2. Dynamic vapor sorption (DVS) experiments indicate that both the dehydrated and hydrated samples of 2 depict no signiﬁcant diﬀerences in their adsorption isotherms. The DVS of water indicates that the phase transition after thermal posttreatment of 2 is irreversible.</abstract>
    <parentTitle language="eng">Dalton transactions</parentTitle>
    <identifier type="doi">10.1039/c7dt02564e</identifier>
    <identifier type="issn">1477-9226</identifier>
    <identifier type="issn">1477-9234</identifier>
    <enrichment key="date_peer_review">04.10.2017</enrichment>
    <author>Abdal-Azim Al-Terkawi</author>
    <author>G. Scholz</author>
    <author>Franziska Emmerling</author>
    <author>E. Kemnitz</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>NMR</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>57366</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5175</pageFirst>
    <pageLast>5183</pageLast>
    <pageNumber/>
    <edition/>
    <issue>13</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Optimizing the Green Synthesis of ZIF-8 by Reactive Extrusion Using In Situ Raman Spectroscopy</title>
    <abstract language="eng">We report the scale-up of a batch solid synthesis of zeolitic imidazolate framework-8 (ZIF-8) for reactive extrusion. The crystalline product forms in the extruder directly under the mixture of solid 2-methylimidazole and basic zinc carbonate in the presence of a catalytic amount of liquid. The process parameters such as temperature, liquid type, feeding rate, and linker excess were optimized using the setup specifically designed for in situ Raman spectroscopy. Highly crystalline ZIF-8 with a Brunauer–Emmett–Teller (BET) surface area of 1816 m2 g–1 was quantitatively prepared at mild temperature using a catalytic amount of ethanol and a small excess of the linker. Finally, we developed a simple and comprehensive approach to evaluating the environmental friendliness and scalability of metal–organic framework (MOF) syntheses in view of their large-scale production.</abstract>
    <parentTitle language="eng">ACS Sustainable Chemistry &amp; Engineering</parentTitle>
    <identifier type="doi">10.1021/acssuschemeng.2c07509</identifier>
    <identifier type="issn">2168-0485</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.04.2023</enrichment>
    <enrichment key="PaperofMonth">1</enrichment>
    <author>Nikita Gugin</author>
    <author>José Antonio Villajos Collado</author>
    <author>O. Dautain</author>
    <author>Michael Maiwald</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ Raman</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Large-scale processing</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal−organic frameworks</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Twin-screw extrusion (TSE)</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.4 Non-Target-Analytik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>54071</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>14390</pageFirst>
    <pageLast>14397</pageLast>
    <pageNumber/>
    <edition/>
    <issue>49</issue>
    <volume>37</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Effect of Perfluorinated Side-Chain Length on the Morphology, Hydrophobicity, and Stability of Xerogel Coatings</title>
    <abstract language="eng">Superhydrophobic surfaces can be quickly formed with supramolecular materials. Incorporating low-molecular-weight gelators (LMWGs) with perfluorinated chains generates xerogel coatings with low surface energies and high roughness. Here, we examine and compare the properties of the xerogel coatings formed with eight different LMWGs. These LMWGs all have a trans-1,2-diamidocyclohexane core and two perfluorinated ponytails, whose lengths vary from three to ten carbon atoms (CF3 to CF10). Investigation of the xerogels aims to provide in-depth information on the chain length effect. LMWGs with a higher degree of fluorination (CF7 to CF10) form superhydrophobic xerogel coatings with very low surface energies. Scanning electron microscopy images of the coatings show that the aggregates of CF5 and CF7 are fibrous, while the others are crystal-like. Aggregates of CF10 are particularly small and further assemble into a porous structure on the micrometer scale. To test their stabilities, the xerogel coatings were flushed multiple times with a standardized water flush test. The removal of material from the surface in these flushes was monitored by a combination of the water contact angle, contact angle hysteresis, and coating thickness measurements. A new method based on image processing techniques was developed to reliably determine the change of the coating thickness. The CF7, CF9, and CF10 surfaces show consistent hydrophobicity and coating durability after repetitive flushing tests. The length of the perfluorinated side chains thus has a significant effect on the morphology of the deposited xerogel coatings, their roughness, and, in consequence, their hydrophobicity and mechanical durability.</abstract>
    <parentTitle language="eng">Langmuir</parentTitle>
    <identifier type="doi">10.1021/acs.langmuir.1c02341</identifier>
    <identifier type="issn">1520-5827</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">20.12.2021</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>P.-W. Lee</author>
    <author>T. Kaynak</author>
    <author>Dominik Al-Sabbagh</author>
    <author>Franziska Emmerling</author>
    <author>C. Schalley</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coating materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Amorphous materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hydrophobicity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Materials Stability</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>44880</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>99</pageFirst>
    <pageLast>108</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>79</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Barium coordination polymers based on fluorinated and fluorine-free benzene-dicarboxylates: Mechanochemical synthesis and spectroscopic characterization</title>
    <abstract language="eng">A series of new Ba-based coordination polymers (CPs) were mechanochemically synthesized by milling Ba-hydroxide samples with perfluorinated and fluorine-free benzene-dicarboxylic acids, including tetrafluoroisophthalic acid (H2mBDC-F4), tetrafluorophthalic acid (H2oBDC-F4), isophthalic acid (H2mBDC) and phthalic acid (H2oBDC). The new fluorinated CPs: [Ba(mBDC-F4)$0.5H2O] (1) and [Ba(oBDC-F4)·1.5H2O] (2) are compared to their nonfluorinated counterparts: [Ba(mBDC)·2.5H2O] (3), and [Ba(oBDC)·1H2O] (4). These materials are thoroughly characterized using powder X-ray diffraction. The products obtained by milling are all hydrated but vary in their water contents. Compositions and local structures are investigated by elemental analysis, thermal analysis, MAS NMR and attenuated total reflectioninfrared spectroscopy. These materials exhibit high thermal stabilities but small surface areas that remain unchanged even after thermal treatments.</abstract>
    <parentTitle language="eng">Solid state sciences</parentTitle>
    <identifier type="url">https://www.sciencedirect.com/science/article/pii/S1293255817310798</identifier>
    <identifier type="doi">10.1016/j.solidstatesciences.2018.03.013</identifier>
    <identifier type="issn">1293-2558</identifier>
    <identifier type="issn">1873-3085</identifier>
    <enrichment key="date_peer_review">14.05.2018</enrichment>
    <author>Abdal-Azim Al-Terkawi</author>
    <author>Gudrun Scholz</author>
    <author>Franziska Emmerling</author>
    <author>Erhard Kemnitz</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemical synthesis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Barium</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fluorine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coordination polymers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PXRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MAS NMR spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>46462</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>490</pageFirst>
    <pageLast>495</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>168</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The challenge in preparing particle suspensions for aquatic microplastic research</title>
    <abstract language="eng">The occurrence of small particles consisting of organic polymers, so-called microplastic (MP), in aquatic Environments attracts increasing interest in both public and science. Recent sampling campaigns in surface Waters revealed substantial numbers of particles in the size range from a few micrometers to a few millimeters. In order to validate sample preparation, identification and quantification and to investigate the behavior of MP particles and potential toxic effects on organisms, defined MP model particles are needed. Many studies use spherical compounds that probably behave differently compared to irregularly shaped MP found in environmental samples.&#13;
However, preparation and handling of MP particles are challenging tasks and have been systematically investigated in the present study. Polystyrene (PS) as a commonly found polymer with a density slightly above that of water was selected as polymer type for milling and fractionation studies. A cryogenic ball mill proved to be practical and effective to produce particles in the size range from 1 to 200 μm. The yield of small particles increased with increasing pre-cooling and milling durations. Depending on the concentration and the size, PS particles do not completely disperse in water and particles partly creep vertically up along glass walls. Stabilized MP suspensions without use of surfactants that might harm organisms are needed for toxicological studies. The stabilization of PS particle suspensions with ozone treatment reduced the wall effect and increased the number of dispersed PS particles but increased the dissolved organic carbon concentration and changed the size Distribution of the particles.</abstract>
    <parentTitle language="eng">Environmental research</parentTitle>
    <identifier type="doi">10.1016/j.envres.2018.09.008</identifier>
    <identifier type="issn">0013-9351</identifier>
    <identifier type="issn">1096-0953</identifier>
    <enrichment key="date_peer_review">05.11.2018</enrichment>
    <author>L. Eitzen</author>
    <author>S. Paul</author>
    <author>Ulrike Braun</author>
    <author>Korinna Altmann</author>
    <author>M. Jekel</author>
    <author>A. Ruhl</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reference material</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microplastic</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>44975</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>957</pageFirst>
    <pageLast>969</pageLast>
    <pageNumber/>
    <edition/>
    <issue>4</issue>
    <volume>52</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace>Berlin Heidelberg</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Sorption surfaces and energies of untreated and thermally modified wood evaluated by means of excess surface work (ESW)</title>
    <abstract language="eng">Water vapor sorption surface areas and sorption energies of untreated&#13;
and thermally modified Norway spruce [Picea abies (L.) Karst.], sycamore maple (Acer pseudoplatanus L.) and European ash (Fraxinus excelcior L.) were investigated by means of dynamic vapor sorption (DVS) measurements and excess surface work (ESW) evaluation method, respectively. Adsorption and desorption experiments in the hygroscopic range and desorption tests from water saturation were conducted.&#13;
Thermodynamically, ESW is the sum of the surface free energy and the isothermal isobaric work of sorption. From the amount adsorbed in the first Minimum a specific surface area similar to the BET surface area can be obtained. The results show that untreated spruce has a significantly higher specific water vapor Sorption surface and sorption energy compared to both hardwoods maple and ash. Thermal modification of the woods leads to a significant reduction of water vapor Sorption surface and sorption energy. The determined surface area and energy are higher in desorption direction than in adsorption direction, whereby the highest values in Desorption direction from water saturation, especially for maple and ash, were obtained.&#13;
The surface areas calculated by means of the ESW method are similar to the surface areas calculated by means of the BET method, particularly in adsorption direction.</abstract>
    <parentTitle language="eng">Wood Science and Technology</parentTitle>
    <identifier type="doi">10.1007/s00226-018-1021-2</identifier>
    <identifier type="issn">1432-5225</identifier>
    <identifier type="issn">0043-7719</identifier>
    <enrichment key="date_peer_review">05.07.2018</enrichment>
    <author>M. Zauer</author>
    <author>Carsten Prinz</author>
    <author>J. Adolphs</author>
    <author>Franziska Emmerling</author>
    <author>A. Wagenführ</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Excess surface work</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dynamic vapor sorption</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Wood</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BET</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>45672</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>13733</pageFirst>
    <pageLast>13741</pageLast>
    <pageNumber/>
    <edition/>
    <issue>19</issue>
    <volume>53</volume>
    <type>article</type>
    <publisherName>Springer Science + Business Media B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Mechanochemical synthesis of cerium(IV)-phosphonates</title>
    <abstract language="eng">The syntheses and crystal structures of two cerium(IV) phosphonates are presented. Cerium(IV) bis(phenylphosphonate) Ce(O3PC6H5)2 1 can be formed from precipitation and mechanochemical reaction, whereas cerium(IV) bis(carboxymethylphosphonate) monohydrate Ce(O3PCH2COOH)2 H2O 2 is only accessible via ball milling. All reactions proceed very fast and are completed within a short time span. In situ measurements for the syntheses of 1 show that the product occurs within seconds or a few minutes, respectively. The structures were solved from powder X-ray diffraction data.</abstract>
    <parentTitle language="eng">Journal of materials science</parentTitle>
    <identifier type="doi">10.1007/s10853-018-2507-x</identifier>
    <identifier type="issn">0022-2461</identifier>
    <identifier type="issn">1573-4803</identifier>
    <enrichment key="date_peer_review">09.08.2018</enrichment>
    <author>Manuel Wilke</author>
    <author>Irina Akhemtova</author>
    <author>K. Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ studies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>46927</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5349</pageFirst>
    <pageLast>5360</pageLast>
    <pageNumber/>
    <edition/>
    <issue>11</issue>
    <volume>15</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace>Washington, DC</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Polymorphism in simvastatin: Twinning, disorder, and enantiotropic phase transitions</title>
    <abstract language="eng">: Simvastatin is one of the most widely used active pharmaceutical ingredients for the treatment of hyperlipidemias. Because the compound is employed as a solid in drug formulations, particular attention should be given to the characterization of different polymorphs, their stability domains, and the nature of the phase transitions that relate them. In this work, the phase transitions delimiting the stability domains of three previously reported simvastatin forms were investigated from structural, energetics, and dynamical points of view based on single crystal X-ray diffraction (SCXRD), hot stage microscopy (HSM), and differential scanning calorimetry (DSC) experiments (conventional scans and heat capacity measurements), complemented with molecular dynamics (MD) simulations. Previous assignments of the crystal forms were confirmed by SCXRD: forms I and II were found to be orthorhombic (P212121, Z′/Z = 1/4) and form III was monoclinic (P21, Z′/Z = 2/4). The obtained results further indicated that (i) the transitions between different forms are observed at 235.9 ± 0.1 K (form III → form II) and at 275.2 ± 0.2 K (form II → form I) in DSC runs carried out at 10 K min−1 and close to these values when other types of techniques are used (e.g., HSM). (ii) They are enantiotropic (i.e., there is a transition temperature relating the two phases before fusion at which the stability order is reversed), fast, reversible, with very little hysteresis between heating and cooling modes, and occur under single crystal to single crystal conditions. (iii) A nucleation and growth mechanism seems to be followed since HSM experiments on single crystals evidenced the propagation of an interface, accompanied by a change of birefringence and crystal contraction or expansion (more subtle in the case of form III → form II), when the phase transitions are triggered. (iv) Consistent with the reversible and small hysteresis nature of the phase transitions, the SCXRD results indicated that the molecular packing is very similar in all forms and the main structural differences are associated with conformational changes of the “ester tail”. (v) The MD simulations further suggested that the tail is essentially “frozen” in two conformations below the III → II transition temperature, becomes progressively less hindered throughout the stability domain of form II, and acquires a large conformational freedom above the II → I transition. Finally, the fact that these transitions were found to be fast and reversible suggests that polymorphism is unlikely to be a problem for pharmaceutical formulations employing crystalline simvastatin because, if present, the III and II forms will readily convert to form I at ambient temperature.</abstract>
    <parentTitle language="eng">Molecular pharmaceutics</parentTitle>
    <identifier type="doi">10.1021/acs.molpharmaceut.8b00818</identifier>
    <identifier type="issn">1543-8384</identifier>
    <identifier type="issn">1543-8392</identifier>
    <enrichment key="date_peer_review">07.12.2018</enrichment>
    <author>R. Simoes</author>
    <author>C. Bernades</author>
    <author>A. Joseph</author>
    <author>F. Piedade</author>
    <author>Werner Kraus</author>
    <author>Franziska Emmerling</author>
    <author>H. Diogo</author>
    <author>M. da Piedade</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Twinning</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Disorder</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Simvastatine</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51819</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>6831</pageFirst>
    <pageLast>6846</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>20</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Monitoring a Mechanochemical Syntheses of Isostructural Luminescent Cocrystals of 9-Anthracenecarboxylic Acid with two Dipyridines Coformers</title>
    <abstract language="eng">Amorphous calcium carbonate (ACC) is an important precursor in the biomineralization of crystalline CaCO3. In nature, it serves as a storage material or as a permanent structural element, whose lifetime is regulated by an organic matrix. The relevance of ACC in materials science is primarily related to our understanding of CaCO3 crystallization pathways and CaCO3/(bio)polymer nanocomposites. ACC can be synthesized by liquid–liquid phase separation, and it is typically stabilized with macromolecules. We have prepared ACC by milling calcite in a planetary ball mill. Phosphate “impurities” were added in the form of monetite (CaHPO4) to substitute the carbonate anions, thereby stabilizing ACC by substitutional disorder. The phosphate anions do not simply replace the carbonate anions. They undergo shear-driven acid/base and condensation reactions, where stoichiometric (10%) phosphate contents are required for the amorphization to be complete. The phosphate anions generate a strained network that hinders ACC recrystallization kinetically. The amorphization reaction and the structure of BM-ACC were studied by quantitative Fourier transform infrared spectroscopy and solid state 31P, 13C, and 1H magic angle spinning nuclear magnetic resonance spectroscopy, which are highly sensitive to symmetry changes of the local environment. In the first—and fast—reaction step, the CO32– anions are protonated by the HPO42– groups. The formation of unprecedented hydrogen carbonate (HCO3–) and orthophosphate anions appears to be the driving force of the reaction, because the phosphate group has a higher Coulomb energy and the tetrahedral PO43– unit can fill space more efficiently. In a competing second—and slow—reaction step, pyrophosphate anions are formed in a condensation reaction. No pyrophosphates are formed at higher carbonate contents. High strain leads to such a large energy barrier that any reaction is suppressed. Our findings aid in the understanding of the mechanochemical amorphization of calcium carbonate and emphasize the effect of impurities for the stabilization of the amorphous phases in general. Our approach allowed the synthesis of new amorphous alkaline earth defect variants containing the unique HCO3– anion. Our approach outlines a general strategy to obtain new amorphous solids for a variety of carbonate/phosphate systems that offer promise as biomaterials for bone regeneration.</abstract>
    <parentTitle language="eng">Crystal Growth and Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.0c00912</identifier>
    <enrichment key="date_peer_review">14.12.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>P. Opitz</author>
    <author>M. Asta</author>
    <author>A. Fernandez-Martinez</author>
    <author>M. Panthöfer</author>
    <author>Anke Kabelitz</author>
    <author>Franziska Emmerling</author>
    <author>M. Mondeshki</author>
    <author>W. Tremel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PDF</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>40167</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1918</pageFirst>
    <pageLast>1932</pageLast>
    <pageNumber/>
    <edition/>
    <issue>4</issue>
    <volume>17</volume>
    <type>article</type>
    <publisherName>ACS</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Polymorphic phase transition in 4′-hydroxyacetophenone: Equilibrium temperature, kinetic barrier, and the relative stability of Z′=1 and Z′=2 forms</title>
    <abstract language="eng">Particularly relevant in the context of polymorphism is understanding how structural, thermodynamic, and kinetic factors dictate the stability domains of polymorphs, their tendency to interconvert through phase transitions, or their possibility to exist in metastable states. These three aspects were investigated here for two 4′-hydroxyacetophenone (HAP) polymorphs, differing in crystal system, space group, and number and conformation of molecules in the asymmetric unit. The results led to a ΔfGm°-T phase diagram highlighting the enantiotropic nature of the system and the fact that the Z′=1 polymorph is not necessarily more stable than its Z′=2 counterpart. It was also shown that the form II → form I transition is entropy driven and is likely to occur through a nucleation and growth mechanism, which does not involve intermediate phases, and is characterized by a high activation energy. Finally, although it has been noted that conflicts between hydrogen bond formation and close packing are usually behind exceptions from the hypothesis of Z′=1 forms being more stable than their higher Z′ analogues, in this case, the HAP polymorph with stronger hydrogen bonds (Z′=2) is also the one with higher density.</abstract>
    <parentTitle language="eng">Crystal Growth &amp; Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.6b01876</identifier>
    <identifier type="issn">1528-7483</identifier>
    <identifier type="issn">1528-7505</identifier>
    <enrichment key="date_peer_review">11.05.2017</enrichment>
    <author>A. Joseph</author>
    <author>C. E. S. Bernardes</author>
    <author>A. I. Druzhinina</author>
    <author>R. M. Varushchenko</author>
    <author>Thi Yen Nguyen</author>
    <author>Franziska Emmerling</author>
    <author>L. Yuan</author>
    <author>V. Dupray</author>
    <author>G. Coquerel</author>
    <author>M. E. Minas da Piedade</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphic transition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>4'-hydroxyacetophenone</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>58709</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1618</pageFirst>
    <pageLast>1629</pageLast>
    <pageNumber/>
    <edition/>
    <issue>6</issue>
    <volume>56</volume>
    <type>article</type>
    <publisherName>Wiley-Blackwell</publisherName>
    <publisherPlace>Oxford</publisherPlace>
    <creatingCorporation>International Union of Crystallography (IUCr)</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The human factor - Results of a small-angle scattering data analysis round robin</title>
