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    <title language="eng">On the physical processes of mechanochemically induced transformations in molecular solids</title>
    <abstract language="eng">Initiating or sustaining physical and chemical transformations with mechanical force – mechanochemistry – provides an opportunity for more sustainable chemical processes, and access to new chemical reactivity.</abstract>
    <parentTitle language="eng">Chemical Communications</parentTitle>
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    <title language="eng">Under pressure: offering fundamental insight into structural changes on ball milling battery materials</title>
    <abstract language="eng">Synthesis of Li ion battery materials via ball milling has been a huge area of growth, leading to new high-capacity electrode materials, such as a number of promising disordered rocksalt (DRS) phases. In prior work, it was generally assumed that the synthesis was facilitated simply by local heating effects during the milling process. In this work, we show that ball milling Li2MoO4 leads to a phase transformation to the high pressure spinel polymorph and we report electrochemical data for this phase. This observation of the formation of a high pressure polymorph shows that local heating effects alone cannot explain the phase transformation observed (phenakite to spinel) and so indicates the importance of other effects. In particular, we propose that when the milling balls collide with the material, the resulting shockwaves exert a localised pressure effect, in addition to local heating. To provide further support for this, we additionally report ball milling results for a number of case studies (Li2MnO3, Li2SnO3, Nb2O5) which reinforces the conclusion that local heating alone cannot explain the phase transformations observed. The work presented thus provides greater fundamental understanding of milling as a synthetic pathway and suggests potential strategies to prepare such samples without milling (e.g., doping to create internal chemical pressure). In addition, we suggest that further research is needed into the effect of the use of milling as a route to smaller particles, since we believe that such milling may also be affecting the surface structure of the particles through the influence of the shockwaves generated.</abstract>
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    <title language="eng">The Origin of Delayed Polymorphism in Molecular Crystals Under Mechanochemical Conditions</title>
    <abstract language="eng">We show that mechanochemically driven polymorphic transformations can require extremely long induction periods, which can be tuned from hours to days by changing ball milling energy. The robust design and interpretation of ball milling experiments must account for this unexpected kinetics that arises from energetic phenomena unique to the solid state. Detailed thermal analysis, combined with DFT simulations, indicates that these marked induction periods are associated with processes of mechanical activation. Correspondingly, we show that the pre‐activation of reagents can also lead to marked changes in the length of induction periods. Our findings demonstrate a new dimension for exerting control over polymorphic transformations in organic crystals. We expect mechanical activation to have a much broader implication across organic solid‐state mechanochemistry.</abstract>
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    <title language="eng">Lighting up industrial mechanochemistry: Real-time in situ monitoring of reactive extrusion using energy-dispersive X-ray diffraction</title>
    <abstract language="eng">Mechanochemistry is an environmentally friendly synthetic approach that enables the sustainable production of a wide range of chemicals while reducing or eliminating the need for solvents. Reactive extrusion aims to move mechanochemistry from its conventional gram-scale batch reactions, typically performed in laboratory ball mills, to a continuous, large-scale process. Meeting this challenge requires in situ monitoring techniques to gain insights into reactive extrusion and its underlying processes. While the effectiveness of in situ Raman spectroscopy in providing molecular-level information has been demonstrated, our study uses energy-dispersive X-ray diffraction to monitor reactive extrusion in real time at the crystalline level. Our results provide previously unavailable control over the reactive extrusion process, promoting its perception as an industrially feasible green alternative to traditional solvent-based syntheses.</abstract>