    <abstract language="eng">A round-robin study has been carried out to estimate the impact of the human element in small-angle scattering data analysis. Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples containing spherical scatterers, with two datasets in dilute dispersions and two from powders. Most of the 46 participants correctly identified the number of populations in the dilute dispersions, with half of the population mean entries within 1.5% and half of the population width entries within 40%. Due to the added complexity of the structure factor, far fewer people submitted answers on the powder datasets. For those that did, half of the entries for the means and widths were within 44 and 86%, respectively. This round-robin experiment highlights several causes for the discrepancies, for which solutions are proposed.</abstract>
    <parentTitle language="eng">Journal of applied crystallography</parentTitle>
    <identifier type="doi">10.1107/S1600576723008324</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-587091</identifier>
    <identifier type="issn">1600-5767</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
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Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples containing spherical scatterers, with two datasets in dilute dispersions and two from powders. Most of the 46 participants correctly identified the number of populations in the dilute dispersions, with half of the population mean entries within 1.5% and half of the population width entries within 40%. Due to the added complexity of the structure factor, far fewer people submitted answers on the powder datasets. For those that did, half of the entries for the means and widths were within 44 and 86%, respectively. 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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Brian Richard Pauw</author>
    <author>Glen Jacob Smales</author>
    <author>A. S. Anker</author>
    <author>V. Annadurai</author>
    <author>D. M. Balazs</author>
    <author>Ralf Bienert</author>
    <author>W. G. Bouwman</author>
    <author>Ingo Breßler</author>
    <author>J. Breternitz</author>
    <author>E. S. Brok</author>
    <author>G. Bryant</author>
    <author>A. J. Clulow</author>
    <author>E. R. Crater</author>
    <author>F. De Geuser</author>
    <author>A. Del Giudice</author>
    <author>J. Deumer</author>
    <author>S. Disch</author>
    <author>S. Dutt</author>
    <author>K. Frank</author>
    <author>E. Fratini</author>
    <author>P. R. A. F. Garcia</author>
    <author>E. P. Gilbert</author>
    <author>Marc Benjamin Hahn</author>
    <author>J. Hallett</author>
    <author>M. Hohenschutz</author>
    <author>M. Hollamby</author>
    <author>S. Huband</author>
    <author>J. Ilavsky</author>
    <author>J. K. Jochum</author>
    <author>M. Juelsholt</author>
    <author>B. W. Mansel</author>
    <author>P. Penttilä</author>
    <author>R. K. Pittkowski</author>
    <author>G. Portale</author>
    <author>L. D. Pozzo</author>
    <author>L. Rochels</author>
    <author>Julian Rosalie</author>
    <author>Patrick E. J. Saloga</author>
    <author>S. Seibt</author>
    <author>A. J. Smith</author>
    <author>G. N. Smith</author>
    <author>G. A. Spiering</author>
    <author>Tomasz M. Stawski</author>
    <author>O. Taché</author>
    <author>Andreas Thünemann</author>
    <author>K. Toth</author>
    <author>A. E. Whitten</author>
    <author>J. Wuttke</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Round Robin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Data analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Small-angle scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanomaterials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Interlaboratory comparability</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanostructure quantification</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Methodology</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MOUSE</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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    <id>54407</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>6961</pageFirst>
    <pageLast>6970</pageLast>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>21</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
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    <belongsToBibliography>1</belongsToBibliography>
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    <title language="eng">Carbamazepine Dihydroxybenzoic Acid Cocrystals: Exploring Packing Interactions and Reaction Kinetics</title>
    <abstract language="deu">Herein, we present the mechanochemical formation of three new cocrystals containing the active pharmaceutical ingredient carbamazepine and dihydroxybenzoic acids as coformers (CBZ:2,4-DHBA 1:1, CBZ:2,5-DHBA 1:1, and CBZ:2,6-DHBA 1:1). Rietveld methods were used for three different purposes: (i) refining all structures solved using powder X-ray diffraction, (ii) performing a quantitative phase analysis of the diffraction data collected from ex situ mechanochemical reactions at different milling times, and (iii) determining the cocrystallization kinetic profiles. The rate of cocrystallization was found to be higher for the formation of CBZ:2,4-DHBA and CBZ:2,6-DHBA, reaching an equilibrium after 600 s of milling. In the case of CBZ:2,5-DHBA a short induction period of 20 s was detected prior to the start of the reaction and an equilibrium was reached after 1200 s. An empirical trend between the rate of cocrystallization and the structural complexity of the cocrystal product was found. The slowest cocrystallization rate observed for CBZ:2,5-DHBA corresponds to the crystal structure deviating substantially from the hydrogen-bonding motif found in the reactants.</abstract>
    <parentTitle language="deu">Crystal Growth and Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.1c00902</identifier>
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    <author>Franziska Emmerling</author>
    <author>Ines Martins</author>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>In situ real-time monitoring</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Kinetics</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
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    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>54356</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>8</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>1252</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Different mechanical responses of dimorphic forms of Anthracene Schiffbase crystal</title>
    <abstract language="eng">We obtained concomitant dimorphic forms of Anthracene Schiffbase (N-(anthracen-9-yl methylene)-2,5- dichloroaniline) from hexane solvent. Two polymorphs can be differentiated by their morphology and mechanical properties. One form is long acicular type and elastically bendable while another form is block shaped and brittle in nature. Mechanical property is attributed to underlying crystal packing. Hirsh- feld analysis and energy framework calculations were done to corroborate structure-property correlation of two forms.</abstract>
    <parentTitle language="eng">Journal of Molecular Structure</parentTitle>
    <identifier type="doi">10.1016/j.molstruc.2021.132182</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">16.02.2022</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>M. Lakshmipathi</author>
    <author>S. Tothadi</author>
    <author>Franziska Emmerling</author>
    <author>Biswajit Bhattacharya</author>
    <author>S. Ghosh</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elasticity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanical properties</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Anthracene schiff base</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dimorphs</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>54344</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1292</pageFirst>
    <pageLast>1298</pageLast>
    <pageNumber/>
    <edition/>
    <issue>6</issue>
    <volume>24</volume>
    <type>article</type>
    <publisherName>RSC</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Too much water? Not enough? In situ monitoring of the mechanochemical reaction of copper salts with dicyandiamide</title>
    <abstract language="eng">n situ monitoring of mechanochemical reactions between dicyandiamide (DCD) and CuX2 salts (X = Cl−, NO3−), for the preparation of compounds of agrochemical interest, showed the appearance of a number of phases. It is demonstrated that milling conditions, such as the amount of water added in wet grinding and/or the milling frequency, may affect the course of the mechanochemical reactions, and drive the reaction towards the formation of different products. It has been possible to discover by in situ monitored experiments two novel crystalline forms, namely the neutral complexes [Cu(DCD)2(OH2)2(NO3)2] (2) and [Cu(DCD)2(OH2)Cl2]·H2O (4), in addition to the previously known molecular salt [Cu(DCD)2(OH2)2][NO3]2·2H2O (1, DIVWAG) and neutral complex [Cu(DCD)2(OH2)Cl2] (3, AQCYCU), for which no synthesis conditions were available. Compounds 2 and 4 were fully characterized via a combination of solid-state techniques, including X-ray diffraction, Raman spectroscopy and TGA.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="doi">10.1039/d1ce01670a</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">16.02.2022</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>C. Casali</author>
    <author>Torvid Feiler</author>
    <author>Maria Heilmann</author>
    <author>D. Braga</author>
    <author>Franziska Emmerling</author>
    <author>F. Grepioni</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>57823</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4810</pageFirst>
    <pageLast>4818</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>95</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Exploring the Depths of Corrosion: A Novel GE-XANES Technique for Investigating Compositionally Complex Alloys</title>
    <abstract language="eng">In this study, we propose the use of nondestructive, depth-resolved, element-specific characterization using grazing exit X-ray absorption near-edge structure spectroscopy (GE-XANES) to investigate the corrosion process in compositionally complex alloys (CCAs). By combining grazing exit X-ray fluorescence spectroscopy (GE-XRF) geometry and a pnCCD detector, we provide a scanning-free, nondestructive, depth-resolved analysis in a sub-micrometer depth range, which is especially relevant for layered materials, such as corroded CCAs. Our setup allows for spatial and energy-resolved measurements and directly extracts the desired fluorescence line, free from scattering events and other overlapping lines. We demonstrate the potential of our approach on a compositionally complex CrCoNi alloy and a layered reference sample with known composition and specific layer thickness. Our findings indicate that this new GE-XANES approach has exciting opportunities for studying surface catalysis and corrosion processes in real-world materials.</abstract>
    <parentTitle language="eng">Analytical Chemistry</parentTitle>
    <identifier type="doi">10.1021/acs.analchem.3c00404</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">03.07.2023</enrichment>
    <author>Cafer Tufan Cakir</author>
    <author>T. Piotrowiak</author>
    <author>Uwe Reinholz</author>
    <author>A. Ludwig</author>
    <author>Franziska Emmerling</author>
    <author>C. Streli</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Martin Radtke</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Degradation mechanisms</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grazin exit XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Depth resolved XANES</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Compositional complex alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Corrosion</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Degradationsmechanismen</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>36676</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>198</pageFirst>
    <pageLast>207</pageLast>
    <pageNumber/>
    <edition/>
    <issue>158</issue>
    <volume/>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace>Amsterdam, Netherlands</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Structural considerations on the selectivity of an immunoassay for sulfamethoxazole</title>
    <abstract language="eng">Sulfamethoxazol (SMX),a sulfonamide, is a widely used bacteriostatic antibiotic and therefore a promising marker for the entry of anthropogenic Pollution in the environment. SMX is frequently found in wastewater and surface water. This study presents the production of high affinity and selective polyclonal antibodies for SMX and the development and Evaluation of a direct competitive enzyme-linked immunosorbent assay(ELISA)for the quantification of SMX in environmental watersamples. The crystal structures of the cross-reacting compounds sulfamethizole, N4-acetyl-SMX andsuccinimidyl-SMX were determined by x-ray diffraction aiming to explain their high cross-reactivity. These crystal structures are described for the first time. The quantification range of the ELISA is 0.82–63 µg/L. To verify our results, the SMX concentration in 20 environmental samples,including wastewater and surfacewater,was determined by ELISA and tandem mass spectrometry(MS/MS).A good Agreement of the measured SMX concentrations was found with average recoveries of 97–113%for the results of ELISA compared to LC-MS/MS.</abstract>
    <parentTitle language="eng">Talanta</parentTitle>
    <identifier type="doi">10.1016/j.talanta.2016.05.049</identifier>
    <identifier type="issn">0039-9140</identifier>
    <identifier type="issn">1873-3573</identifier>
    <enrichment key="date_peer_review">05.08.2016</enrichment>
    <author>Holger Hoffmann</author>
    <author>Stefanie Baldofski</author>
    <author>Kristin Hoffmann</author>
    <author>Sabine Flemig</author>
    <author>C. P. Silva</author>
    <author>V. I. Esteves</author>
    <author>Franziska Emmerling</author>
    <author>Ulrich Panne</author>
    <author>Rudolf Schneider</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-Ray diffraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sulfamethoxazole</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ELISA</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>LC-MS/MS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>47903</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2979</pageFirst>
    <pageLast>2990</pageLast>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>19</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Solid Forms of Ciprofloxacin Salicylate: Polymorphism, Formation Pathways, and Thermodynamic Stability</title>
    <abstract language="eng">The crystallization of ciprofloxacin - an antibacterial fluoroquinolone compound - with salicylic acid resulted in the isolation of five distinct solid forms of the drug, namely, an anhydrous salt, two polymorphic forms of the salt monohydrate, methanol and acetonitrile solvates, and the salt-cocrystal hydrate. The salicylate salts were investigated by different analytical techniques ranging from powder and single crystal X-ray diffractometry, differential scanning calorimetry, thermogravimetric analysis, variable temperature powder X-ray diffraction, dynamic vapor sorption analysis, dissolution, and solubility investigations. Real-time in situ Raman spectroscopy was used to investigate the mechanochemical formation pathways of the different solid polymorphs of ciprofloxacin salicylate. The mechanism of the phase transformation between the crystalline forms was evaluated under mechanochemical conditions. It was found that the formation pathway and kinetics of the grinding process depend on the form of the starting material and reaction conditions. The analysis of the solid-state thermal evolution of the hydrated salts revealed the two-step mechanism of dehydration process, which proceeds through a formation of the distinct intermediate crystalline products.</abstract>
    <parentTitle language="eng">Crystal Growth &amp; Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.9b00185</identifier>
    <identifier type="issn">1528-7483</identifier>
    <enrichment key="date_peer_review">23.05.2019</enrichment>
    <author>Artem O. Surov</author>
    <author>Nikita A. Vasilev</author>
    <author>Andrei V. Churakov</author>
    <author>Julia Stroh</author>
    <author>Franziska Emmerling</author>
    <author>German L. Perlovich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cocrystal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ciprofloxacin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>DSC</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>53663</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4665</pageFirst>
    <pageLast>4673</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>21</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Real-Time In situ XRD Study of Simvastatin Crystallization in Levitated Droplets</title>
    <abstract language="eng">Simvastatin (SV) is an important active pharmaceutical ingredient (API) for treatment of hyperlipidemias, which is known to exist in different crystalline and amorphous phases. It is, therefore, an interesting model to investigate how the outcome of evaporative crystallization in the contactless environment of an acoustically levitated droplet may be influenced by key experimental conditions, such as temperature, solvent properties (e.g., polarity and hygroscopicity), and dynamics of the evaporation process. Here, we describe a real-time and in situ study of simvastatin evaporative crystallization from droplets of three solvents that differ in volatility, polarity, and protic character (acetone, ethanol, and ethyl acetate). The droplet monitorization relied on synchrotron X-ray diffraction (XRD), Raman spectroscopy, imaging, and thermographic analysis. A pronounced solvent-dependent behavior was observed. In ethanol, a simvastatin amorphous gel-like material was produced, which showed no tendency for crystallization over time; in ethyl acetate, a glassy material was formed, which crystallized on storage over a two-week period to yield simvastatin form I; and in acetone, form I crystallized upon solvent evaporation without any evident presence of a stable amorphous intermediate. The XRD and Raman results further suggested that the persistent amorphous phase obtained from ethanol and the amorphous precrystallization intermediate formed in ethyl acetate were similar. Thermographic analysis indicated that the evaporation process was accompanied by a considerable temperature decrease of the droplet surface, whose magnitude and rate correlated with the solvent volatility (acetone &gt; ethyl acetate &gt; ethanol). The combined thermographic and XRD results also suggested that, as the cooling effect increased, so did the amount of residual water (most likely captured from the atmosphere) remaining in the droplet after the organic solvent was lost. Finally, the interpretation of the water fingerprint in the XRD time profiles was aided by molecular dynamics simulations, which also provided insights into the possible role of H2O as an antisolvent that facilitates simvastatin crystallization.</abstract>
    <parentTitle language="eng">Crystal Growth &amp; Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.1c00509</identifier>
    <identifier type="issn">1528-7483</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">03.11.2021</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Maria Heilmann</author>
    <author>R. G. Simões</author>
    <author>C. E. S. Bernardes</author>
    <author>Yen Ramisch</author>
    <author>Ralf Bienert</author>
    <author>Matthias Röllig</author>
    <author>Franziska Emmerling</author>
    <author>M. E. Minas da Piedade</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Simvastatin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In-situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>API</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
  </doc>
  <doc>
    <id>56240</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>111</pageFirst>
    <pageLast>113</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>conferenceobject</type>
    <publisherName>Springer</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Microplastic detection and analysis in water samples</title>
    <abstract language="eng">Microplastic detection in water samples becomes important for tracing microplastic sources. Microplastic may harm desalination facilities by blocking filters and disturbing the marine food chain. Thermo analytical methods such as pyrolysis gas chromatography mass spectroscopy, and spectroscopic methods like (micro) Raman spectroscopy or (micro) Fouriertransform infrared spectroscopy in combination with appropriate filters and sample preparation are suitable for analyzing microplastics on a scale from 1 µm to 1000 µm fast and unambiguous. While the thermo analytical methods are suitable for larger sample volumes, Raman spectroscopy and Fouriertransform infrared spectroscopy are able to detect and analyze single microplastic particles for instance in bottled water. Machine learning algorithms ensure a reliable classification of different plastic materials.</abstract>
    <parentTitle language="eng">Sustainable Energy-Water-Environment Nexus in Deserts</parentTitle>
    <enrichment key="eventName">International Conference on Sustainable Energy-Water-Environment Nexus in Desert Climate 2019</enrichment>
    <enrichment key="eventPlace">Ar-Rayyan, Qatar</enrichment>
    <enrichment key="eventStart">02.12.2019</enrichment>
    <enrichment key="eventEnd">05.12.2019</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">14.11.2022</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>J. Bauer</author>
    <author>P.-T. Miclea</author>
    <author>U. Braun</author>
    <author>Korinna Altmann</author>
    <author>M. Turek</author>
    <author>C. Hagendorf</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microplastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Water samples</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Umwelt</collection>
    <collection role="themenfelder" number="">Umwelt-Material-Interaktionen</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Degradationsmechanismen</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Graue Literatur</collection>
  </doc>
  <doc>
    <id>42235</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>S193</pageFirst>
    <pageLast>S200</pageLast>
    <pageNumber/>
    <edition/>
    <issue>S1</issue>
    <volume>32</volume>
    <type>article</type>
    <publisherName>JCPDS-ICDD</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Nanocrystalline and stacking-disordered beta-cristobalite AlPO4 chemically stabilized at room temperature: synthesis, physical characterization, and X-ray powder diffraction data</title>
    <abstract language="eng">This paper reports the first successful synthesis and the structural characterization of nanocrystalline and stacking-disordered β-cristobalite AlPO4 that is chemically stabilized down to room temperature and free of crystalline impurity phases. Several batches of the title compound were synthesized and thoroughly characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy, selected area electron diffraction, energy dispersive X-ray spectroscopy mapping in SEM, solid-state 31P nuclear magnetic resonance (31P-NMR) spectroscopy including the TRAPDOR method, differential thermal analysis (DTA), gas-sorption methods, optical Emission spectroscopy, X-ray fluorescence spectroscopy, and ion chromatography. Parameters that are critical for the synthesis were identified and optimized. The synthesis procedure yields reproducible results and is well documented. A high-quality XRD pattern of the title compound is presented, which was collected with monochromatic copper radiation at room temperature in a wide 2θ range of 5°–100°.</abstract>
    <parentTitle language="eng">Powder Diffraction</parentTitle>
    <identifier type="doi">10.1017/S0885715617000537</identifier>
    <identifier type="issn">1945-7413</identifier>
    <identifier type="issn">0885-7156</identifier>
    <enrichment key="date_peer_review">29.09.2017</enrichment>
    <author>Burkhard Peplinski</author>
    <author>Burkart Adamczyk</author>
    <author>P. Formanek</author>
    <author>Christian Meyer</author>
    <author>O. Krüger</author>
    <author>Holger Scharf</author>
    <author>Stefan Reinsch</author>
    <author>Markus Ostermann</author>
    <author>Marianne Nofz</author>
    <author>Christian Jäger</author>
    <author>Christian Adam</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Stabilization of high-temperature phase at RT</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanochrystalline AlPO4</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Beta-christobalite structure type</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-cristobalite form</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aluminium phosphate</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>57356</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>John Wiley &amp; Sons, Ltd</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Impedimetric sensors based on diethylphosphonate-containingpoly(arylene ether nitrile)s films for the detection of lead ions</title>