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Engl."},{"key":"10.1016\/j.chempr.2024.07.033_bib25","article-title":"Continuous Direct Mechanocatalytic Suzuki-Miyaura Coupling via Twin-Screw Extrusion","volume":"30","author":"Chantrain","year":"2024","journal-title":"Chemistry"},{"key":"10.1016\/j.chempr.2024.07.033_bib26","doi-asserted-by":"crossref","first-page":"8501","DOI":"10.1039\/D1GC02174E","article-title":"Milligram-scale, temperature-controlled ball milling to provide an informed basis for scale-up to reactive extrusion","volume":"23","author":"Andersen","year":"2021","journal-title":"Green Chem."},{"key":"10.1016\/j.chempr.2024.07.033_bib27","doi-asserted-by":"crossref","first-page":"4443","DOI":"10.1039\/C8GC02036A","article-title":"Translating solid state organic synthesis from a mixer mill to a continuous twin screw extruder","volume":"20","author":"Cao","year":"2018","journal-title":"Green Chem."},{"key":"10.1016\/j.chempr.2024.07.033_bib28","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1021\/acssuschemeng.7b02202","article-title":"Use of Batch Mixing To Investigate the Continuous Solvent-Free Mechanical Synthesis of OLED Materials by Twin-Screw Extrusion (TSE)","volume":"6","author":"Crawford","year":"2018","journal-title":"ACS Sustainable Chem. Eng."},{"key":"10.1016\/j.chempr.2024.07.033_bib29","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1016\/j.trechm.2021.02.008","article-title":"Upscaling Mechanochemistry: Challenges and Opportunities for Sustainable Industry","volume":"3","author":"Colacino","year":"2021","journal-title":"Trends in Chemistry"},{"key":"10.1016\/j.chempr.2024.07.033_bib30","doi-asserted-by":"crossref","DOI":"10.1002\/anie.202300819","article-title":"Tinkering with Mechanochemical Tools for Scale Up","volume":"62","author":"Reynes","year":"2023","journal-title":"Angew. Chem. Int. Ed. Engl."},{"key":"10.1016\/j.chempr.2024.07.033_bib31","doi-asserted-by":"crossref","first-page":"5175","DOI":"10.1021\/acssuschemeng.2c07509","article-title":"Optimizing the Green Synthesis of ZIF-8 by Reactive Extrusion Using Raman Spectroscopy","volume":"11","author":"Gugin","year":"2023","journal-title":"ACS Sustainable. Chem. Eng."},{"key":"10.1016\/j.chempr.2024.07.033_bib32","doi-asserted-by":"crossref","first-page":"8940","DOI":"10.1039\/D2RA00740A","article-title":"Mix and wait - a relaxed way for synthesizing ZIF-8","volume":"12","author":"Gugin","year":"2022","journal-title":"RSC Adv."},{"key":"10.1016\/j.chempr.2024.07.033_bib33","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1038\/nchem.1505","article-title":"Real-time and in\u00a0situ monitoring of mechanochemical milling reactions","volume":"5","author":"Fri\u0161\u010di\u0107","year":"2013","journal-title":"Nat. Chem."},{"key":"10.1016\/j.chempr.2024.07.033_bib34","doi-asserted-by":"crossref","first-page":"6134","DOI":"10.1038\/s41467-021-26264-1","article-title":"Changing the game of time resolved X-ray diffraction on the mechanochemistry playground by downsizing","volume":"12","author":"Lampronti","year":"2021","journal-title":"Nat. Commun."},{"key":"10.1016\/j.chempr.2024.07.033_bib35","doi-asserted-by":"crossref","first-page":"551","DOI":"10.1007\/s40192-019-00155-2","article-title":"Recent Tomographic Imaging Developments at the PSICHE Beamline","volume":"8","author":"King","year":"2019","journal-title":"Integr. Mater. Manuf. Innov."},{"key":"10.1016\/j.chempr.2024.07.033_bib36","doi-asserted-by":"crossref","DOI":"10.1063\/1.4961365","article-title":"Tomography and imaging at the PSICHE beam line of the SOLEIL synchrotron","volume":"87","author":"King","year":"2016","journal-title":"Rev. Sci. Instrum."},{"key":"10.1016\/j.chempr.2024.07.033_bib37","doi-asserted-by":"crossref","first-page":"13176","DOI":"10.1021\/acs.analchem.7b02871","article-title":"Innovative in Situ Ball Mill for X-ray Diffraction","volume":"89","author":"Ban","year":"2017","journal-title":"Anal. Chem."},{"key":"10.1016\/j.chempr.2024.07.033_bib38","doi-asserted-by":"crossref","first-page":"4293","DOI":"10.1021\/acs.cgd.8b01929","article-title":"A Comparative Study of the Ionic Cocrystals NaX (\u03b1-d-Glucose) 2 (X= Cl, Br, I)","volume":"19","author":"Linberg","year":"2019","journal-title":"Cryst. Growth Des."},{"key":"10.1016\/j.chempr.2024.07.033_bib39","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1021\/acs.cgd.5b01776","article-title":"Polymorphism of Mechanochemically Synthesized Cocrystals: A Case Study","volume":"16","author":"Fischer","year":"2016","journal-title":"Cryst. Growth Des."},{"key":"10.1016\/j.chempr.2024.07.033_bib40","doi-asserted-by":"crossref","first-page":"2141","DOI":"10.1039\/C9SC05514B","article-title":"Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks","volume":"11","author":"Brekalo","year":"2020","journal-title":"Chem. Sci."},{"key":"10.1016\/j.chempr.2024.07.033_bib41","doi-asserted-by":"crossref","first-page":"2537","DOI":"10.1016\/j.apsb.2021.03.030","article-title":"Pharmaceutical cocrystals: a review of preparations, physicochemical properties and applications","volume":"11","author":"Guo","year":"2021","journal-title":"Acta Pharm. Sin. B"},{"key":"10.1016\/j.chempr.2024.07.033_bib42","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1107\/S2053229616002643","article-title":"The challenging case of the theophylline\u2013benzamide cocrystal","volume":"72","author":"Fischer","year":"2016","journal-title":"Acta Crystallogr. C Struct. Chem."},{"key":"10.1016\/j.chempr.2024.07.033_bib43","doi-asserted-by":"crossref","first-page":"C438","DOI":"10.1107\/S0108767321092485","article-title":"Controlling polymorphism of pharmaceutical cocrystals via polymer assisted cocrystallization in continuous processes","volume":"77","author":"Go\u0142kowska","year":"2021","journal-title":"Acta Crystallogr. A Found. Adv."