    <abstract language="eng">This article describes the elaboration and characterization of diethylphosphonate-containing polymers coated electrodes as sensors for the detection of heavy metalstraces, by electrochemical impedance spectroscopy. Diethylphosphonate groupswere chosen as heavy metals binding sites. Two different series of polymers bearingthese anchoring groups were synthesized. Whereas the diethylphosphonate groupsare directly incorporated in the aromatic macromolecular chain in some polymers, analiphatic spacer is removing the chelating site from the polymer backbone in others.The influence of the macromolecular structure on the sensing response was studied,especially for the detection of Pb2+,Ni2+,Cd2+and Hg2+. Polymer P6, including thehigher amount of diethylphosphonate groups removed from the polymer chain by ashort alkyl spacer gave the higher sensitivity of detection of lead ions, with a detec-tion limit of 50 pM</abstract>
    <parentTitle language="eng">Polymers for Advanced Technologies</parentTitle>
    <identifier type="doi">10.1002/pat.6065</identifier>
    <identifier type="issn">1042-7147</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">15.05.2023</enrichment>
    <author>T. Chabbah</author>
    <author>S. Chatti</author>
    <author>N. Jaffrezic-Renault</author>
    <author>Steffen Weidner</author>
    <author>C. Marestin</author>
    <author>R. Mercier</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Heavy metals</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phosphonate esters</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lead ions</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI TOF MS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>65670</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>10255</pageFirst>
    <pageLast>10260</pageLast>
    <pageNumber/>
    <edition/>
    <issue>11</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Aroyl-S,N-ketene acetal-triarylamine bichromophores – intramolecular energy transfer and dual emission upon induced aggregation and encapsulation</title>
    <abstract language="eng">Aroyl-S,N-ketene acetal-based bichromophores are synthesized by a catalytic aryl amination and their photophysics are studied in the solid state, in ethanol–water mixtures inducing aggregation, and after encapsulation in polystyrene nanoparticles. The dye substitution pattern controls aggregation-induced emission and intramolecular energy transfer efficiency, resulting in single-band or dual fluorescence and a strong increase in fluorescence quantum yield upon particle encapsulation.</abstract>
    <parentTitle language="eng">RSC Advances</parentTitle>
    <identifier type="issn">2046-2069</identifier>
    <identifier type="doi">10.1039/d5ra09361a</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-656700</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
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    <enrichment key="local_doiImportPopulated">PersonAuthorFirstName_1,PersonAuthorLastName_1,PersonAuthorFirstName_2,PersonAuthorLastName_2,PersonAuthorIdentifierOrcid_2,PersonAuthorFirstName_3,PersonAuthorLastName_3,PersonAuthorIdentifierOrcid_3,PersonAuthorFirstName_4,PersonAuthorLastName_4,PersonAuthorFirstName_5,PersonAuthorLastName_5,PersonAuthorIdentifierOrcid_5,PersonAuthorFirstName_6,PersonAuthorLastName_6,PersonAuthorFirstName_7,PersonAuthorLastName_7,PersonAuthorIdentifierOrcid_7,PersonAuthorFirstName_8,PersonAuthorLastName_8,PersonAuthorIdentifierOrcid_8,PublisherName,TitleMain_1,Language,TitleAbstract_1,TitleParent_1,PageFirst,PageLast,Issue,Volume,PublishedYear,IdentifierIssn,Enrichmentlocal_crossrefLicence</enrichment>
    <enrichment key="opus.source">doi-import</enrichment>
    <enrichment key="date_peer_review">16.03.2026</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Abdelouahad El Abbassi</author>
    <author>Julius Krenzer</author>
    <author>Eugene P. Petrov</author>
    <author>Lukas Biesen</author>
    <author>Vera Vasylyeva</author>
    <author>Sarah Merzenich</author>
    <author>Ute Resch-Genger</author>
    <author>Thomas J. J. Müller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fluorescence</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dye</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aggregation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photophysics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Enhancement</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>White light emission</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Energy transfer</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quantum yield</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.2 Biophotonik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65670/Aroyl-S N-ketene acetal-triarylamine bichromophores.pdf</file>
  </doc>
  <doc>
    <id>65703</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>16</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>MDPI AG</publisherName>
    <publisherPlace>Basle, Switzerland</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Simplified Sample Preparation and Lateral Flow Immunoassay for the Detection of Plant Viruses</title>
    <abstract language="eng">Lateral flow immunoassays (LFAs) are widely used for on-site testing; however, their use for the rapid detection of plant viruses in the field is often limited by inconvenient sample preparation. Here, we present a new sampling method and a simplified dipstick LFA format for the detection and monitoring of cowpea chlorotic mottle virus (CCMV) as a model plant pathogen. The assay employs a monoclonal mouse antibody for capture and a poly-clonal rabbit antibody conjugated to 80 nm gold nanoparticles for detection. Conventional sample and conjugate pads are omitted, allowing the test strips to be dipped directly into wells containing plant extract and antibody–gold conjugate. No plastic casing was required, which could lead to a reduction in waste. It was shown that CCMV concentrations as low as 3.5 µg/L or 350 pg per sample could be reliably detected in 15 min. Specificity tests confirmed that other plant viruses, cowpea mosaic virus (CPMV) and tobacco mosaic virus (TMV), did not produce false-positive results. In addition, we describe a new method for on-site sampling using a manual punch and a syringe equipped with a frit. This step combines grinding the sample, extraction, filtration, and reconstitution and mixing of the antibody-gold conjugate, enabling the analysis of punched leaf disks without laboratory equipment. When applied to CCMV-infected cowpea plants, the assay revealed systemic infection before visual symptoms became apparent. This work demonstrates that simplified LFAs combined with innovative sampling techniques can provide sensitive, specific, and rapid diagnostics for crop monitoring and support early intervention strategies in agriculture.</abstract>
    <abstract language="deu">Lateral-Flow-Immunoassays (LFAs) werden häufig für Vor-Ort-Tests eingesetzt; ihr Einsatz zum schnellen Nachweis von Pflanzenviren im Feld wird jedoch oft durch eine umständliche Probenvorbereitung eingeschränkt. Hier stellen wir eine neue Probenahmemethode und ein vereinfachtes Dipstick-LFA-Format zum Nachweis und zur Überwachung des Cowpea Chlorotic Mottle Virus (CCMV) als Modellpflanzenpathogen vor. Der Test verwendet einen monoklonalen Maus-Antikörper zur Bindung und einen polyklonalen Kaninchen-Antikörper, der an 80-nm-Goldnanopartikel konjugiert ist, zum Nachweis. Herkömmliche Proben- und Konjugatpads entfallen, sodass die Teststreifen direkt in Vertiefungen getaucht werden können, die Pflanzenextrakt und das Antikörper-Gold-Konjugat enthalten. Es ist keine Kunststoffhülle erforderlich, was zu einer Reduzierung des Abfallaufkommens führen könnte. Es zeigte sich, dass CCMV-Konzentrationen von nur 3,5 µg/L oder 350 pg pro Probe innerhalb von 15 Minuten zuverlässig nachgewiesen werden konnten. Spezifitätstests bestätigten, dass andere Pflanzenviren, das Cowpea Mosaic Virus (CPMV) und das Tobacco Mosaic Virus (TMV), keine falsch-positiven Ergebnisse lieferten. Darüber hinaus beschreiben wir eine neue Methode zur Probenahme vor Ort unter Verwendung eines manuellen Lochers und einer mit einer Fritte ausgestatteten Spritze. Dieser Schritt kombiniert das Zerkleinern der Probe, die Extraktion, die Filtration sowie die Rekonstitution und das Mischen des Antikörper-Gold-Konjugats und ermöglicht so die Analyse der ausgestanzten Blattscheiben ohne Laborausrüstung. Bei der Anwendung an mit CCMV infizierten Augenbohnenpflanzen zeigte der Assay eine systemische Infektion, bevor visuelle Symptome erkennbar wurden. Diese Arbeit zeigt, dass vereinfachte LFAs in Kombination mit innovativen Probenahmetechniken eine sensitive, spezifische und schnelle Diagnostik für die Pflanzenüberwachung bieten und Strategien zur frühzeitigen Intervention in der Landwirtschaft unterstützen können.</abstract>
    <parentTitle language="eng">Biosensors</parentTitle>
    <identifier type="issn">2079-6374</identifier>
    <identifier type="doi">10.3390/bios16020100</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-657039</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="local_crossrefLicence">https://creativecommons.org/licenses/by/4.0/</enrichment>
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    <enrichment key="local_doiImportPopulated">PersonAuthorFirstName_1,PersonAuthorLastName_1,PersonAuthorFirstName_2,PersonAuthorLastName_2,PersonAuthorIdentifierOrcid_2,PersonAuthorFirstName_3,PersonAuthorLastName_3,PersonAuthorIdentifierOrcid_3,PersonAuthorFirstName_4,PersonAuthorLastName_4,PersonAuthorFirstName_5,PersonAuthorLastName_5,PersonAuthorIdentifierOrcid_5,PersonAuthorFirstName_6,PersonAuthorLastName_6,PersonAuthorFirstName_7,PersonAuthorLastName_7,PersonAuthorFirstName_8,PersonAuthorLastName_8,PersonAuthorFirstName_9,PersonAuthorLastName_9,PersonAuthorIdentifierOrcid_9,PublisherName,TitleMain_1,Language,TitleAbstract_1,TitleParent_1,ArticleNumber,Issue,Volume,PublishedYear,IdentifierIssn,Enrichmentlocal_crossrefLicence</enrichment>
    <enrichment key="opus.source">doi-import</enrichment>
    <enrichment key="date_peer_review">19.03.2026</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Robert Tannenberg</author>
    <author>Georg Tscheuschner</author>
    <author>Christopher Raab</author>
    <author>Sabine Flemig</author>
    <author>Sarah Döring</author>
    <author>Marco Ponader</author>
    <author>Melinda Thurmann</author>
    <author>Martin Paul</author>
    <author>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Point-of-care diagnostics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dipstick immunoassay</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pre-symptomatic detection</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Precision agriculture</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Integrated pest management</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crop health monitoring</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.5 Proteinanalytik</collection>
    <collection role="institutes" number="">1.8 Umweltanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65703/Tannenberg-2026-Biosensors.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/65703/Tannenberg-2026-Biosensors supplement.pdf</file>
  </doc>
  <doc>
    <id>65723</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>17</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Springer-Verlag GmbH</publisherName>
    <publisherPlace>Heidelberg</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Characterization and quantitation of urinary metabolites of 3-monochloropropane-1,2-diol (3-MCPD) in rats</title>
    <abstract language="eng">Fatty acid esters of 3-monochloropropane-1,2-diol (3-MCPD) are heat-induced contaminants formed from fats and sodium chloride. The mode of action for the 3-MCPD mediated induction of renal tubule neoplasms in rats is still unclear, which is in part due to lacking metabolism data. In the current study, urinary metabolites were identified by one- and two-dimensional 13C nuclear magnetic resonance spectroscopy and high-resolution mass spectrometry following oral administration of 3-MCPD or [13C3]3-MCPD in rats. In addition to 3-MCPD itself, nine metabolites were identified. Four of those, N-acetyl-S-(2,3-dihydroxypropyl)cysteine (DHPMA), 3-MCPD sulfate, β-chlorolactic acid (β-ClLA) and oxalic acid have been reported before. Five novel metabolites in rat urine were thiodiglycolic acid (TDGA), thionyldiglycolic acid (TNDGA), 3-MCPD glucuronide (at least three isomers), 3-carboxy-2-hydroxypropyl mercapturic acid (CHPMA), and 3-(S-carboxymethyl)mercaptolactic acid (CMMLA). Only three metabolites were excreted at mean dose ratios &gt; 1% (after treatment with 50 mg 3-MCPD/kg body weight in male and female rats), i.e. 3-MCPD (7.3%, 9.7%), DHPMA (3.5%, 1.7%) and TDGA (1.1%, 4.0%). The overall mean dose excretion in urine samples (males: 12.2%, females: 16.3%) supported hypotheses on formation of conjugates/adducts of reactive metabolites and the possibility that dechlorination leads to suitable building blocks for amino acid and fatty acid synthesis. The identification of TDGA indicated the interim formation 2-chloroacetaldehyde, previously identified to mediate specific nephrotoxic effects of the cytostatic ifosfamide in rats.</abstract>
    <parentTitle language="eng">Archives of Toxicology</parentTitle>
    <identifier type="doi">10.1007/s00204-026-04318-x</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-657230</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">23.03.2026</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Thorsten Henning</author>
    <author>Cornelius Goerdeler</author>
    <author>Ahmed H. El-Khatib</author>
    <author>Klas Meyer</author>
    <author>Gustav G. Bruer</author>
    <author>Klaus Abraham</author>
    <author>Bernhard Monien</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>3-Monochloropropane-1,2-diol</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>3-MCPD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metabolism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Urine</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.3 Instrumentelle Analytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65723/s00204-026-04318-x.pdf</file>
  </doc>
  <doc>
    <id>45607</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2237</pageFirst>
    <pageLast>2247</pageLast>
    <pageNumber/>
    <edition/>
    <issue>11</issue>
    <volume>29</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Multivariate analysis of MALDI imaging mass spectrometry data of mixtures of single pollen grains</title>
    <abstract language="eng">Mixtures of pollen grains of three different species (Corylus avellana, Alnus cordata, and Pinus sylvestris) were investigated by matrixassisted laser desorption/ionization time-of-flight imaging mass spectrometry (MALDI-TOF imaging MS). The amount of pollen grains was reduced stepwise from &gt; 10 to single pollen grains. For sample pretreatment, we modified a previously applied approach, where any additional extraction steps were omitted.&#13;
Our results show that characteristic pollen MALDI mass spectra can be obtained from a single pollen grain, which is the prerequisite for a reliable pollen classification in practical applications. MALDI imaging of laterally resolved pollen grains provides additional information by reducing the complexity of the MS spectra of mixtures, where frequently peak discrimination is observed. Combined with multivariate statistical analyses, such as principal component analysis (PCA), our approach offers the chance for a fast and reliable identification of individual pollen grains by mass spectrometry.</abstract>
    <parentTitle language="eng">Journal of the American Society for Mass Spectrometry</parentTitle>
    <identifier type="doi">10.1007/s13361-018-2036-5</identifier>
    <identifier type="issn">1044-0305</identifier>
    <identifier type="issn">1879-1123</identifier>
    <enrichment key="date_peer_review">30.07.2018</enrichment>
    <author>Franziska Lauer</author>
    <author>Sabrina Diehn</author>
    <author>Stephan Seifert</author>
    <author>Janina Kneipp</author>
    <author>V. Sauerland</author>
    <author>C. Barahona</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI Imaging MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pollen grains</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multivariate Statistics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hierarchical cluster analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Principal component analysis</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>65702</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>23</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>15</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Corundum Particles as Trypsin Carrier for Efficient Protein Digestion</title>
    <abstract language="eng">Reusable enzyme carriers are valuable for proteomic workflows, yet many supports are expensive or lack robustness. This study describes the covalent immobilization of recombinant trypsin on micrometer-sized corundum particles and assesses their performance in protein digestion and antibody analysis. The corundum surface was cleaned with potassium hydroxide, silanized with 3-aminopropyltriethoxysilane and activated with glutaraldehyde. Recombinant trypsin was then attached, and the resulting imines were reduced with sodium cyanoborohydride. Aromatic amino acid analysis (AAAA) estimated an enzyme loading of approximately 1 µg/mg. Non-specific adsorption of human plasma proteins was suppressed by blocking residual aldehydes with a Tris-glycine-lysine buffer. Compared with free trypsin, immobilization shifted the temperature optimum from 50 to 60 °C and greatly improved stability in 1 M guanidinium hydrochloride. Activity remained above 80% across several reuse cycles, and storage at 4 °C preserved functionality for weeks. When applied to digesting the NISTmAb, immobilized trypsin provided peptide yields and sequence coverage comparable to soluble enzyme and outperformed it at elevated temperatures. MALDI-TOF MS analysis of Herceptin digests yielded fingerprint spectra that correctly identified the antibody and achieved 60% sequence coverage. The combination of low cost, robustness and analytical performance makes corundum-immobilized trypsin an attractive option for research and routine proteomic workflows.</abstract>
    <abstract language="deu">Wiederverwendbare Enzymcarrier sind für proteomische Arbeitsabläufe von großem Wert, doch viele Trägermaterialien sind teuer oder nicht robust genug. Diese Studie beschreibt die kovalente Immobilisierung von rekombinantem Trypsin auf mikrometergroßen Korundpartikeln und bewertet deren Leistungsfähigkeit beim Proteinverdau und der Antikörperanalyse. Die Korundoberfläche wurde mit Kaliumhydroxid gereinigt, mit 3-Aminopropyltriethoxysilan silanisiert und mit Glutaraldehyd aktiviert. Anschließend wurde rekombinantes Trypsin gebunden, und die entstandenen Imine wurden mit Natriumcyanoborhydrid reduziert. Die aromatische Aminosäureanalyse (AAAA) ergab eine geschätzte Enzymbeladung von etwa 1 µg/mg. Die unspezifische Adsorption von menschlichen Plasmaproteinen wurde durch Blockierung der restlichen Aldehyde mit einem Tris-Glycin-Lysin-Puffer unterdrückt. Im Vergleich zu freiem Trypsin verschob die Immobilisierung das Temperaturoptimum von 50 auf 60 °C und verbesserte die Stabilität in 1 M Guanidiniumhydrochlorid erheblich. Die Aktivität blieb über mehrere Wiederverwendungszyklen hinweg bei über 80 %, und die Lagerung bei 4 °C bewahrte die Funktionalität über Wochen hinweg. Beim Verdau des NISTmAb lieferte das immobilisierte Trypsin Peptidausbeuten und Sequenzabdeckungen, die mit denen des löslichen Enzyms vergleichbar waren, und übertraf dieses bei erhöhten Temperaturen. Die MALDI-TOF-MS-Analyse von Herceptin-Verdauen ergab Fingerabdruck-Spektren, die den Antikörper korrekt identifizierten und eine Sequenzabdeckung von 60 % erreichten. Die Kombination aus niedrigen Kosten, Robustheit und analytischer Leistungsfähigkeit macht auf Korund immobilisiertes Trypsin zu einer attraktiven Option für die Forschung und routinemäßige proteomische Arbeitsabläufe.</abstract>
    <parentTitle language="eng">BioTech</parentTitle>
    <identifier type="issn">2673-6284</identifier>
    <identifier type="doi">10.3390/biotech15010002</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-657021</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="local_crossrefLicence">https://creativecommons.org/licenses/by/4.0/</enrichment>
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    <enrichment key="local_doiImportPopulated">PersonAuthorFirstName_1,PersonAuthorLastName_1,PersonAuthorIdentifierOrcid_1,PersonAuthorFirstName_2,PersonAuthorLastName_2,PersonAuthorFirstName_3,PersonAuthorLastName_3,PersonAuthorFirstName_4,PersonAuthorLastName_4,PersonAuthorIdentifierOrcid_4,PersonAuthorFirstName_5,PersonAuthorLastName_5,PersonAuthorFirstName_6,PersonAuthorLastName_6,PersonAuthorIdentifierOrcid_6,PersonAuthorFirstName_7,PersonAuthorLastName_7,PersonAuthorFirstName_8,PersonAuthorLastName_8,PersonAuthorIdentifierOrcid_8,PersonAuthorFirstName_9,PersonAuthorLastName_9,PersonAuthorIdentifierOrcid_9,PersonAuthorFirstName_10,PersonAuthorLastName_10,PersonAuthorIdentifierOrcid_10,PersonAuthorFirstName_11,PersonAuthorLastName_11,PersonAuthorIdentifierOrcid_11,PublisherName,TitleMain_1,Language,TitleAbstract_1,TitleParent_1,ArticleNumber,Issue,Volume,PublishedYear,IdentifierIssn,Enrichmentlocal_crossrefLicence</enrichment>
    <enrichment key="opus.source">doi-import</enrichment>
    <enrichment key="date_peer_review">24.03.2026</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Sarah Döring</author>
    <author>Birte S. Wulfes</author>
    <author>Aleksandra Atanasova</author>
    <author>Carsten Jaeger</author>
    <author>Leopold Walzel</author>
    <author>Georg Tscheuschner</author>
    <author>Sabine Flemig</author>
    <author>Kornelia Gawlitza</author>
    <author>Ines Feldmann</author>
    <author>Zoltán Konthur</author>
    <author>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bottom-up proteomics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solid-phase digestion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biopharmaceutical analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Peptide mapping</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Non-specific binding</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>amino acid analysis</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.5 Proteinanalytik</collection>
    <collection role="institutes" number="">1.8 Umweltanalytik</collection>
    <collection role="institutes" number="">1.9 Chemische und optische Sensorik</collection>
    <collection role="institutes" number="">4 Material und Umwelt</collection>
    <collection role="institutes" number="">4.2 Material-Mikrobiom Wechselwirkungen</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/65702/Doering-2026-BioTech.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/65702/biotech15010002_Suppl_Mat.pdf</file>
  </doc>
  <doc>
    <id>65726</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">MOF-metal nanohybrid-assisted charge transfer amplification for electrochemical biosensing of the MUC1 cancer biomarker</title>
    <abstract language="eng">Cancer is a severe disease characterized by high mortality and complex pathophysiology; however, its early and accurate diagnosis remains inadequate. Conventional diagnostic approaches often fall short, particularly for dense tissues, and are frequently invasive, costly, and of limited availability. This reinforces the need for a compact, economical, and ultrasensitive assay that is operationally simple and interpretable.&#13;
We present an efficient electrochemical detection platform for the cancer biomarker mucin 1 (MUC1). A fluorine-doped tin oxide (FTO) surface was modified with an iron-based metal–organic framework (FeMOF) intercalated with palladium nanorods (PdNR). FeMOF was prepared using Fe3+/Fe2+ precursors at a 1.2/1 mmol ratio and dual ligands, i.e. tetrahydroxy-1,4-benzoquinone and 2-aminobenzene-1,4-dicarboxylic acid. AntiMUC1 antibodies were immobilized on a modified electrode via p-phenylenediamine (PDA) (FTO/FeMOF@PdNR/PDA/antiMUC1Ab) and evaluated using electrochemical impedance spectroscopy (EIS) and voltammetry. The designed sensor demonstrated an excellent binding affinity for the MUC1 antigen. Among these techniques, the EIS method stands out for its technical performance, as evidenced by the high sensitivity (detection limit 0.074 fg mL−1), quantification limit 0.24 fg mL−1, and high analytical sensitivity (1.39 × 103 Ω fg−1 mL−1 cm−2). The negligible cross-reactivity with interferent biomolecules, rapid response (10-minute equilibrium), regenerability up to 5 cycles, high reproducibility (RSD ∼1–3%), and long-term stability (up to 35 days) further validate the suitability of the proposed MUC1 immunosensor. This study presents an ultrasensitive biosensor that is compact, cost-effective, and easy for individuals at home to use after further development into a kit-based end product. Moreover, its excellent functionality for spiked serum samples shows promise for next-generation clinical diagnostics.</abstract>
    <parentTitle language="eng">Analyst</parentTitle>
    <identifier type="doi">10.1039/D6AN00018E</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">25.03.2026</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Sarita Devi</author>
    <author>S. Goel</author>
    <author>S. Rani</author>
    <author>Rudolf J. Schneider</author>
    <author>R. Rohilla</author>
    <author>Surbhi Kumari</author>
    <author>N. Prabhakar</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Antibodies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal-organic framework</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Immunoassay</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.8 Umweltanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>33617</id>
    <completedYear/>
    <publishedYear>2015</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2214</pageFirst>
    <pageLast>2222</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>30</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Sample loss in asymmetric flow field-flow fractionation coupled to inductively coupled plasma-mass spectrometry of silver nanoparticles</title>
    <abstract language="eng">In this work, sample losses of silver nanoparticles (Ag NPs) in asymmetrical flow field-flow fractionation (AF4) have been systematically investigated with the main focus on instrumental conditions like focusing and cross-flow parameters as well as sample concentration and buffer composition. Special attention was drawn to the AF4 membrane. For monitoring possible silver depositions on the membrane, imaging laser ablation coupled to inductively coupled plasma mass spectrometry (LA-ICP-MS) was used. Our results show that the sample residue on the membrane was below 0.6% of the total injected amount and therefore could be almost completely avoided at low sample concentrations and optimized conditions. By investigation of the AF4 flows using inductively coupled plasma mass spectrometry (ICP-MS), we found the recovery rate in the detector flow under optimized conditions to be nearly 90%, while the cross-flow, slot-outlet flow and purge flow showed negligible amounts of under 0.5%. The analysis of an aqueous ionic Ag standard solution resulted in recovery rates of over 6% and the ionic Ag content in the sample was found to be nearly 8%. Therefore, we were able to indicate the ionic Ag content as the most important source of sample loss in this study.</abstract>
    <parentTitle language="eng">Journal of analytical atomic spectrometry</parentTitle>
    <identifier type="old">36727</identifier>
    <identifier type="doi">10.1039/c5ja00297d</identifier>
    <identifier type="issn">0267-9477</identifier>
    <identifier type="issn">1364-5544</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-336171</identifier>
    <enrichment key="date_peer_review">09.07.2015</enrichment>
    <licence>Creative Commons - Namensnennung - Nicht kommerziell 3.0</licence>
    <author>Carina Sötebier</author>
    <author>Frank Bierkandt</author>
    <author>Steffi Rades</author>
    <author>Norbert Jakubowski</author>
    <author>Ulrich Panne</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Asymmetric flow filed-flow fractionation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ICP-MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sample loss</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quantification</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/33617/Sample Loss in Asymmetric Flow Field-Flow Fractionation Coupled to Inductively Coupled Plasma-Mass Spectrometry of Silver Nanoparticles_Soetebier.pdf</file>
  </doc>
  <doc>
    <id>52359</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>10</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>222</volume>
    <type>article</type>
    <publisherName>Wiley VCH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">What does conversion mean in polymer science?</title>
    <abstract language="eng">The definition of the term “conversion” is discussed for a variety of polymer syntheses. It is demonstrated that in contrast to organic and inorganic chemistry several different definitions are needed in polymer science. The influence of increasing conversion on structure and topology of homo- and Copolymers is illustrated. Chain-growth polymerizations, such as radical polymerization or living anionic polymerizations of vinyl monomers, condensative chain polymerization, two and three-dimensional step-growth polymerizations, ring–ring or chain–chain equilibration and chemical modification of polymers are considered.</abstract>
    <parentTitle language="eng">Macromolecular Chemistry and Physics</parentTitle>
    <identifier type="doi">10.1002/macp.202100010</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-523597</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">22.04.2021</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>H. R. Kricheldorf</author>
    <author>F. Scheliga</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Conversion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polycondensation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/52359/Kricheldorf_What does conversion means in Polymer Science_2021_macp.202100010.pdf</file>
  </doc>
  <doc>
    <id>62876</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2843</pageFirst>
    <pageLast>2857</pageLast>
    <pageNumber/>
    <edition/>
    <issue>6</issue>
    <volume>33</volume>
    <type>article</type>
    <publisherName>Springer Science and Business Media LLC</publisherName>
    <publisherPlace>New York, NY</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">H2O-Initiated Polymerization of L-Lactide</title>
    <abstract language="eng">Water-initiated ring-opening polymerizations (ROPs) of L-lactide (LA) were performed in bulk at 140 °C, whereupon 11 different salts or complexes of low-toxic metal ions such as tin (II), Zn(II), Zr(IV), and Bi(III) were used as catalysts. Only four catalysts gave satisfactory results despite a long reaction time (24 h). The influence of the temperature was studied with tin (II) 2-ethylhexanoate (SnOct2), dibutyltin oxide (Bu2SnO), and zinc bis-acetylacetonate (Zn(acac)2) and zirconium acetylacetonate (Zr(acac)4). With SnOct2, Bu2SnO and Zr(acac)4 the time was varied at 140 °C to compare their reactivity. Furthermore, two series of ROPs were carried out with variation of the LA/H2O ratio to verify the control of the molecular weight by the monomer-initiator ratio. Bi- or tri-modal molecular weight distributions (MWD) were found for most of the ROPs and bimodal melting endotherms in the differential scanning calorimetry (DSC) heating traces. The thickness and dependence of the 3D packing of the crystallites were monitored by small-angle X-ray scattering (SAXS) measurements.</abstract>
    <parentTitle language="eng">Journal of Polymers and the Environment</parentTitle>
    <identifier type="doi">10.1007/s10924-025-03565-w</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-628761</identifier>
    <identifier type="issn">1572-8919</identifier>
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Only four catalysts gave satisfactory results despite a long reaction time (24\u00a0h). The influence of the temperature was studied with tin (II) 2-ethylhexanoate (SnOct&lt;jats:sub&gt;2&lt;\/jats:sub&gt;), dibutyltin oxide (Bu&lt;jats:sub&gt;2&lt;\/jats:sub&gt;SnO), and zinc bis-acetylacetonate (Zn(acac)&lt;jats:sub&gt;2&lt;\/jats:sub&gt;) and zirconium acetylacetonate (Zr(acac)&lt;jats:sub&gt;4&lt;\/jats:sub&gt;). With SnOct&lt;jats:sub&gt;2,&lt;\/jats:sub&gt; Bu&lt;jats:sub&gt;2&lt;\/jats:sub&gt;SnO and Zr(acac)&lt;jats:sub&gt;4&lt;\/jats:sub&gt; the time was varied at 140\u00a0\u00b0C to compare their reactivity. Furthermore, two series of ROPs were carried out with variation of the LA\/H&lt;jats:sub&gt;2&lt;\/jats:sub&gt;O ratio to verify the control of the molecular weight by the monomer-initiator ratio. Bi- or tri-modal molecular weight distributions (MWD) were found for most of the ROPs and bimodal melting endotherms in the differential scanning calorimetry (DSC) heating traces. 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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Hans R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring-opening polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
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    <pageLast>9</pageLast>
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    <title language="eng">Polycondensation, Cyclization and Disproportionation of Solid Poly(L-lactide) Trifluoroethyl Esters and the Simultaneous Formation of Extended Chain Crystals and Extended Ring Crystals</title>
    <abstract language="eng">Two poly(L-lactide)s (PLAs) with a degree of polymerization (DP) of 20 or 100 were prepared by trifluoroethanol-initiated ring-opening polymerization (ROP) catalyzed by tin(II) 2-ethyl hexanoate (SnOct2). These PLAs were annealed at 140 ◦C or at 160 ◦C in the presence of SnOct2, and the changes in topology and molecular weight distribution (MWD) were monitored by matrix-assisted laser desorption/ionization time-of flight (MALDI TOF) mass spectrometry and gel permeation chromatography (GPC). For the PLA with a DP 20, the main reaction was polycondensation combined with higher dispersities. In the case of the DP 100, PLA polycondensation was combined with disproportionation and the formation of a new MWD maximum around m/z 3500. In addition, extensive cyclization occurred, and the resulting cyclic PLAs crystallized separately from the linear chains in the form of extended ring crystals. These results also suggest that both extended chain and extended ring crystals posses the same crystal thickness as a result of thermodynamically controlled transesterification in the solid state.</abstract>
    <parentTitle language="eng">Polymer</parentTitle>
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    <title language="eng">Quantitative MALDI-TOF Mass Spectrometry of Star-Shaped Polylactides Based on Chromatographic Hyphenation</title>
    <abstract language="eng">The end groups of three- and four-arm star-shaped polylactides (PLA) with trimethylolpropane and pentaerythritol core structures were functionalized with acetic acid. Reaction products with different degrees of functionalization were analyzed by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. Additional gradient elution liquid adsorption chromatography (GELAC) measurements were performed to determine the degree of functionalization. This technique enabled clear separation and sufficient quantification of the formed species. These chromatographic data could be used inversely to quantify mass spectrometric results, which are usually biased by the unknown ionization probabilities of different polymer end group structures. Our results showed that, in this particular case, the peak intensity in the MALDITOF mass spectra can be used to semiquantitatively determine the degree of functionalization in incompletely functionalized multiarm PLA.</abstract>
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    <language>eng</language>
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    <title language="eng">Polycondensation of L-lactic acid: a deeper look into solid state polycondensation</title>
    <abstract language="eng">L-Lactic acid (LA) was condensed in the presence of SnCl2 or 4-toluenesulfonic acid (TSA) at 140 °C, and chain growth without cyclization was observed. In addition, poly(L-lactic acid)s (PLAs) with a degree of polymerization (DP) of 25, 50 or 100 were prepared by water-initiated ring-opening polymerization (ROP). These PLAs were annealed in the solid state at 140 °C and 160 °C in the presence of tin(II) 2-ethylhexanoate (SnOct2, SnCl2 or TSA). The changes in the molar mass distribution and in the topology were characterized by means of matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry and size exclusion chromatography (SEC). With increasing time, fewer side reactions caused higher molar masses and increasing fractions of cyclic polylactides (cPLA) were obtained. Their “saw tooth” pattern in the MALDI-TOF mass spectra indicated the formation of extended ring crystallites in the solid state. TSA was the most active catalyst and caused fewer side reactions than SnCl2, which was the least reactive catalyst. Acetylation of the CH-OH end groups hindered polycondensation and prevented the formation of cPLAs. Reaction mechanisms will be discussed.</abstract>
    <parentTitle language="eng">Polymer Chemistry</parentTitle>
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    <identifier type="issn">1759-9962</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-625271</identifier>
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    <author>Hans R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <author>Felix Scheliga</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polycondensation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylaktide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solid state</value>
    </subject>
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    <pageLast>9</pageLast>
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    <issue/>
    <volume>309</volume>
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    <title language="eng">About alcohol-initiated polymerization of glycolide and separate crystallization of cyclic and linear polyglycolides</title>
    <abstract language="eng">Alcohol-initiated polymerizations of glycolide (GL) catalyzed by tin(II) 2-ethylhexanoate (SnOct2) were carried out in bulk with variation of GA/In ratio, temperature and time. Due to a rather strong competition of cyclization polyglycolide (PGA) free of cycles were never obtained. When the cyclic catalysts 2,2-dibutal-2-stanna − 1,3-dithiolane (DSTL) or 2-stanna 1,3-dioxo-4,5,6,7 bibenzepane (SnBiph) were used in combination with 1,4-butanediol the influence of cyclization was even stronger. Furthermore, the degrees of polymerization were higher than the GA/alcohol ratio due to rapid polycondensation in the solid state. At 160 °C or below, the matrixassisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectra indicated separate crystallization of low molar mass cyclic and linear PGAs from the same reaction mixture (also observed for poly(L-lactide)s).</abstract>
    <parentTitle language="eng">Polymer</parentTitle>
    <identifier type="doi">10.1016/j.polymer.2024.127440</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-607282</identifier>
    <identifier type="issn">0032-3861</identifier>
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    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>H. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <author>A. Meyer</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyglycolide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring opening polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
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    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>3686</pageFirst>
    <pageLast>3692</pageLast>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>15</volume>
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    <title language="eng">Syntheses of cyclic polylactides and the problem of catenane formation</title>
    <abstract language="eng">Cyclic poly(L-lactide)s (PLAs) were prepared in bulk either by ring-expansion polymerization (REP) or by ring-opening polymerization (ROP) with simultaneous polycondensation (ROPPOC). In contrast to REP the latter method involves formation of linear chains and thus, may involve formation of polydisperse catenanes that affect crystallization. The reprecipitated PLAs were annealed at 120 °C and compared with regard to melting temperature (Tm) and melting enthalpy (ΔHm). For similar molar masses the PLAs prepared by REP and ROPPOC had almost identical Tm's and crystallinities. Furthermore, the influence of REP and ROPPOC catalysts on the morphology of the virgin reaction products was compared.</abstract>
    <parentTitle language="eng">RSC Advances</parentTitle>
    <identifier type="doi">10.1039/d4ra08683j</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-625061</identifier>
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    <enrichment key="date_peer_review">19.02.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catenane</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
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    <publishedYear>2012</publishedYear>
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    <language>eng</language>
    <pageFirst>87</pageFirst>
    <pageLast>99</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>45</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace>Washington, DC</publisherPlace>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">In-depth LCCC-(GELC)-SEC characterization of ABA block copolymers generated by a mechanistic switch from RAFT to ROP</title>
    <abstract language="eng">A recently introduced procedure involving a mechanistic switch from reversible addition–fragmentation chain transfer (RAFT) polymerization to ring-opening polymerization (ROP) to form diblock copolymers is applied to synthesize ABA (star) block copolymers. The synthetic steps include the polymerization of styrene with R-group designed RAFT agents, the transformation of the thiocarbonyl thio end groups into OH functionalities, and their subsequent chain extension by ROP. The obtained linear ABA poly(ε-caprolactone)-block-poly(styrene)-block-poly(ε-caprolactone) (pCL-b-pS-b-pCL) (12 500 g mol¯¹ ≤ Mₙ ≤ 33 000 g mol¯¹) and the star-shaped poly(styrene)-block-poly(ε-caprolactone) (Mₙ = 36 000 g mol¯¹) copolymers were analyzed by size exclusion chromatography (SEC), nuclear magnetic resonance (NMR), infrared (IR) spectroscopy, and matrix-assisted laser desorption/ionization (MALDI) mass spectrometry. The focus of the current study is on the detailed characterization of the ABA (star) block polymers via multidimensional chromatographic techniques specifically high performance liquid chromatography coupled to size exclusion chromatography (HPLC-SEC). In particular, we demonstrate the first time separation of poly(ε-caprolactone) (pCL) homopolymer and additionally poly(styrene) (pS) from the ABA poly(ε-caprolactone)-b-poly(styrene)-b-poly(ε-caprolactone) and star-shaped poly(styrene)-b-poly(ε-caprolactone) block copolymer utilizing critical conditions (CC) for pCL with concomitant gradient elution liquid chromatography (GELC).</abstract>
    <parentTitle language="eng">Macromolecules</parentTitle>
    <identifier type="old">28182</identifier>
    <identifier type="doi">10.1021/ma2022452</identifier>
    <identifier type="issn">0024-9297</identifier>
    <identifier type="issn">1520-5835</identifier>
    <enrichment key="date_peer_review">16.02.2012</enrichment>
    <author>C. Schmid</author>
    <author>Steffen Weidner</author>
    <author>Jana Falkenhagen</author>
    <author>C. Barner-Kowollik</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Two-dimensional-liquid chromatography (2D-LC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Liquid chromatography under critical conditions (LCCC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gradient elution liquid chromatography (GELC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Soft ionization mass spectrometry (ESI, MALDI)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reversible addition fragmentation chain transfer (RAFT)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring opening polymerization (ROP)</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51130</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5249</pageFirst>
    <pageLast>5260</pageLast>
    <pageNumber/>
    <edition/>
    <issue>32</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>Royal Society for Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">High molar mass cyclic poly(L-lactide)s by means of neat tin (II) 2-ethylhexanoate</title>
    <abstract language="eng">L-lactide was polymerized in bulk at 120, 140, 160 and 180°C with neat tin(II) 2-ethylhexanoate (SnOct2) as catalyst. At 180°C the Lac/Cat ratio was varied from 25/1 up to 8 000/1 and at 160°C from 25/1 up to 6 000/1. The vast majority of the resulting polylactides consist of cycles in combination with a small fraction of linear chains having one octanoate and one COOH end group. The linear chains almost vanished at high Lac/Cat ratios, as evidenced by MALDI-TOF mass spectrometry and measurements of intrinsic viscosities and dn/dc values. At Lac/Cat ratios &lt;1000/1 the number average molar masses (Mn) are far higher than expected for stoichiometic initiation, and above 400/1 the molar masses vary relatively little with the Lac/Cat ratio. At 180° slight discoloration even at short times and degradation of the molar masses were observed, but at 160°C or below colorless products with weight average molar masses (Mw) up to 310 000 g mol-1 were obtained. The formation of high molar mass cyclic polylactides is explained by a ROPPOC (Ring-Opening Polymerizatiom with simultaneous Polycondensation) mechanism with intermediate formation of linear chains having one Sn-O-CH end group and one mixed anhydride end group. Additional experiments with tin(II)acetate as catalyst confirm this interpretation. These findings together with the detection of several transesterification mechanisms confirm previous critique of the Jacobson-Stockmayer theory.</abstract>
    <parentTitle language="eng">RSC Polymer Chemistry</parentTitle>
    <identifier type="doi">10.1039/d0py00811g</identifier>
    <enrichment key="date_peer_review">09.09.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>52517</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>7</pageLast>
    <pageNumber/>
    <edition/>
    <issue>27</issue>
    <volume>60</volume>
    <type>article</type>
    <publisherName>Wiley VCH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Confined Spaces in [n]Cyclo-2,7-pyrenylenes</title>
    <abstract language="eng">A set of strained aromatic macrocycles based on [n]cyclo2,7-(4,5,9,10-tetrahydro)pyrenylenes is presented with size dependent photophysical properties. The K-region of pyrene was functionalized with ethylene glycol groups to decorate the outer rim and thereby confine the space inside the macrocycle. This confined space is especially pronounced for n = 5, which leads to an internal binding of up to 8.0×104 M–1 between the ether-decorated [5]cyclo-2,7-pyrenylene and shape complementary crown ether–cation complexes.&#13;
Both, the ether-decorated [n]cyclo-pyrenylenes as well as one of their host–guest complexes have been structurally characterized by single crystal X-ray analysis. In combination with computational methods the structural and thermodynamic reasons for the exceptionally strong binding have been elucidated. The presented rim confinement strategy makes cycloparaphenylenes an attractive supramolecular host family with a favorable, size-independent read-out signature and binding capabilities extending beyond fullerene guests.</abstract>
    <parentTitle language="eng">Angewandte Chemie-International Edition</parentTitle>
    <identifier type="doi">10.1002/anie.202102809</identifier>
    <identifier type="issn">1433-7851</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">03.06.2021</enrichment>
    <author>N. Grabicki</author>
    <author>K. T. G. Nguyen</author>
    <author>Steffen Weidner</author>
    <author>O. Dumele</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cycloparaphenylenes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Host–guest systems</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Macrocycles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Molecular recognition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Supramolecular chemistry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>37913</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>93496</pageFirst>
    <pageLast>93504</pageLast>
    <pageNumber/>
    <edition/>
    <issue>96</issue>
    <volume>2016/6</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Unsaturated Copolyesters of Lactide</title>
    <abstract language="eng">Four classes of unsaturated copolyesters of L-lactide were prepared either from isosorbide or bis(hydroxymethyl)tricyclodecane in combination with fumaric acid or from 1,4-butenediol or 1,4- butynediol with terephthalic acid. All syntheses were performed in such a way that lactide was oligomerized with a diol as the initiator and the resulting oligomers were polycondensed with a dicarboxylic acid dichloride either in a one-pot synthesis or in a two-step procedure. For most copolyesters the SEC measurements gave weight average molecular weights in the range of 30–60 kg mol⁻1 and dispersities in the range of 4.2–6.2. The MALDI-TOF mass spectra displayed a high content of cycles and indicated an irreversible kinetic course of all polycondensations. Glass-transition temperatures (Tg) above 90 °C were only found for two copolyesters of isosorbide. Addition of bromine to copolyesters of 1,4-butenediol yielded flame retarding biodegradable polymers.</abstract>
    <parentTitle language="eng">RSC Advanced</parentTitle>
    <identifier type="doi">10.1039/c6ra16008e</identifier>
    <enrichment key="date_peer_review">01.12.2016</enrichment>
    <author>M. Lahcini</author>
    <author>Steffen Weidner</author>
    <author>J. Oumayama</author>
    <author>F. Scheliga</author>
    <author>H. R. Kricheldorf</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Copolyester</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SEC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lactide</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>44404</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>581</pageFirst>
    <pageLast>589</pageLast>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>19</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Unprecedented Ionization Processes in Mass SpectrometryProvide Missing Link between ESI and MALDI</title>