},{"key":"10.1016\/j.chempr.2024.07.033_bib44","doi-asserted-by":"crossref","first-page":"1799","DOI":"10.1002\/anie.201409834","article-title":"Direct in\u00a0situ investigation of milling reactions using combined X-ray diffraction and Raman spectroscopy","volume":"54","author":"Batzdorf","year":"2015","journal-title":"Angew. Chem. Int. Ed. Engl."}],"container-title":["Chem"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2451929424003760?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S2451929424003760?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2024,8,28]],"date-time":"2024-08-28T14:34:28Z","timestamp":1724855668000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S2451929424003760"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,8]]},"references-count":44,"alternative-id":["S2451929424003760"],"URL":"http:\/\/dx.doi.org\/10.1016\/j.chempr.2024.07.033","relation":{},"ISSN":["2451-9294"],"issn-type":[{"value":"2451-9294","type":"print"}],"subject":[],"published":{"date-parts":[[2024,8]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Lighting up industrial mechanochemistry: Real-time in situ monitoring of reactive extrusion using energy-dispersive X-ray diffraction","name":"articletitle","label":"Article Title"},{"value":"Chem","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.chempr.2024.07.033","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2024 The Author(s). Published by Elsevier Inc.","name":"copyright","label":"Copyright"}]}}</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="PaperofMonth">1</enrichment>
    <enrichment key="date_peer_review">02.12.2024</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>Nikita Gugin</author>
    <author>Kirill Yusenko</author>
    <author>Andrew King</author>
    <author>Klas Meyer</author>
    <author>Dominik Al-Sabbagh</author>
    <author>José Antonio Villajos Collado</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reactive extrusion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Green chemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ studies</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved in situ</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TRIS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron radiation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Scalable synthesis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solid-state reactions</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reaction mechanisms</value>
    </subject>
    <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="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="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/61396/Lighting Up Industrial Mechanochemistry.pdf</file>
  </doc>
  <doc>
    <id>62993</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2667</pageFirst>
    <pageLast>2686</pageLast>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>12</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">A quality-by-design inspired approach to develop PET and PP nanoplastic test materials for use in in vitro and in vivo biological assays</title>
    <abstract language="eng">Micro- and nanoplastics have become environmental pollutants of concern, receiving increased attention from consumers, scientists, and policymakers. The lack of knowledge about possible impacts on wildlife and human health requires further research, for which well-characterized testmaterials are needed. A quality-bydesign (QbD) driven approachwas used to produce sterile, endotoxinmonitored nanoplastics of polyethylene terephthalate (PET) and polypropylene (PP) with a size fraction of &gt;90% below 1 μm and high yield of &gt;90%. Glycerol was used as a versatile and biocompatible liquid storage medium which requires no further exogenous dispersing agent andmaintained colloidal stability, sterility (0 CFU mL−1), and low endotoxin levels (&lt;0.1 EU mL−1) for more than one year of storage at room temperature. Further, the glycerol vehicle showed no biological effect on the tested human bronchial cell line Calu-3 up to 0.8% (w/v). Given the concentration of 40 mg g−1 nanoplastics in the glycerol stock, this corresponds to a nanoplastic concentration of 320 μg mL−1. The surfactant-free nanoplastics are dispersible in bio-relevant media from the glycerol stock without changing size characteristics and are suitable for in vitro and in vivo research.</abstract>
    <parentTitle language="eng">Environmental Science Nano</parentTitle>
    <identifier type="doi">10.1039/D4EN01186D</identifier>
    <identifier type="issn">2051-8161</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-629934</identifier>
    <enrichment key="opus_doi_flag">false</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">26.05.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>L Wimmer</author>
    <author>M V N Hoang</author>
    <author>J Schwarzinger</author>
    <author>V Jovanovic</author>
    <author>B Adelkovic</author>
    <author>T C Velickovic</author>
    <author>T C Meisel</author>
    <author>T Waniek</author>
    <author>Christiane Weimann</author>
    <author>Korinna Altmann</author>