    <abstract language="eng">In the field of mass spectrometry,producing intact, highly-charged protein ions from surfaces is a conundrum with significant potential payoff in application areas ranging from bio-medical to clinical research. Here, we report on the ability to form intact, highly-charged protein ions on high vacuum time-of-flight mass spectrometers in the linear and reflectron modes achievable using experimental conditions that allow effective matrix removal from both the sample surfaces and from the charged clusters formed by the laser Ablation event. The charge states are the highest reported on high vacuum mass spectrometers, yet they  remain at only around athird of the highest charge obtained using laser ablation with a suitable matrix at atmospheric pressure. Other than physical instrument modifications, the key to forming abundant and stable highly-charged ions appears to be the volatility of the matrix used. Cumulative results suggest mechanistic links between the ionization process reported here and traditional ionization methods of electrospray ionization and matrix-assisted laser desorp-tion/ionization.</abstract>
    <parentTitle language="eng">ChemPhysChem</parentTitle>
    <identifier type="doi">10.1002/cphc.201701246</identifier>
    <identifier type="issn">1439-4235</identifier>
    <identifier type="issn">1439-7641</identifier>
    <enrichment key="date_peer_review">22.03.2018</enrichment>
    <author>S. Trimpin</author>
    <author>C. Lee</author>
    <author>Steffen Weidner</author>
    <author>T. El-Baba</author>
    <author>C. Lutomski</author>
    <author>E. Inutan</author>
    <author>C. Foley</author>
    <author>C.-K. Ni</author>
    <author>C. McEwen</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Electrospray</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ionization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>49209</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>e8382</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>51</issue>
    <volume>35</volume>
    <type>article</type>
    <publisherName>John Wiley &amp; Sons</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Toward understanding the ionization mechanism of matrix‐assisted ionization using mass spectrometry experiment and theory</title>
    <abstract language="eng">Matrix‐assisted ionization (MAI) mass spectrometry does not require voltages, a laser beam, or added heat to initiate ionization, but it is strongly dependent on the choice of matrix and the vacuum conditions. High charge state distributions of nonvolatile analyte ions produced by MAI suggest that the ionization mechanism may be similar to that of electrospray ionization (ESI), but different from matrix‐assisted laser desorption/ionization (MALDI). While significant information is available for MAI using mass spectrometers operating at atmospheric and intermediate pressure, little is known about the mechanism at high vacuum.&#13;
Eleven MAI matrices were studied on a high‐vacuum time‐of‐flight (TOF) mass spectrometer using a 266 nm pulsed laser beam under otherwise typical MALDI conditions. Detailed comparisons with the commonly used MALDI matrices and theoretical prediction were made for 3‐nitrobenzonitrile (3‐NBN), which is the only MAI matrix that works well in high vacuum when irradiated with a laser.&#13;
Screening of MAI matrices with good absorption at 266 nm but with various degrees of volatility and laser energies suggests that volatility and absorption at the laser wavelength may be necessary, but not sufficient, criteria to explain the formation of multiply charged analyte ions. 3‐NBN produces intact, highly charged ions of nonvolatile analytes in high‐vacuum TOF with the use of a laser, demonstrating that ESI‐like ions can be produced in high vacuum. Theoretical calculations and mass spectra suggest that thermally induced proton transfer, which is the major ionization mechanism in MALDI, is not important with the 3‐NBN matrix at 266 nm laser wavelength. 3‐NBN:analyte crystal morphology is, however, important in ion generation in high vacuum.&#13;
The 3‐NBN MAI matrix produces intact, highly charged ions of nonvolatile compounds in high‐vacuum TOF mass spectrometers with the aid of ablation and/or heating by laser irradiation, and shows a different ionization mechanism from that of typical MALDI matrices.</abstract>
    <parentTitle language="eng">Rapid Communications in Mass Spectrometry</parentTitle>
    <identifier type="doi">10.1002/rcm.8382</identifier>
    <enrichment key="date_peer_review">25.11.2019</enrichment>
    <author>C. Lee</author>
    <author>E. D. Inutan</author>
    <author>J. L. Chen</author>
    <author>M. M. Mukeku</author>
    <author>Steffen Weidner</author>
    <author>S. Trimpin</author>
    <author>C.-K. Ni</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ionization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanism</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>52633</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>110508</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>153</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">SnOct2-catalyzed and alcohol-initiated ROPs of L-lactide – About the influence of initiators on chemical reactions in the melt and the solid state</title>
    <abstract language="eng">SnOct2 (Sn(II) 2-ethylhexanoate) catalyzed ROPs of L-lactide were performed in bulk with eight different alcohols as initiators. The time was varied between 1 h and 24 h for all initiators. For two initiators the temperature was also lowered to 115 ◦C. Even-numbered chains were predominantly formed in all polymerizations at short times, but the rate of transesterification (e.g. even/odd equilibration) and the molecular weight distribution were found to depend significantly on the nature of the initiator. Observed transesterification reactions also continued in solid poly (L-lactide), and with the most active initiator, almost total equilibration was achieved even at 130 ◦C. This means that all chains including those of the crystallites were involved in transesterification reactions proceeding across the flat surfaces of the crystallites. The more or less equilibrated crystalline polylactides were characterized by DSC and SAXS measurements with regard to their melting temperature (Tm), crystallinity and crystal thickness.</abstract>
    <parentTitle language="eng">European Polymer Journal</parentTitle>
    <identifier type="doi">10.1016/j.eurpolymj.2021.110508</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.06.2021</enrichment>
    <author>Steffen Weidner</author>
    <author>A. Meyer</author>
    <author>Jana Falkenhagen</author>
    <author>H. R. Kricheldorf</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalysts</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51369</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue>7</issue>
    <volume>25</volume>
    <type>article</type>
    <publisherName>Taylor &amp; Francis</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Characterization of copolymers of polycarbonate and polydimethylsiloxane by 2D chromatographic separation, MALDI-TOF mass spectrometry, and FTIR spectroscopy</title>
    <abstract language="eng">The structure and composition of polycarbonate polydimethylsiloxane copolymer (PC-co-PDMS) was investigated by applying various analytical approaches including chromatographic separation methods, spectrometric, and spectroscopic detection techniques. In particular, size exclusion chromatography (SEC) and liquid adsorption chromatography operating at different conditions (e.g. using gradient solvent systems) were used to achieve separations according to molar mass and functionality distribution. The coupling of both techniques resulted in fingerprint two-dimensional plots, which could be used to easily compare different copolymer batches. Matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) mass spectrometry was applied for structural investigations. The different ionization behavior of both comonomers, however, strongly limited the applicability of this technique. In contrast to that, Fourier-transform Infrared (FTIR) spectroscopy could be used to quantify the amount of PDMS in the copolymer at different points in the chromatogram. The resulting methodology was capable of distinguishing PC-co-PDMS copolymer from PC homopolymer chains present in the material.</abstract>
    <parentTitle language="eng">International Journal of Polymer Analysis and Characterization</parentTitle>
    <identifier type="doi">10.1080/1023666X.2020.1820170</identifier>
    <enrichment key="date_peer_review">15.10.2020</enrichment>
    <author>Maria Baumann</author>
    <author>Jana Falkenhagen</author>
    <author>Steffen Weidner</author>
    <author>C. Wold</author>
    <author>E. Uliyanchenko</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>FTIR</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Liquid chromatography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gradient elution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polycarbonate-co-dimethylsiloxane copolymer</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>44423</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>3467</pageFirst>
    <pageLast>3474</pageLast>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>90</volume>
    <type>article</type>
    <publisherName>ACS Publ.</publisherName>
    <publisherPlace>Washington, DC</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Power of ultra performance liquid chromatography/electrospray ionization-MS reconstructed ion chromatograms in the characterization of small differences in polymer microstructure</title>
    <abstract language="eng">From simple homopolymers to functionalized, 3-dimensional structured copolymers, the complexity of polymeric materials has become more and more sophisticated. With new applications for instance in the semiconductor or pharmaceutical industry, the requirements for the characterization have risen with the complexity of the used polymers. For each additional distribution, an additional dimension in analysis is needed. Small, often isomeric heterogeneities in topology or microstructure can usually not be simply separated chromatographically or distinguished by any common detector, but affect the properties of materials significantly. For a drug delivery system for example, the degree of branching and branching distribution is crucial for the formation of micelles. Instead of a complicated, time consuming and/or expensive 2d-chromatography or ion mobility spectrometry (IMS) method, that also has its limitations, in this work a simple approach using size exclusion chromatography (SEC) coupled with electrospray ionization mass spectrometry (ESI) is proposed. The online coupling allows the analysis of reconstructed ion chromatograms (RIC) of each degree of polymerization. While a complete separation often cannot be achieved, the derived retention times and peak widths lead to information on the existence and dispersity of heterogeneities. Although some microstructural heterogeneities like short chain branching can for large polymers be characterized with methods such as light scattering, for oligomers where the heterogeneities just start to form and their influence is at the maximum, they are inaccessible with these methods. It is also shown, that with a proper calibration even quantitative information can be obtained. This method is suitable to detect small differences in e. g. branching, 3d-structure, monomer sequence or tacticity and could potentially be used in routine analysis to quickly determine deviations.</abstract>
    <parentTitle language="eng">Analytical Chemistry</parentTitle>
    <identifier type="doi">10.1021/acs.analchem.7b05214</identifier>
    <identifier type="issn">0003-2700</identifier>
    <identifier type="issn">1520-6882</identifier>
    <enrichment key="date_peer_review">09.03.2018</enrichment>
    <author>Ruben Epping</author>
    <author>Ulrich Panne</author>
    <author>Jana Falkenhagen</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstructure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>UPLC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ESI-TOF-MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reconstructed ion chromatograms</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>49483</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Carl Hanser Verlag</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Microstructure of polymer-imprinted metal–organic frameworks determined by absorption edge tomography</title>
    <abstract language="eng">Mechanochemically synthesized metal–organic Framework material HKUST-1 in combination with acrylonitrile butadiene styrene polymer was used to form a polymer metal–organic framework composite material by a simple extruder.&#13;
This composite filament was used for 3D printing. Xray diffraction measurements were used to prove the homogeneous distribution of the metal–organic framework in the polymer on a centimeter scale, whereas X-ray Absorption Edge Tomography using a synchrotron radiation source was able to evaluate the 3D distribution of the metal–organic framework material both in the filament and the resultant printed sample with a resolution of a few lm. Our very first data indicate that, apart from a few clusters having significantly higher Cu concentration, HKUST-1 is distributed homogeneously down to the 100 lm length scale in both polymer bulk materials in the form of clusters with a size of a few lm. Absorption Edge Tomography in combination with data fusion also allows for the calculation of the metal–organic framework amount located on the external polymer surface.</abstract>
    <parentTitle language="eng">International Journal of Materials Research (IJMR)</parentTitle>
    <identifier type="doi">10.3139/146.111817</identifier>
    <identifier type="issn">1862-5282</identifier>
    <enrichment key="date_peer_review">27.01.2020</enrichment>
    <author>Philipp Scholz</author>
    <author>Alexander Ulbricht</author>
    <author>Y. Joshi</author>
    <author>Christian Gollwitzer</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MOF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>AET</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>26723</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2091</pageFirst>
    <pageLast>2103</pageLast>
    <pageNumber/>
    <edition/>
    <issue>11</issue>
    <volume>97</volume>
    <type>article</type>
    <publisherName>Applied Science Publ.</publisherName>
    <publisherPlace>London</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Structural analysis of biodegradable low-molecular mass copolyesters based on glycolic acid, adipic acid and 1,4 butanediol and correlation with their hydrolytic degradation</title>
    <abstract language="eng">Copolyesters of glycolic acid combined with adipic acid and 1,4 butanediol were synthesized, their in vitro hydrolytic degradation was studied and correlated with their structure. The hydrolytic degradation of the copolyesters was directly related with the degree of crystallinity and the diameter of the crystallites. It was found that glycolate units disturb the ordering of the butylene adipate units, which results in a decrease of the crystallinity. By comparing the hydrolysis parameters of synthesized copolyesters with those of similar aliphatic copolyesters a hydrolysis mechanism was proposed. According to this mechanism, the degradation takes place not only by the loss of end units, but also through the removal of larger segments. MALDI-TOF MS data showed that the possibility of a copolyester macromolecule forming cyclic structures correlates with the arrangement of ester groups in the macromolecules and the structure of the linear segments.</abstract>
    <parentTitle language="eng">Polymer degradation and stability</parentTitle>
    <identifier type="old">29500</identifier>
    <identifier type="doi">10.1016/j.polymdegradstab.2012.09.002</identifier>
    <identifier type="issn">0141-3910</identifier>
    <identifier type="issn">1873-2321</identifier>
    <enrichment key="date_peer_review">19.10.2012</enrichment>
    <author>S. Soulis</author>
    <author>D. Triantou</author>
    <author>Steffen Weidner</author>
    <author>Jana Falkenhagen</author>
    <author>J. Simitzis</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biodegradable</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biopolymers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hydrolytic degradation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ft-IR</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Matrix-assisted laser desorption/ionization-time-of-flight-mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF-MS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>26500</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4206</pageFirst>
    <pageLast>4214</pageLast>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>50</volume>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace>Hoboken, NJ</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Poly(Epsilon-caprolactone) by combined ring-opening polymerization and azeotropic polycondensation - The role of cyclization and equilibration</title>
    <abstract language="eng">Using three different catalysts, water-initiated polymerizations of ε-caprolactone were conducted in bulk with variation of the monomer/water ratio. The resulting CH2OH and CO2H- terminated polylactones were subjected in situ to azeotropic polycondensations. With Bi-triflate and temperatures, the polycondensations were not much successful and involved side reactions. With ZnCl2, and especially SnCl2, considerably higher molar masses were achieved. The substitution of toluene for chlorobenzene for refluxing gave better results. The polycondensations broadened the molar mass distribution of the ROP-based prepolymers, and polydispersities between 1.4-1.8 were obtained. The MALDI-TOF mass spectra revealed that the polycondensations significantly enhanced the fraction of rings due to efficient 'end-biting' reactions. By comparison with copolymerization experiments and Sn methoxide-initiated polymerizations, it was demonstrated that equilibration reactions, such as the formation of rings by 'back-biting,' did not occur.</abstract>
    <parentTitle language="eng">Journal of polymer science A, polymer chemistry</parentTitle>
    <identifier type="old">29269</identifier>
    <identifier type="doi">10.1002/pola.26222</identifier>
    <identifier type="issn">0360-6376</identifier>
    <identifier type="issn">0887-624X</identifier>
    <enrichment key="date_peer_review">19.09.2012</enrichment>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <author>F. Scheliga</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring-opening polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Epsilon-caprolactone (e-CL)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polycondensation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyesters</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>27270</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2404</pageFirst>
    <pageLast>2411</pageLast>
    <pageNumber/>
    <edition/>
    <issue>22</issue>
    <volume>213</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Copolymer composition determined by LC-MALDI-TOF MS coupling and 'MassChrom2D' data analysis</title>
    <abstract language="eng">The MALDI-TOF MS analysis of copolymers very often results in complex spectra. A chromatographic separation/fractionation prior to the MALDI investigation can be advantageous since the MALDI mass spectra of fractions very often reveal well-resolved peaks of distinguishable copolymer series. For this purpose, different modes of chromatography have been applied. Chromatographic runs were transferred to MALDI targets utilizing a combined air/electrospray deposition device. Using the new MassChrom2D software, fraction-dependent 2D copolymer compositions plots were obtained providing additional information on the chromatographic mode, and enabling fast modification of conditions to increase separation.</abstract>
    <parentTitle language="eng">Macromolecular chemistry and physics</parentTitle>
    <identifier type="old">30077</identifier>
    <identifier type="doi">10.1002/macp.201200169</identifier>
    <identifier type="issn">1022-1352</identifier>
    <identifier type="issn">1521-3935</identifier>
    <enrichment key="date_peer_review">06.12.2012</enrichment>
    <author>Steffen Weidner</author>
    <author>Jana Falkenhagen</author>
    <author>Ingo Breßler</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Copolymer composition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Chromatography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coupling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF mass spectrometry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>58073</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>21970</pageFirst>
    <pageLast>21980</pageLast>
    <pageNumber/>
    <edition/>
    <issue>33</issue>
    <volume>25</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">New insights into pertinent Fe-complexes for the synthesis of iron via the instant polyol process</title>
    <abstract language="eng">Chemically synthesized iron is in demand for biomedical applications due to its large saturation magnetization compared to iron oxides. The polyol process, suitable for obtaining Co and Ni particles and their alloys, is laborious in synthesizing Fe. The reaction yields iron oxides, and the reaction pathway remains unexplored. This study shows that a vicinal polyol, such as 1,2-propanediol, is suitable for obtaining Fe rather than 1,3-propanediol owing to the formation of a reducible Fe intermediate complex. X-ray absorption spectroscopy analysis reveals the ferric octahedral geometry and tetrahedral geometry in the ferrous state of the reaction intermediates in 1,2-propanediol and 1,3-propanediol, respectively. The final product obtained using a vicinal polyol is Fe with a γ-Fe2O3 shell, while the terminal polyol is favourable for Fe3O4. The distinct Fe–Fe and Fe–O bond lengths suggest the presence of a carboxylate group and a terminal alkoxide ligand in the intermediate of 1,2-propanediol. A large Fe–Fe bond distance suggests diiron complexes with bidentate carboxylate bridges. Prominent high-spin and low-spin states indicate the possibility of transition, which favors the reduction of iron ions in the reaction using 1,2-propanediol.</abstract>
    <parentTitle language="eng">Physical Chemistry Chemical Physics</parentTitle>
    <identifier type="doi">10.1039/D3CP01969A</identifier>
    <identifier type="issn">1463-9076</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">16.08.2023</enrichment>
    <author>S. K. Somasundaram</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Franziska Emmerling</author>
    <author>S. Krishnan</author>
    <author>K. Senthilkumar</author>
    <author>R.J. Joseyphus</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticle</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>44440</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>946</pageFirst>
    <pageLast>961</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>20</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization</title>
    <abstract language="eng">A series of Ca-based coordination polymers were prepared mechanochemically by milling Ca(OH)2 with phthalic acid (H2oBDC), isophthalic acid (H2mBDC), and terephthalic acid (H2pBDC). The hydrated compounds [Ca(oBDC)(H2O)], [Ca(mBDC)(H2O)3.4], and [Ca(pBDC)(H2O)3] were prepared for the first time via mechanochemical routes. The refined structures were validated by extended X-ray absorption data. The new dehydrated compound [Ca(oBDC)] (1-H2O), obtained after the thermal post-treatment of 1 in a reversible phase transition process, was determined ab initio based on the powder X-ray diffraction (PXRD) data. The materials were thoroughly characterized using elemental analysis, thermal analysis, and spectroscopic methods: magic-angle spinning NMR and attenuated total reflection-infrared spectroscopy. The specific surface areas and sorption properties of the hydrated and dehydrated samples were determined using the isotherms of gas sorption and dynamic vapor sorption measurements.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="doi">10.1039/C7CE01906H</identifier>
    <identifier type="url">http://pubs.rsc.org/en/content/articlehtml/2017/ce/c7ce01906h</identifier>
    <enrichment key="date_peer_review">12.03.2018</enrichment>
    <author>Abdal-Azim Al-Terkawi</author>
    <author>G. Scholz</author>
    <author>Carsten Prinz</author>
    <author>Annett Zimathies</author>
    <author>Franziska Emmerling</author>
    <author>E. Kemnitz</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51818</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4238</pageFirst>
    <pageLast>4249</pageLast>
    <pageNumber/>
    <edition/>
    <issue>25</issue>
    <volume>22</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Ciprofloxacin salts with benzoic acid derivatives: structural aspects, solid-state properties and solubility performance</title>
    <abstract language="eng">n this work, three new pharmaceutical hydrated salts of ciprofloxacin with selected derivatives of benzoic acid, namely 4-hydroxybenzoic acid, 4-aminobenzoic acid and gallic acid, were obtained and systematically investigated by several solid-state analytical techniques. In situ Raman spectroscopy was applied to elucidate the alternative pathways of the solid forms' formation under mechanochemical conditions. Crystal structure analysis and a CSD survey allowed us to establish a distinct supramolecular motif formed by infinite columnar stacks of ciprofloxacin dimers arranged in the “head-to-tail” manner. An alternative “head-to-head” packing arrangement was only observed in the crystal of the hydrated ciprofloxacin salt with 4-aminobenzoic acid. In addition, the pH-solubility behavior of the solid forms was thoroughly investigated. Furthermore, a distinct structure–property relationship between the specific features of the supramolecular organization of the hydrated salts and their solubility was observed and discussed.</abstract>
    <parentTitle language="eng">Crystengcomm</parentTitle>
    <identifier type="doi">10.1039/D0CE00514B</identifier>
    <enrichment key="date_peer_review">14.12.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>A. Surov</author>
    <author>N. Vasilev</author>
    <author>A. Voronin</author>
    <author>A. Churakov</author>
    <author>Franziska Emmerling</author>
    <author>G. Perlovich</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>50358</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>08013</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>1A</issue>
    <volume>56</volume>
    <type>article</type>
    <publisherName>IOP publishing Ltd</publisherName>
    <publisherPlace>Bristol, UK</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Final report of CCQM-K153 Measurement of Specific Adsorption A [mol/kg] of N-2 and Kr on nonporous SiO2 at LN temperature (to enable a traceable determination of the Specific Surface Area (BET) following ISO 9277)</title>
    <abstract language="eng">CCQM key comparison K-153 Measurement of Specific Adsorption A [mol/kg] of N-2 and Kr on nonporous SiO2 at LN temperature (to enable a traceable determination of the Specific Surface Area (BET) following ISO 9277) has been performed by the Surface Analysis Working Group (SAWG) of the Consultative Committee for Amount of Substance (CCQM). The objective of this key comparison is to compare the equivalency of the National Metrology Institutes (NMIs) and Designated Institutes (DIs) for the measurement of specific adsorption, BET specific surface area) of nonporous substances (sorbents, ceramics, catalytic agents, etc) used in advanced technology. &#13;
In this key comparison, a commercial nonporous silicon dioxide was supplied as a sample. Eight NMIs participated in this key comparison, but only five NMI's have reported in time. All participants used a gas adsorption method, here nitrogen and (or) krypton adsorption at 77.3 K, for analysis according to the international standards ISO 15901-2 and 9277. &#13;
In this key comparison, the degrees of equivalence uncertainties for specific adsorption nitrogen and krypton, BET specific surface area were established.</abstract>
    <parentTitle language="eng">Metrologia</parentTitle>
    <identifier type="doi">10.1088/0026-1394/56/1A/08013</identifier>
    <enrichment key="date_peer_review">10.02.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>E. Sobina</author>
    <author>Annett Zimathies</author>
    <author>Carsten Prinz</author>
    <author>Franziska Emmerling</author>
    <author>R. de Santis Neves</author>
    <author>H. Wang</author>
    <author>K. Mizuno</author>
    <author>L. Devoille</author>
    <author>E. Steel</author>
    <author>A. Ceyhan</author>
    <author>E. Sadak</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nonporous SiO2</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Specific Adsorption of N-2 and Kr</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>BET specific surface area</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>45682</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>13713</pageFirst>
    <pageLast>13718</pageLast>
    <pageNumber/>
    <edition/>
    <issue>19</issue>
    <volume>53</volume>
    <type>article</type>
    <publisherName>Springer Link</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Studies on the mechanochemical Knoevenagel condensation of fluorinated benzaldehyde derivates</title>
    <abstract language="eng">The mechanochemical Knoevenagel condensation of three fluorinated benzaldehyde derivates and malononitrile was investigated. The reactions were performed under solvent- and catalyst-free conditions and resulted in highly crystalline products after crystallization from a viscous phase in the milling jar.&#13;
The quality of the obtained crystals was sufficient for single-crystal X-ray diffraction circumventing a recrystallization step. To gain more information on the reaction, progress was investigated in situ using time-resolved Raman spectroscopy. The results show a direct conversion of the reactants.</abstract>
    <parentTitle language="eng">Journal of Materials Science</parentTitle>
    <identifier type="doi">10.1007/s10853-018-2492-0</identifier>
    <identifier type="issn">0022-2461</identifier>
    <enrichment key="date_peer_review">10.08.2018</enrichment>
    <author>Franziska Emmerling</author>
    <author>Sebastian Haferkamp</author>
    <author>Werner Kraus</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>C-C coupling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Knoevenagel condensation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>55649</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Tuning ceria catalysts in aqueous media at the nanoscale: how do surface charge and surface defects determine peroxidase- and haloperoxidase-like reactivity</title>
    <abstract language="eng">Designing the shape and size of catalyst particles, and their interfacial charge, at the nanometer scale can radically change their performance. We demonstrate this with ceria nanoparticles. In aqueous media, nanoceria is a functional mimic of haloperoxidases, a group of enzymes that oxidize organic substrates, or of peroxidases that can degrade reactive oxygen species (ROS) such as H2O2 by oxidizing an organic substrate. We show that the chemical activity of CeO2−x nanoparticles in haloperoxidase- and peroxidaselike reactions scales with their active surface area, their surface charge, given by the ζ-potential, and their surface defects (via the Ce3+/Ce4+ ratio). Haloperoxidase-like reactions are controlled through the ζ-potential as they involve the adsorption of charged halide anions to the CeO2 surface, whereas peroxidase-like reactions without charged substrates are controlled through the specific surface area SBET. Mesoporous CeO2−x particles, with large surface areas, were prepared via template-free hydrothermal reactions and characterized by small-angle X-ray scattering. Surface area, ζ-potential and the Ce3+/Ce4+ ratio are controlled in a simple and predictable manner by the synthesis time of the hydrothermal reaction as demonstrated by X-ray photoelectron spectroscopy, sorption and ζ-potential measurements. The surface area increased with synthesis time, whilst the Ce3+/Ce4+ ratio scales inversely with decreasing ζ-potential. In this way the catalytic activity of mesoporous CeO2−x particles could be tailored selectively for haloperoxidase- and peroxidase-like reactions. The ease of tuning the surface properties of mesoporous CeO2x particles by varying the synthesis time makes the synthesis a powerful general tool for the preparation of nanocatalysts according to individual needs.</abstract>
    <parentTitle language="eng">Nanoscale</parentTitle>
    <identifier type="doi">10.1039/D2NR03172H</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">19.09.2022</enrichment>
    <author>E. Pütz</author>
    <author>Glen Jacob Smales</author>
    <author>O. Jegel</author>
    <author>Franziska Emmerling</author>
    <author>W. Tremel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ceria</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zeta potential</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
  </doc>
  <doc>
    <id>46244</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>3578</pageFirst>
    <pageLast>3587</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>4</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace>Washington, USA</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Multifunctional rare-earth element nanocrystals for cell labeling and multimodal imaging</title>
    <abstract language="eng">In this work, we describe a simple solvothermal route for the synthesis of Eu3+-doped gadolinium orthovanadate nanocrystals (Eu:GdVO4−PAA) functionalized with poly(acrylic)acid (PAA), that are applicable as cell labeling probes for multimodal cellular imaging. The Eu3+ doping of the vanadate matrix provides optical functionality, due to red photoluminescence after illumination with UV light. The Gd3+ ions of the nanocrystals reduce the T1 relaxation time of surrounding water protons, allowing these nanocrystals to act as a positive MRI contrast agent with a r1 relaxivity of 1.97 mM−1 s−1. Low background levels of Eu3+, Gd3+, and V5+ in biological systems make them an excellent label for elemental microscopy by Laser Ablation (LA)-ICP-MS. Synthesis resulted in polycrystalline nanocrystals with a hydrodynamic diameter of 55 nm and a crystal size of 36.7 nm, which were further characterized by X-ray diffraction (XRD), photoluminescence spectroscopy (PL) and transmission electron microscopy (TEM). The multifunctional nanocrystals were subsequently used for intracellular labeling of both human adipose-derived stem cells (MSCs) and A549 (adenocarcinomic human alveolar basal epithelial) cells.</abstract>
    <parentTitle language="eng">ACS Biomaterials Science &amp; Engineering</parentTitle>
    <identifier type="doi">10.1021/acsbiomaterials.8b00495</identifier>
    <identifier type="issn">2373-9878</identifier>
    <enrichment key="date_peer_review">25.10.2018</enrichment>
    <author>B. Grunert</author>
    <author>Jessica Saatz</author>
    <author>Katrin Hoffmann</author>
    <author>F. Appler</author>
    <author>Dominik Lubjuhn</author>
    <author>Norbert Jakubowski</author>
    <author>Ute Resch-Genger</author>
    <author>Franziska Emmerling</author>
    <author>A. Briel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bioimaging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticle</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multimodal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lanthanide</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>51023</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>128303</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>1217</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Mechanochemical and solution syntheses of two novel cocrystals of orcinol with two N,N0-Dipyridines: Structural diversity with varying ligand flexibility</title>
    <abstract language="eng">We studied the influence of coformers flexibility on the supramolecular assembly of 5-substituted resorcinol. Two cocrystals of orcinol (ORL) with two dipyridine molecules, i.e. 1,2-di(4-pyridyl)ethane (ORLeBPE) and 1,2-di(4-pyridyl)ethylene (ORLeBPY), were prepared by mechanochemical synthesis and slow evaporation of solvent. The new crystalline solids were thoroughly characterized by single crystal Xray diffraction (SCXRD), powder X-ray diffraction analysis (PXRD), Fourier-transform infrared spectroscopy (FT-IR), differential thermal analysis (DTA), and thermogravimetric analysis (TGA). Structural determination reveals that in both cocrystals, the phenolepyridine, i.e. OeH/N(py) heterosynthon takes the main role in the formation of cocrystals. In ORLeBPE, the components form infinite 1D zig-zag chains, which are extended to 2D layer structure by inter-chain CeH/O interactions between BPE hydrogen atoms and hydroxyl oxygen atoms of ORL. In ORLeBPY, the components form a 0D fourcomponent complex. Formation of the discrete assemblies is attributed to the comparative rigid nature of BPY, which restricts the formation of an extended network.</abstract>
    <parentTitle language="eng">Journal of Molecular Structure</parentTitle>
    <identifier type="doi">10.1016/j.molstruc.2020.128303</identifier>
    <identifier type="issn">0022-2860</identifier>
    <enrichment key="date_peer_review">20.07.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Max Rautenberg</author>
    <author>Biswajit Bhattacharya</author>
    <author>Irinia Akhmetova</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cocrystal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single crystal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray diffraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>39708</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>15</pageFirst>
    <pageLast>24</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1-3</issue>
    <volume>232</volume>
    <type>article</type>
    <publisherName>De Gruyter</publisherName>
    <publisherPlace>Berlin</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Control of organic polymorph formation: crystallization pathways in acoustically levitated droplets</title>
    <abstract language="eng">Theoretical and experimental studies indicate that crystal nucleation can take more complex pathways than expected on the ground of the classical nucleation theory. Among these pathways are the formation of pre-nucleation clusters and amorphous precursor phases. A direct in situ observation of the different pathways of nucleation from solution is challenging since the paths can be influenced by heterogeneous nucleation sites, such as container walls. Here, we provide insights into the crystallization process using the in situ combination of an acoustic levitator, Raman spectroscopy, and X-ray scattering. The contactless sample holder enables the observation of homogeneous crystallization processes and the detection of intermediates and final crystalline forms. We provide evidence for the existence of multiple pathways of nucleation based on the investigation of the crystallization of organic molecules from different solvents. Starting from a diluted solution, a supersaturation is reached during the experiment due to the evaporation of the solvent. The highly supersaturated solution reveals different pathways of crystallization. Depending on the degree of supersaturation either the thermodynamically stable or the metastable crystal form is observed.</abstract>
    <parentTitle language="eng">Zeitschrift für Kristallographie - Crystalline Materials</parentTitle>
    <identifier type="doi">10.1515/zkri-2016-1964</identifier>
    <identifier type="issn">2194-4946</identifier>
    <identifier type="issn">2196-7105</identifier>
    <enrichment key="date_peer_review">07.04.2017</enrichment>
    <author>Thi Yen Nguyen</author>
    <author>Ernst Roessler</author>
    <author>Klaus Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ XRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyamorphism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Raman spectroscopy</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>48781</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4293</pageFirst>
    <pageLast>4299</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>19</volume>
    <type>article</type>
    <publisherName>ACS Publications</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A Comparative Study of the Ionic Cocrystals NaX (α-d-Glucose)2 (X = Cl, Br, I)</title>
    <abstract language="eng">The mechanochemical formation of the ionic cocrystals of glucose (Glc) and sodium salts Glc2NaCl·H2O (1) and Glc2NaX (X = Br (2), I (3)) is presented. Products are formed by co-milling Glc with three sodium salts (NaCl, NaBr, NaI). The ionic cocrystals were obtained under both neat grinding and liquid-assisted grinding conditions, the later found to accelerate the reaction kinetics. The crystal structures of the ionic cocrystals (2) and (3) were solved from powder X-ray diffraction data. The structure solution contrasts with the structure of Glc2NaCl·H2O (1) where the electron density at three halide crystallographic sites is modeled as of being the intermediate between water molecule and a chloride ion. The reaction pathways of the three ionic cocrystals were investigated in real time using our tandem approach comprising a combination of in situ synchrotron powder X-ray diffraction and Raman spectroscopy. The results indicate the rapid formation of each cocrystal directly from their respective starting materials without any intermediate moiety formation. The products were further characterized by DTA-TG and elemental analysis.</abstract>
    <parentTitle language="eng">Crystal growth &amp; design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.8b01929</identifier>
    <enrichment key="date_peer_review">29.08.2019</enrichment>
    <author>Kevin Linberg</author>
    <author>Naveed Zafar Ali</author>
    <author>M. Etter</author>
    <author>Adam Michalchuk</author>
    <author>K. Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Co-crystal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Glucose</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>39251</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1664</pageFirst>
    <pageLast>1667</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</issue>
    <volume>53</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Warming up for mechanosynthesis – temperature development in ball mills during synthesis</title>
    <abstract language="eng">We present a first direct measurement of the temperature during milling combined with in situ Raman spectroscopy monitoring. The data reveal a low temperature increase due to the mechanical impact and clear temperature increases as a consequence of the reaction heat. Based on the data, temperature rises as  postulated in the magma plasma and hot spot theory can be excluded for soft matter milling syntheses.</abstract>
    <parentTitle language="eng">Chemical Communications</parentTitle>
    <identifier type="doi">10.1039/c6cc08950j</identifier>
    <identifier type="issn">1364-548X</identifier>
    <identifier type="issn">1359-7345</identifier>
    <identifier type="issn">0009-241X</identifier>
    <enrichment key="date_peer_review">06.04.2017</enrichment>
    <author>Hannes Kulla</author>
    <author>Manuel Wilke</author>
    <author>Franziska Fischer</author>
    <author>Mathias Röllig</author>
    <author>Christiane Maierhofer</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Milling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Soft matter</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>39863</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>255</pageFirst>
    <pageLast>265</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1-3</issue>
    <volume>232</volume>
    <type>article</type>
    <publisherName>De Gruyter</publisherName>
    <publisherPlace>Berlin</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Snapshots of calcium carbonate Formation - a step by step analysis</title>
    <abstract language="eng">Recent advances in our understanding of CaCO, nucleation from solution have provoked new and challenging questions. We have studied CaC03 formation using precipitation by carbonate ester hydrolysis which ensures precipitation from a strictly homogeneous solution state and allows “titrating” carbonate to a solution with a given Ca2+ concentration on a timescale suited for kinetic studies. Nucleation and crystallization were traced by combining dynamic light Scattering (DLS) and transmission electron microscopy (TEM). DLS served as in situ technique to identify the nucleation time, to monitor particle size evolution, to discriminate different precipitation mechanisms and to validate reproducibility. TEM snapshots taken during different stages of the precipitation process identified different phases and morphologies. At a high level of supersaturation homogeneous nucleation in solution led to the formation of amorphous CaC03 particles (diameter=30 nm), which transformed via vaterite to calcite. Nucleation occurred uniformly in solution which appears to be unique for the CaC03 System. In the presence of Na-polymethacrylate (Na-PMA), heterogeneous nucleation was suppressed and Ca-polymer aggregates were formed in the prenucleation stage. Beyond a critical threshold supersaturation CaC03 particles formed in solution outside of these aggregates. The nucleation process resembled that without additive, indicating that Na-PMA exerts only a minor effect on the CaC03 nucleation. In the postnucleation stage, the polymer led to the formation of extended liquid-like networks, which served as a precursor phase for solid ACC particles that formed alongside the network.</abstract>
    <parentTitle language="eng">Zeitschrift für Kristallographie - Crystalline Materials</parentTitle>
    <identifier type="doi">10.1515/zkri-2016-1973</identifier>
    <identifier type="issn">2194-4946</identifier>
    <identifier type="issn">2196-7105</identifier>
    <enrichment key="date_peer_review">18.04.2017</enrichment>
    <author>Michael Dietzsch</author>
    <author>Iryna Andrusenko</author>
    <author>Robert Branscheid</author>
    <author>Franziska Emmerling</author>
    <author>Ute Kolb</author>
    <author>Wolfgang Tremel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>biomineralization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>calcium carbonate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>nucleation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>polymer additives</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>41516</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>6003</pageFirst>
    <pageLast>6012</pageLast>
    <pageNumber/>
    <edition/>
    <issue>18</issue>
    <volume>46</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Ca- and Sr- tetrafluoroisophthalates: mechanochemical synthesis, characterization, and ab initio structure determination</title>
    <abstract language="eng">New fluorinated coordination polymers were prepared mechanochemically by milling the alkaline earth metal hydroxides MII(OH)2·xH2O (MII: Ca, Sr) with tetrafluoroisophthalic acid (H2mBDC-F4). The structures of [{Ca(mBDC-F4)(H2O)2}·H2O] and [{Sr(mBDC-F4)(H2O)2}·H2O] were determined based on ab initio calculations and their powder X-ray diffraction (PXRD) data. The compounds are isomorphous and crystallize in the orthorhombic space group P212121. The determined structures were validated by using extended X-ray absorption (EXAFS) data. The new materials were thoroughly characterized using elemental analysis, thermal analysis, magic angle spinning NMR, and attenuated total reflection-infrared spectroscopy. Further characterization methods such as BET, dynamic vapor sorption, and scanning electron microscopy imaging were also used. Our investigations indicate that mechanochemistry is an efficient method for preparing such materials.</abstract>
    <parentTitle language="eng">DALTON TRANSACTIONS</parentTitle>
    <identifier type="doi">10.1039/c7dt00734e</identifier>
    <identifier type="url">http://pubs.rsc.org/-/content/articlehtml/2017/dt/c7dt00734e</identifier>
    <enrichment key="date_peer_review">22.08.2017</enrichment>
    <author>Abdal-Azim Al-Terkawi</author>
    <author>G. Scholz</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Stefan Reinsch</author>
    <author>E. Kemnitz</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Coordination polymers</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>41517</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2987</pageFirst>
    <pageLast>2995</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>19</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Crystalline bilayers unzipped and rezipped: solid-state reaction cycle of a metal–organic framework with triple rearrangement of intralayer bonds</title>
    <abstract language="eng">We present a series of remarkable structural transformations for a family of layered metal–organic frameworks (MOFs) in a three-step solid-state reaction cycle. The cycle represents new dynamic behavior of 2D coordination polymers and involves the sequence of reactions: {[Mn2(ina)4(H2O)2]·2EtOH}n (JUK-1) → {(NH4)2[Mn(ina)2(NCS)2]}n·xH2O (JUK-2) → {[Mn2(ina)2(Hina)2(NCS)2]}n (JUK-3) → JUK-1 (Hina = isonicotinic acid), each accompanied by rearrangement of intralayer coordination bonds and each induced by a different external stimulus. In situ investigation of the first step of the cycle by combined synchrotron X-ray diffraction and Raman spectroscopy reveals direct mechanochemical unzipping of JUK-1 bilayers to respective JUK-2 layers with reaction rates dependent on the milling conditions. In contrast, the reverse zipping of JUK-2 layers involves two steps and proceeds through a new MOF (JUK-3) whose structure was elucidated by powder X-ray diffraction. Magnetic measurements confirm conversions of manganese nodes in the reaction cycle. The findings indicate the possibility of developing coordination-based assemblies with large structural responses for use in smart stimuli-responsive systems and sensor technologies.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="doi">10.1039/C7CE00655A</identifier>
    <identifier type="url">http://pubs.rsc.org/is/content/articlehtml/2017/ce/c7ce00655a</identifier>
    <enrichment key="date_peer_review">22.08.2017</enrichment>
    <author>D. Matoga</author>
    <author>K. Roztocki</author>
    <author>Manuel Wilke</author>
    <author>Franziska Emmerling</author>
    <author>M. Oszajca</author>
    <author>M. Fitta</author>
    <author>M. Bałanda</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MOF</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>41490</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>12013</pageFirst>
    <pageLast>12020</pageLast>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>52</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace>New York</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Crystal structure and in situ investigation of a mechanochemical synthesized 3D zinc N-(phosphonomethyl)glycinate</title>
    <abstract language="eng">The mechanochemical synthesis of the zinc N-(phosphonomethyl)glycinate Zn(O₃PCH₂NH₂CH₂CO₂) H₂O is presented. The structure was solved from powder X-ray diffraction (PXRD) data. In the three-dimensional pillared structure, the Zn atoms are coordinated tetrahedrally. In situ investigations of the reaction process with synchrotron PXRD and Raman spectroscopy reveal a two-step process including the formation of an intermediate.</abstract>
    <parentTitle language="eng">Journal of Materials Science</parentTitle>
    <identifier type="doi">10.1007/s10853-017-1121-7</identifier>
    <identifier type="issn">0022-2461</identifier>
    <identifier type="issn">1573-4803</identifier>
    <enrichment key="date_peer_review">22.08.2017</enrichment>
    <author>Manuel Wilke</author>
    <author>Anke Kabelitz</author>
    <author>Annett Zimathies</author>
    <author>K. Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal phosphonate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>41197</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>3902</pageFirst>
    <pageLast>3907</pageLast>
    <pageNumber/>
    <edition/>
    <issue>28</issue>
    <volume>19</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The effect of the ball to reactant ratio on mechanochemical reaction times studied by in situ PXRD</title>
    <abstract language="eng">The effect of the reactant powder mass on reaction times for the mechanochemical formation of a soft matter model system was studied by in situ PXRD. The syntheses were performed at a constant ball mass in a shaker mill with and without glassy SiO2 as an inert additive. Reaction times decreased with the increase of the ball to reactant ratio (BRR). The kinetic influence of the SiO2 powder was excluded. The decrease in the reaction time with decreasing mass of reactants was related to the rise in the stress energy transferred to the powder by a higher ball impact. The BRR had no effect on the induction time. But the product conversion was accelerated by raising the BRR. While a certain temperature is needed for the activation of reactants in the induction phase, the conversion of soft matter reactants is rather controlled by impact than temperature.</abstract>
    <parentTitle language="eng">Crystengcomm</parentTitle>
    <identifier type="doi">10.1039/c7ce00502d</identifier>
    <identifier type="url">http://pubs.rsc.org/en/content/articlehtml/2017/ce/c7ce00502d</identifier>
    <enrichment key="date_peer_review">07.08.2017</enrichment>
    <author>Hannes Kulla</author>
    <author>Franziska Fischer</author>
    <author>Sigrid Benemann</author>
    <author>K. Rademann</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>XRD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>50482</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1788</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>10</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Combining Chemical Information From Grass Pollen in Multimodal Characterization</title>
    <abstract language="eng">The analysis of pollen chemical composition is important to many fields, including agriculture, plant physiology, ecology, allergology, and climate studies. Here, the potential of a combination of different spectroscopic and spectrometric methods regarding the characterization of small biochemical differences between pollen samples was evaluated using multivariate statistical approaches. Pollen samples, collected from three populations of the grass Poa alpina, were analyzed using Fourier-transform infrared (FTIR) spectroscopy, Raman spectroscopy, surface enhanced Raman scattering (SERS), and matrix assisted laser desorption/ionization mass spectrometry (MALDI-TOF MS). The variation in the sample set can be described in a hierarchical framework comprising three populations of the same grass species and four different growth conditions of the parent plants for each of the populations. Therefore, the data set can work here as a model system to evaluate the classification and characterization ability of the different spectroscopic and spectrometric methods. ANOVA Simultaneous Component Analysis (ASCA) was applied to achieve a separation of different sources of variance in the complex sample set. Since the chosen methods and sample preparations probe different parts and/or molecular constituents of the pollen grains, complementary information about the chemical composition of the pollen can be obtained. By using consensus principal component analysis (CPCA), data from the different methods are linked together. This enables an investigation of the underlying global information, since complementary chemical data are combined. The molecular information from four spectroscopies was combined with phenotypical information gathered from the parent plants, thereby helping to potentially link pollen chemistry to other biotic and abiotic parameters.</abstract>
    <parentTitle language="eng">Frontiers in Plant Science</parentTitle>
    <identifier type="doi">10.3389/fpls.2019.01788</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-504822</identifier>
    <enrichment key="date_peer_review">02.03.2020</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>S. Diehn</author>
    <author>B. Zimmermann</author>
    <author>V. Tafintseva</author>
    <author>S. Seifert</author>
    <author>M. Bagcioglu</author>
    <author>M. Ohlson</author>
    <author>Steffen Weidner</author>
    <author>S. Fjellheim</author>
    <author>A. Kohler</author>
    <author>Janina Kneipp</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pollen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>FTIR</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Raman</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multivariate analyses</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Umwelt</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/50482/Diehn_Frontiers 2020.pdf</file>
  </doc>
  <doc>
    <id>50850</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2000152</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Ring-Opening Polymerisation-Polycondensation (ROPPOC) Approach to cyclic Polymers</title>
    <abstract language="eng">A new concept called “Ring-Opening Polymerization (ROP) combined with simultaneous POlyCondensation” (ROPPOC) is presented and discussed. This synthetic strategy is based on the intermediate formation of chains having two end groups that can react with each other. The ROPPOC syntheses are subdivided into three groups according to the nature of the chain ends: two ionic end groups, one ionic and one covalent chain end and a combination of two reactive covalent end groups may be involved, depending on the catalyst. The usefulness for the preparation of cyclic polymers is discussed with a review of numerous previously published examples. These examples concern to following classes of cyclic polymers: polypeptides, polyamides, polyesters, including polycarbonates, and cyclic polysiloxanes. It is demonstrated, that the results of certain ROPPOC syntheses are in contradiction to the Jacobson-Stockmayer theory. Finally, the usefulness of ROPPOCs for the detection of polydisperse catenanes is discussed.</abstract>
    <parentTitle language="eng">Macromolecular Rapid Communications</parentTitle>
    <identifier type="doi">10.1002/marc.202000152</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-508509</identifier>
    <enrichment key="date_peer_review">10.06.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring-opening Polymerisation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ROPPOC</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclic</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/50850/Kricheldorf_MRC_The ROPPOC approach to cyclic polymers_2020.pdf</file>
  </doc>
  <doc>
    <id>51951</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>50394</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>19</issue>
    <volume>138</volume>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">High molecular weight poly(l-lactide) via ring-opening polymerization with bismuth subsalicylate-The role of cocatalysts</title>
    <abstract language="eng">The catalytic potential of bismuth subsalicylate (BiSub), a commercial drug, for ring-opening polymerization (ROP) of L-lactide was explored by variation of co-catalyst and polymerization time. Various monofunctional phenols or carboxylic acids, aromatic ortho-hydroxy acids and diphenols were examined as potential co-catalysts. 2,2´-Dihydroxybiphenyl proved to be the most successful co-catalyst yielding weight average molecular weights (uncorrected Mw values up to 185 000) after optimization of reaction time and temperature. Prolonged heating (&gt;1-2h) depending on catalyst concentration) caused thermal degradation. In polymerization experiments with various commercial Bi(III) salts a better alternative to BiSub was not found. By means of matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry a couple of unusual and unexpected transesterification reactions were discovered. Finally, the effectiveness of several antioxidants and potential catalyst poisons was explored, and triphenylphosphine was found to be an effective catalyst poison.</abstract>
    <parentTitle language="eng">Journal of Applied Polymer Science</parentTitle>
    <identifier type="doi">10.1002/app.50394</identifier>
    <identifier type="issn">0021-8995</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-519513</identifier>
    <enrichment key="date_peer_review">06.01.2021</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring-opening polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bismuth</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51951/CALXVIII-High mol weight PL via ROP with bismuth subsalicylate-The role of cocatalysts.pdf</file>
  </doc>
  <doc>
    <id>52083</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley Online Library</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">ROP of L-lactide and ε-caprolactone catalyzed by tin(ii) and tin(iv) acetates–switching from COOH terminated linear chains to cycles</title>
    <abstract language="eng">The catalytic potential of tin(II)acetate, tin(IV)acetate, dibutyltin-bis-acetate and dioctyl tin-bis-acetate was compared  based on polymerizations of L-lactide conducted in bulk at 160 or 130C. With SnAc2 low-Lac/Cat ratios (15/1–50/1) were studied and linear chains having one acetate and one carboxyl end group almost free of cyclics were obtained. Higher monomer/catalyst ratios and lower temperatures favored formation of cycles that reached weight average molecular weights (Mw's) between 100,000 and 2,500,000. SnAc4 yielded mixtures of cycles and linear species under all reaction conditions. Dibutyltin- and dioctyl tin bis-acetate yielded cyclic polylactides under most reaction conditions with Mw's in the range of 20,000–80,000. Ring-opening polymerizations performed with ε-caprolactone showed similar trends, but the formation of COOH-terminated linear chains was significantly more favored compared to analogous experiments with lactide. The reactivity of the acetate catalysts decreased in the following order: SnAc2&gt; SnAc4&gt;Bu2SnAc2 Oct2SnAc2.</abstract>
    <parentTitle language="eng">Journal of Polymer Science A: Polymer Chemistry</parentTitle>
    <identifier type="doi">10.1002/pol.20200866</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-520831</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">11.03.2021</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Catalyst</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring-opening polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tin acetates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/52083/pol.20200866.pdf</file>
  </doc>
  <doc>
    <id>52027</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>307</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>22</volume>
    <type>article</type>
    <publisherName>WileyVCH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Ring-expansion copolymerization of L-lactide and glycolide</title>
    <abstract language="eng">1:1 Copolymerizations of glycolide (GL) and L-lactide (LA) is performed in bulk at 100°C and at 160°C with four cyclic tin catalysts. The resulting copolyesters are characterized by SEC measurements, 1H and 13C NMR spectroscopy and by MALDI TOF mass spectrometry. At 160°C and longer reaction time (22 h) nearly complete conversion of both monomers is achieved, and cyclic copolymers with nearly random sequences are formed. At shorter times (0.5-3.0 h, depending on catalyst) the conversion of LA is incomplete, and only cyclics having even numbers of lactyl units are obtained. At 100°C at 22 h again cycles mainly consisting of even numbered lactyl units are formed, but with even and odd numbers of glycolyl units. Copolymerization of lactide at 160°C with small amounts of GL show that formation of high Tm crystallites (Tm &gt; 190°C) is hindered even when only &gt; 2% of GL is added. For polyglycolide containing a smaller amount of lactide complete solubility in hexafluoroisopropanol is only observed around and above 20 mol% of lactide.</abstract>
    <parentTitle language="eng">Macromolecular Chemistry and Physics</parentTitle>
    <identifier type="doi">10.1002/macp.202000307</identifier>
    <identifier type="issn">1022-1352</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-520270</identifier>
    <enrichment key="date_peer_review">21.01.2021</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>Steffen Weidner</author>
    <author>H. R. Kricheldorf</author>
    <author>F. Scheliga</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring-expansion polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Copolymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>L-lactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Glycolide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/52027/CAL XI_MACP_2021_20000307_REP of PL and Glycolide.pdf</file>
  </doc>
  <doc>
    <id>51398</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>6226</pageFirst>
    <pageLast>6228</pageLast>
    <pageNumber/>
    <edition/>
    <issue>38</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Reply to the comment on “synthesis of cyclic polymers and flaws of the Jacobson-Stockmayer theory” by R. Szymanski</title>
    <abstract language="eng">In a recent publication the authors have presented theoretical and experimental results indicating that the Jacobson–Stockmayer (JS) theory does not provide a correct description of reversible polycondensations for all polymers and for high conversions (e.g. polycondensation in bulk). In this context reversibility means that all condensation step whether resulting in chain growth or in cyclization are reversible and thus, part of an equilibrium. The first two sections of that paper were focused on the demonstration that small, and above all, large cycles can be formed by end-to-end (ete) cyclization in reversible like in irreversible polycondensations. A significant contribution of ete-cyclization to the course of reversible polycondensations was denied by J + S apparently as a contribution to Florýs dogma, that the end groups of long polymer chains will never meet.</abstract>
    <parentTitle language="eng">RSC Polymer Chemistry</parentTitle>
    <identifier type="doi">10.1039/D0PY01118E</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-513985</identifier>
    <enrichment key="date_peer_review">22.10.2020</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Jacobsen-Stockmayer theory</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51398/Kricheldorf_RSC Polymer Chemistry_2020_Reply to the comment to Jacobsen Stockmayer theory.pdf</file>
  </doc>
  <doc>
    <id>59857</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>9</pageLast>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>38</volume>
    <type>article</type>
    <publisherName>Wiley online library</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Solvent-free sample preparation for matrix-assisted laserdesorption/ionization time-of-flight mass spectrometry ofpolymer blends</title>
    <abstract language="eng">Solvent-free sample preparation offers some advantages over solvent-based techniques, such as improved accuracy, reproducibility and sensitivity, for matrix-assisted laser desorption/ionization (MALDI) analysis. However, little or no information is available on the application of solvent-free techniques for the MALDI analysis of polymer blends. Solvent-free sample preparation by ball milling was applied with varying sample-to-matrix ratios for MALDI time-of-flight mass spectrometry analysis of various  polymers, including  polystyrenes,  poly(methyl  methacrylate)s  and poly(ethylene glycol)s. The peak intensity ratios were compared with those obtained after using the conventional dried droplet sample preparation method. In addition, solvent-assisted milling was also applied to improve sample homogeneities.&#13;
Depending on the sample preparation method used, different peak intensity ratios were found, showing varying degrees of suppression of the signal intensities of higher mass polymers. Ball milling for up to 30 min was required to achieve constant intensity ratios indicating homogeneous mixtures. The use of wet-assisted grinding to improve the homogeneity of the blends was found to be disadvantageous as it caused partial degradation and mass-dependent segregation of the polymers in the vials.The results clearly show that solvent-free sample preparation must be carefully considered when applied to synthetic polymer blends, as it may cause additional problems with regard to homogeneity and stability of the blends.</abstract>
    <parentTitle language="eng">Rapid Communications in Mass Spectrometry</parentTitle>
    <identifier type="doi">10.1002/rcm.9756</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-598570</identifier>
    <identifier type="issn">0951-4198</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">22.04.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Mete-Sungur Dalgic</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sample preparation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer blends</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solvent-free</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/59857/RCM 2024 Dalgic Solventfree for blends.pdf</file>
  </doc>
  <doc>
    <id>59725</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1173</pageFirst>
    <pageLast>1181</pageLast>
    <pageNumber/>
    <edition/>
    <issue>12</issue>
    <volume>15</volume>
    <type>article</type>
    <publisherName>Royal Society for Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Transformation of poly(L-lactide) crystals composed of linear chains into crystals composed of cycles</title>
    <abstract language="eng">A poly(L-lactide) with a trifluoroethyl ester end group and an average degree of polymerization (DP) of 50 was synthesized by ROP of L-lactide initiated with trifluoroethanol. Small-angle X-ray scattering (SAXS) in combination with differential scanning calorimetry (DSC) measurements revealed an average crystal thickness of 13 nm, corresponding to 45 repeat units. This suggests that most crystallites were formed by extended PLA chains, and both flat surfaces were covered by CF3 groups. The crystalline PLAs were annealed at 140 or 160 °C in the presence of two catalysts: tin(II) 2-ethylhexanoate, (SnOct2) or dibutyltin bis(pentafluorophenoxide) (BuSnPhF). The chemical reactions, such as polycondensation and cyclization, proceeded in the solid state and were monitored by matrix-assisted laser desorption/ionization time-offlight (MALDI TOF) mass spectrometry and gel permeation chromatography (GPC) measurements. Under optimal conditions a large fraction of linear chains was transformed into crystallites composed of extended cycles. Additionally, MALDI TOF MS analysis of GPC fractions from samples annealed for 28 or 42 days detected chain elongation of the linear species up to a factor of 20.</abstract>
    <parentTitle language="eng">Polymer Chemistry</parentTitle>
    <identifier type="doi">10.1039/D3PY01370G</identifier>
    <identifier type="issn">1759-9954</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-597250</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">20.03.2024</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Steffen Weidner</author>
    <author>A. Meyer</author>
    <author>H. Kricheldorf</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystalinity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Transesterification</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/59725/Trans of PLA cryst comp of linear chains into cryst comp of cycl.pdf</file>
  </doc>
  <doc>
    <id>50421</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>e8673</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>34</volume>
    <type>article</type>
    <publisherName>Wiley Online Libary</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Matrix-assisted laser desorption/ionization behavior of neat linear and cyclic poly(L-lactide)s and their blends</title>
    <abstract language="eng">Numerous new tin catalysts that enable the synthesis of cyclic polylactides with broad variation in their molecular mass were recently developed. The abundance of cyclics in matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectra is, however, frequently reported to greatly exceed that of linears. Thus, the MALDI ionization behavior of various end-capped linear poly(L-lactide)s and one cyclic poly(L-lactide) was investigated and compared.&#13;
Neat compounds and various blends of cyclic and linear species were prepared and studied under identical conditions with regard to sample preparation and instrumental condition, except for the laser power. For this purpose, two different MALDI-TOF mass spectrometers were applied.&#13;
Our results reveal that cyclics indeed show a slightly better ionization in MALDI, although their ionization as a neat compound seems to be less effective than that of linear polylactides. The ionization of most linear polylactides investigated does not depend on the end group structure. However, linear polylactides containing 12-bromododecyl end groups reveal an unexpected saturation effect that is not caused by fragmentation of the polymer or the end group, or by electronic saturation of the detector digitizer. Furthermore, polylactides with a 2-bromoethyl end group did not show such a saturation effect.&#13;
An overestimation of cyclic species in MALDI-TOF mass spectra of poly(L-lactide)s must be considered, but the commonly assumed peak suppression of linear polymers in mixtures of both structures can be excluded.</abstract>
    <parentTitle language="eng">Rapid Communications in Mass Spectrometry</parentTitle>
    <identifier type="doi">10.1002/rcm.8673</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-504216</identifier>
    <enrichment key="date_peer_review">20.02.2020</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Steffen Weidner</author>
    <author>H. R. Kricheldorf</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Blends</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ionization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/50421/Weidner_et_al-2020-Rapid_Communications_in_Mass_Spectrometry.pdf</file>
  </doc>
  <doc>
    <id>57307</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>6</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society for Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Thermo-Desorption Gas Chromatography-Mass Spectrometry for investigating the thermal degradation of polyurethanes</title>
    <abstract language="eng">Thermo-Desorption Gas Chromatography-Mass Spectrometry (TD-GC-MS) was used to investigate the thermal degradation of two different polyurethanes (PU). PU samples were heated at different heating rates and the desorbed products were collected in a cold injection system and thereafter submitted to GC-MS. Prospects and limitations of the detection and quantification of semi-volatile degradation products were investigated. A temperature dependent PU depolymerization was&#13;
found at temperatures above 200 °C proved by an increasing release of 1,4-butanediol and methylene diphenyl diisocyanate (MDI) representing the main building blocks of both polymers. Their release was monitored quantitatively based on external calibration with authentic compounds. Size Exclusion Chromatography (SEC) of the residues obtained after thermodesorption confirmed the initial competitive degradation mechanism indicating an equilibrium of crosslinking and depolymerization as previously suggested. Matrix-Assisted Laser Desorption Ionization (MALDI) mass spectrometry of SEC fractions of thermally degraded PUs provided additional hints on degradation mechanism.</abstract>
    <parentTitle language="eng">Analytical Methods</parentTitle>
    <identifier type="doi">10.1039/D3AY00173C</identifier>
    <identifier type="issn">1759-9660</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.04.2023</enrichment>
    <author>Roland Becker</author>
    <author>Philipp Scholz</author>
    <author>Christian Jung</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermo-desorption</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyurethanes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermal degradation</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.7 Organische Spuren- und Lebensmittelanalytik</collection>
    <collection role="institutes" number="">4 Material und Umwelt</collection>
    <collection role="institutes" number="">4.4 Thermochemische Reststoffbehandlung und Wertstoffrückgewinnung</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>26273</id>
    <completedYear/>
    <publishedYear>2012</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1482</pageFirst>
    <pageLast>1488</pageLast>
    <pageNumber/>
    <edition/>
    <issue>14</issue>
    <volume>213</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Poly(epsilon-caprolactone) by combined ring-opening polymerization and polycondensation</title>
    <abstract language="eng">Numerous water-initiated polymerizations of εCL are conducted in bulk with variation of catalyst, reaction time, and temperature. The conversions are determined by 1H NMR and the molar masses by SEC measurements. For polymerizations at 100 °C, Bi triflate and Hf triflate are used as catalysts, whereas at 140 °C, Al triflate, Sn(II) triflate, SnCl2, HfCl4, BiCl3, and LaCl3 are used. In addition to a closed reaction vessel, experiments are also performed with stirring in a vacuum. Under these conditions, the best catalyst (SnCl2) yields 2–3 times higher molar masses and mass spectra indicate a significant higher fraction of cyclic polymers. The results prove that a modification of the procedure may stimulate a polycondesation process without change of catalyst, time, and temperature.</abstract>
    <parentTitle language="eng">Macromolecular chemistry and physics</parentTitle>
    <identifier type="old">29025</identifier>
    <identifier type="doi">10.1002/macp.201200061</identifier>
    <identifier type="issn">1022-1352</identifier>
    <identifier type="issn">1521-3935</identifier>
    <enrichment key="date_peer_review">09.08.2012</enrichment>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <author>F. Scheliga</author>
    <author>M. Lahcini</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Epsilon-Caprolactone</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polycondensations</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ring-opening polymerizations</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>35520</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>451</pageFirst>
    <pageLast>461</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>7</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Controlled radical polymerization and in-depth mass-spectrometric characterization of poly(ionic liquid)s and their photopatterning on surfaces</title>
    <abstract language="eng">The preparation and characterization of poly(ionic liquid)s (PILs) bearing a polystyrene backbone via reversible addition fragmentation chain transfer (RAFT) polymerization and their photolithographic patterning on silicon wafers is reported. The controlled radical polymerization of the styrenic ionic liquid (IL) monomers ([BVBIM]X, X = Cl− or Tf2N−) by RAFT polymerization is investigated in detail. We provide a general synthetic tool to access this class of PILs with controlled molecular weight and relatively narrow molecular weight distribution (2000 g mol−1 ≤ Mn ≤ 10 000 g mol−1 with dispersities between 1.4 and 1.3 for p([BVBIM]Cl); 2100 g mol−1 ≤ MP ≤ 14 000 g mol−1 for p([BVBIM]Tf2N)). More importantly, we provide an in-depth characterization of the PILs and demonstrate a detailed mass spectrometric analysis via matrix-assisted laser desorption ionization (MALDI) as well as – for the first time for PILs – electrospray ionization mass spectrometry (ESI-MS). Importantly, p([BVBIM]Cl) and p([DMVBIM]Tf2N) were photochemically patterned on silicon wafers. Therefore, a RAFT agent carrying a photoactive group based on ortho-quinodimethane chemistry – more precisely photoenol chemistry – was photochemically linked for subsequent controlled radical polymerization of [BVBIM]Cl and [DMVBIM]Tf2N. The successful spatially-resolved photografting is evidenced by surface-sensitive characterization methods such as X-ray photoelectron spectroscopy (XPS) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The presented method allows for the functionalization of diverse surfaces with poly(ionic liquid)s.</abstract>
    <parentTitle language="eng">Polymer Chemistry</parentTitle>
    <identifier type="doi">10.1039/C5PY01320H</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-355202</identifier>
    <enrichment key="date_peer_review">28.04.2016</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>J. Steinkönig</author>
    <author>F. R. Bloesser</author>
    <author>B. Huber</author>
    <author>A. Welle</author>
    <author>V. Trouillet</author>
    <author>Steffen Weidner</author>
    <author>L. Barner</author>
    <author>P. W. Roesky</author>
    <author>J. Yuan</author>
    <author>A. S. Goldmann</author>
    <author>C. Barner-Kowollik</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>reversible addition fragmentation chain transfer (RAFT) polymerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>polyionic liquids</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>surface modification</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/35520/weidner_Controlled radical polymerization.pdf</file>
  </doc>
  <doc>
    <id>39154</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>Artikel Nr. 13672</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>7</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Coding and decoding libraries of sequence-defined functional copolymers synthesized via photoligation</title>
    <abstract language="eng">Designing artificial macromolecules with absolute sequence order represents a considerable challenge. Here we report an advanced light-induced avenue to monodisperse sequencedefined functional linear macromolecules up to decamers via a unique photochemical approach. The versatility of the synthetic strategy—combining sequential and modular concepts—enables the synthesis of perfect macromolecules varying in chemical constitution and topology. Specific functions are placed at arbitrary positions along the chain via the successive addition of monomer units and blocks, leading to a library of functional homopolymers, alternating copolymers and block copolymers. The in-depth characterization of each sequence-defined chain confirms the precision nature of the macromolecules. Decoding of the functional information contained in the molecular structure is achieved via tandem mass spectrometry without recourse to their synthetic history, showing that the sequence information can be read.We submit that the presented photochemical strategy is a viable and advanced concept for coding individual monomer units along a macromolecular chain.</abstract>
    <parentTitle language="eng">Nature Communications</parentTitle>
    <identifier type="doi">10.1038/ncomms13672</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-391542</identifier>
    <identifier type="issn">2041-1723</identifier>
    <enrichment key="date_peer_review">05.09.2019</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>N. Zydziak</author>
    <author>W. Konrad</author>
    <author>F. Feist</author>
    <author>S. Afonin</author>
    <author>Steffen Weidner</author>
    <author>C. Barner-Kowollik</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photoligation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Copolymer sequence</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS/MS</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/39154/Zdyziak_Nature Comm 2016.pdf</file>
  </doc>
  <doc>
    <id>46529</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>16591, 1</pageFirst>
    <pageLast>11</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>8</volume>
    <type>article</type>
    <publisherName>Nature</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) shows adaption of grass pollen composition</title>
    <abstract language="eng">MALDI time-of-flight mass spectrometry (MALDI-TOF MS) has become a widely used tool for the classification of biological samples. The complex chemical composition of pollen grains leads to highly specific, fingerprint-like mass spectra, with respect to the pollen species. Beyond the species-specific composition, the variances in pollen chemistry can be hierarchically structured, including the level of different populations, of environmental conditions or different genotypes. We demonstrate here the sensitivity of MALDI-TOF MS regarding the adaption of the chemical composition of three Poaceae (grass) pollen for different populations of parent plants by analyzing the mass spectra with partial least squares discriminant analysis (PLS-DA) and principal component analysis (PCA). Thereby, variances in species, population and specific growth conditions of the plants were observed simultaneously. In particular, the chemical pattern revealed by the MALDI spectra enabled discrimination of the different populations of one species. Specifically, the role of environmental changes and their effect on the pollen chemistry of three different grass species is discussed. Analysis of the Group formation within the respective populations showed a varying influence of plant genotype on the classification, depending on the species, and permits conclusions regarding the respective rigidity or plasticity towards environmental changes.</abstract>
    <parentTitle language="eng">Scientific Reports</parentTitle>
    <identifier type="doi">10.1038/s41598-018-34800-1</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-465294</identifier>
    <identifier type="issn">2045-2322</identifier>
    <enrichment key="date_peer_review">16.11.2018</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Sabrina Diehn</author>
    <author>B. Zimmermann</author>
    <author>M. Bagcioglu</author>
    <author>Stephan Seifert</author>
    <author>A. Kohler</author>
    <author>M. Ohlson</author>
    <author>S. Fjellheim</author>
    <author>Steffen Weidner</author>
    <author>Janina Kneipp</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pollen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Classification</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Partial least square discriminant analysis (PLS-DA)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Principal component analysis (PCA)</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/46529/Diehn_Scientific reports-2018.pdf</file>
  </doc>
  <doc>
    <id>30478</id>
    <completedYear/>
    <publishedYear>2014</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>7324</pageFirst>
    <pageLast>7333</pageLast>
    <pageNumber/>
    <edition/>
    <issue>16</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>The Royal Soc. of Chemistry</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Vibrational density of states of triphenylene based discotic liquid crystals: dependence on the length of the alkyl chain</title>
    <abstract language="eng">The vibrational density of states of a series of homologous triphenylene-based discotic liquid crystals HATn (n = 5, 6, 8, 10, 12) depending on the length of the aliphatic side chain is investigated by means of inelastic neutron scattering. All studied materials have a plastic crystalline phase at low temperatures, followed by a hexagonally ordered liquid crystalline phase at higher temperatures and a quasi isotropic phase at the highest temperatures. The X-ray scattering pattern for the plastic crystalline phase of all materials shows a sharp Bragg reflection corresponding to the intercolumnar distance in the lower q-range and a peak at circa 17 nm-1 related to intracolumnar distances between the cores perpendicular to the columns as well as a broad amorphous halo related to the disordered structure of the methylene groups in the side chains in the higher q-range. The intercolumnar distance increases linearly with increasing chain length for the hexagonal columnar ordered liquid crystalline phase. A similar behaviour is assumed for the plastic crystalline phase. Besides n = 8 all materials under study exhibit a Boson peak. With increasing chain length, the frequency of the Boson peak decreases and its intensity increases. This can be explained by a self-organized confinement model. The peaks for n = 10, 12 are much narrower than for n = 5, 6 which might imply the transformation from a rigid system to a softer one with increasing chain length. Moreover the results can also be discussed in the framework of a transition from an uncorrelated to a correlated disorder with increasing n where n = 8 might be speculatively considered as a transitional state.</abstract>
    <parentTitle language="eng">Physical chemistry, chemical physics</parentTitle>
    <identifier type="old">33451</identifier>
    <identifier type="doi">10.1039/c3cp55303e</identifier>
    <identifier type="issn">1463-9076</identifier>
    <identifier type="issn">1463-9084</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-304789</identifier>
    <enrichment key="date_peer_review">07.04.2014</enrichment>
    <licence>Creative Commons - Namensnennung - Nicht kommerziell 3.0</licence>
    <author>Christina Krause</author>
    <author>R. Zorn</author>
    <author>Franziska Emmerling</author>
    <author>Jana Falkenhagen</author>
    <author>B. Frick</author>
    <author>P. Huber</author>
    <author>Andreas Schönhals</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neutron scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Differential scanning calorimetry</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/30478/Vibrational Density of States of Triphenylene Based Discotic Liquid Crystals  Dependence on the Length of the Alkyl Chain_Krause.pdf</file>
  </doc>
  <doc>
    <id>50641</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2595</pageFirst>
    <pageLast>2604</pageLast>
    <pageNumber/>
    <edition/>
    <issue>14</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>Royal Society for Chemistry</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Synthesis of cyclic polymers and flaws of the Jacobson–Stockmayer theory</title>
    <abstract language="eng">Cyclic poly(L-lactide)s were prepared by ring-opening polymerization combined with simultaneous polycondensation (ROPPOC) in bulk at 160 ° with dibutyltin bis(4-cyanophenoxide) as catalyst. It is demonstrated by MALDI TOF mass spectrometry and 1H NMR end group analyses that cycles are formed by endto-end cyclization in addition to “back-biting” transesterification. Formation of high molar mass cyclic poly L-lactide)s by means of several more reactive ROPPOC catalysts presented previously and in new experiments is discussed. These experimental results, together with theoretical arguments, prove that part of the Jacobson–Stockmayer theory is wrong. The critical monomer concentration, above which end-toend cyclization is seemingly impossible, does not exist and reversible like irreversible polycondensations can theoretically proceed up to 100% conversion, so that finally all reaction products will necessarily adopt a cyclic architecture.</abstract>
    <parentTitle language="eng">RSC Polymer Chemistry</parentTitle>
    <identifier type="doi">10.1039/d0py00226g</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-506419</identifier>
    <enrichment key="date_peer_review">23.04.2020</enrichment>
    <licence>Creative Commons - CC BY-NC - Namensnennung - Nicht kommerziell 4.0 International</licence>
    <author>H. R. Kricheldorf</author>
    <author>Steffen Weidner</author>
    <author>F. Scheliga</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/50641/Kricheldorf_RSC Polymer Chemistry 2020_11_2595 Jacobson_Stockmayer.pdf</file>
  </doc>
  <doc>
    <id>39288</id>
    <completedYear/>
    <publishedYear>2017</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>543</pageFirst>
    <pageLast>554</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>18</volume>
    <type>article</type>
    <publisherName>MDPI AG</publisherName>
    <publisherPlace>Basel, Switzerland</publisherPlace>
    <creatingCorporation>MDPI AG</creatingCorporation>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Simplifying the Preparation of Pollen Grains for MALDI-TOF MS Classification</title>
    <abstract language="eng">Matrix-assisted laser desorption ionization time of flight mass spectrometry (MALDI-TOF MS) is a well-implemented analytical technique for the investigation of complex biological samples. In MS, the sample preparation strategy is decisive for the success of the measurements. Here, sample preparation processes and target materials for the investigation of different pollen grains are compared. A reduced and optimized sample preparation process prior to MALDI-TOF measurement is presented using conductive carbon tape as target. The application of conductive tape yields in enhanced absolute signal intensities and mass spectral pattern information, which leads to a clear separation in subsequent pattern analysis. The results will be used to improve the taxonomic differentiation and identification, and might be useful for the development of a simple routine method to identify pollen based on mass spectrometry.</abstract>
    <parentTitle language="eng">International Journal of Molecular Sciences</parentTitle>
    <identifier type="doi">10.3390/ijms18030543</identifier>
    <identifier type="url">http://www.mdpi.com/1422-0067/18/3/543/</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-392885</identifier>
    <identifier type="issn">1422-0067</identifier>
    <enrichment key="date_peer_review">07.04.2017</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>Franziska Lauer</author>
    <author>Stephan Seifert</author>
    <author>Janina Kneipp</author>
    <author>Steffen Weidner</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PCA</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Conductive carbon tape</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pollen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sample pretreatment</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/39288/ijms-18-00543.pdf</file>
  </doc>
  <doc>
    <id>50645</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2000012</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>9</issue>
    <volume>221</volume>
    <type>article</type>
    <publisherName>Wiley-VCH Verlag</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Ring–Ring Equilibration in Solid, Even-Numbered Cyclic Poly(l-lactide)s and their Stereocomplexes</title>
    <abstract language="eng">Even-numbered cyclic poly(d-lactide) and poly(l-lactide) are prepared by ringexpansion polymerization. The cyclic pol(l-lactide) is annealed either at 120 or at 160 °C for several days. The progress of transesterification in the solid state is monitored by the formation of odd-numbered cycles via matrix-assisted laser desorption/ionization-time of flight mass spectrometry. The changes of the crystallinity are monitored by differential scanning calorimetry, wideand small-angle x-ray scattering (WAXS and SAXS) measurements. Despite total even-odd equilibration at 160 °C, the crystallinity of poly(l-lactide) is not reduced. Furthermore, the crystallinity of the stereocomplexes of both cyclic polylactides do not decrease or vanish, as expected, when a blocky or random stereosequence is formed by transesterification. This conclusion is confirmed by 13C NMR spectroscopy. These measurements demonstrate that transesterification is a ring–ring equilibration involving the loops on the surfaces of the lamellar crystallites thereby improving crystallinity and 3D packing of crystallites without significant broadening of the molecular weight distribution.</abstract>
    <parentTitle language="eng">Macromolecular Chemistry and Physics</parentTitle>
    <identifier type="doi">10.1002/macp.202000012</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-506458</identifier>
    <enrichment key="date_peer_review">25.05.2020</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>Steffen Weidner</author>
    <author>A. Meyer</author>
    <author>H. R. Kricheldorf</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polylactide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cyclization</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/50645/Weidner_MACP_2000012_2020_Ring-Ring Equilibration.pdf</file>
  </doc>
  <doc>
    <id>35930</id>
    <completedYear/>
    <publishedYear>2016</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>3067</pageFirst>
    <pageLast>3070</pageLast>
    <pageNumber/>
    <edition/>
    <issue>18</issue>
    <volume>7</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Synthesis of polysarcosine from air and moisture stable N-phenoxycarbonyl-N-methylglycine assisted by tertiary amine base</title>
    <abstract language="eng">Polysarcosine (M-n = 3650-20 000 g mol(-1), D similar to 1.1) was synthesized from the air and moisture stable N-phenoxycarbonyl-N-methylglycine. Polymerization was achieved by in situ transformation of the urethane precursor into the corresponding N-methylglycine-N-carboxyanhydride, when in the presence of a non-nucleophilic tertiary amine base and a primary amine initiator.</abstract>
    <parentTitle language="eng">Polymer Chemistry</parentTitle>
    <identifier type="doi">10.1039/c6py00221h</identifier>
    <identifier type="issn">1759-9954</identifier>
    <identifier type="issn">1759-9962</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-359309</identifier>
    <enrichment key="date_peer_review">30.05.2016</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>A. Doriti</author>
    <author>S. Brosnan</author>
    <author>Steffen Weidner</author>
    <author>H. Schlaad</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polysarcosine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MALDI-TOF MS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synthesis</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/35930/Synthesis of polysarcosine from air and moisture stable N-phenoxycarbonyl-N-methylglycine assisted by tertiary amine base.pdf</file>
  </doc>
  <doc>
    <id>54682</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>7</pageLast>
    <pageNumber/>
    <edition/>
    <issue>27</issue>
    <volume>28</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Formation Mechanism of a Nano-Ring of Bismuth Cations and Mono-Lacunary Keggin-Type Phosphomolybdate</title>
    <abstract language="eng">A new hetero-bimetallic polyoxometalate (POM) nano-ring was synthesized in a one-pot procedure. The structure consists of tetrameric units containing four bismuth-substituted monolacunary Keggin anions including distorted [BiO8] cubes. The nano-ring is formed via self-assembly from metal precursors in aqueous acidic medium. The compound (NH4)16[(BiPMo11O39)4] ⋅ 22 H2O; (P4Bi4Mo44) was characterized by single-crystal X-ray diffraction, extended X-ray absorption fine structure spectroscopy (EXAFS), Raman spectroscopy, matrix-assisted laser desorption/ionisation-time of flight mass spectrometry (MALDI-TOF), and thermogravimetry/differential scanning calorimetry mass spectrometry (TG-DSC-MS). The formation of the nano-ring in solution was studied by time-resolved in situ small- and wide-angle X-ray scattering (SAXS/WAXS) and in situ EXAFS measurements at the Mo−K and the Bi−L3 edge indicating a two-step process consisting of condensation of Mo-anions and formation of Bi−Mo-units followed by a rapid self-assembly to yield the final tetrameric ring structure.</abstract>
    <parentTitle language="eng">Chemistry - A European Journal</parentTitle>
    <identifier type="doi">10.1002/chem.202200079</identifier>
    <identifier type="issn">0947-6539</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-546823</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">25.04.022</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Ines Martins</author>
    <author>Dominik Al-Sabbagh</author>
    <author>U. Bentrup</author>
    <author>Julien Marquardt</author>
    <author>Thomas Schmid</author>
    <author>E. Scoppola</author>
    <author>Werner Kraus</author>
    <author>Tomasz Stawski</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Kirill Yusenko</author>
    <author>Steffen Weidner</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bismuth</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ EXAFS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ SAXS/WAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lacunary Keggin ion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polyoxometalates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Self-assembly</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.3 Instrumentelle Analytik</collection>
    <collection role="institutes" number="">1.4 Non-Target-Analytik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <collection role="institutes" number="">6.0 Abteilungsleitung und andere</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/54682/Chemistry A European J - 2022.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/54682/Chemistry A European.pdf</file>
  </doc>
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