    <author>L A Dailey</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microplastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reference materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoplastics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Polymer 3R</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Glycerol</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.1 Oberflächen- und Dünnschichtanalyse</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</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="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/62993/d4en01186d.pdf</file>
  </doc>
  <doc>
    <id>63030</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>10</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley VHC-Verlag</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Green Fabrication of Sulfonium-Containing Bismuth Materials for High-Sensitivity X-Ray Detection</title>
    <abstract language="eng">Organic–inorganic hybrid materials based on lead and bismuth have recently been proposed as novel X- and gamma-ray detectors for medical imaging, non-destructive testing, and security, due to their high atomic numbers and facile preparation compared to traditional materials like amorphous selenium and Cd(Zn)Te. However, challenges related to device operation, excessively high dark currents, and long-term stability have delayed commercialization. Here, two novel semiconductors incorporating stable sulfonium cations are presented, [(CH3CH2)3S]6Bi8I30 and [(CH3CH2)3S]AgBiI5, synthesized via solvent-free ball milling and fabricated into dense polycrystalline pellets using cold isostatic compression, two techniques that can easily be upscaled, for X-ray detection application. The fabricated detectors exhibit exceptional sensitivities (14 100–15 190 µC Gyair−1 cm−2) and low detection limits (90 nGyair s−1 for [(CH3CH2)3S]6Bi8I30 and 78 nGyair s−1 for [(CH3CH2)3S]AgBiI5), far surpassing current commercial detectors. Notably, they maintain performance after 9 months of ambient storage. The findings highlight [(CH3CH2)3S]6Bi8I30 and [(CH3CH2)3S]AgBiI5 as scalable, cost-effective and highly stable alternatives to traditional semiconductor materials, offering great potential as X-ray detectors in medical and security applications.</abstract>
    <parentTitle language="eng">Advanced Materials</parentTitle>
    <identifier type="doi">10.1002/adma.202418626</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-630306</identifier>
    <enrichment key="opus_doi_flag">false</enrichment>
    <enrichment key="opus_import_data">&lt;div class="errorPage"&gt;    &lt;h2&gt;Anwendungsfehler&lt;/h2&gt;        &lt;div class="exceptionMessage"&gt;        Unable to Connect to ssl://api.crossref.org:443. Error #110: Connection timed out    &lt;/div&gt;        &lt;/div&gt;</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">05.05.2025</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>A. Starkholm</author>
    <author>Dominik Al-Sabbagh</author>
    <author>S Sarisozen</author>
    <author>A von Reppert</author>
    <author>M Rössle</author>
    <author>Markus Ostermann</author>
    <author>E Unger</author>
    <author>Franziska Emmerling</author>
    <author>L Kloo</author>
    <author>P Svensson</author>
    <author>F Lang</author>
    <author>O. Maslyanchuk</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray detectors</value>
    </subject>
    <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="themenfelder" number="">Material</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/63030/Advanced Materials.pdf</file>
  </doc>
  <doc>
    <id>63079</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>2255</pageFirst>
    <pageLast>2265</pageLast>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>7</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">Engineering a multivariate cobalt metal–organic framework for high photocatalytic activity: the impact of mixed ligands and metal incorporation in a visible light-driven heterogeneous photo-Fenton reaction for water treatment</title>
    <abstract language="eng">Metal–organic frameworks (MOFs) have attracted increasing attention for the removal of organic pollutants in wastewater via photocatalysis. Here, we design a multivariate modification of ZIF-9 to tune its electronic properties for use in visible light photocatalysis. A controllable synthesis of ZIF-9 and its multivariate forms with the incorporation of copper and the 2-imidazolecarboxaldehyde (ica) ligand was carried out. The materials are tested for the removal of the model dye methylene blue (MB) by a heterogeneous photo-Fenton-like reaction at neutral pH and room temperature. Cu-ZIF-9-ica (UPO-3) shows high photocatalytic activity under both visible and ultraviolet A (UVA) light, achieving 94% MB degradation in 45 min, compared to 65% MB degradation in 120 min using bare ZIF-9. The study revealed a first-order rate constant of 0.0475 min−1 for Cu-ZIF-9-ica compared to 0.0088 min−1 for ZIF-9 under visible light. The improvement of the catalyst was clearly attributed to the co-incorporation of Cu and the ica ligand in the MOF, which reduces the band gap, in agreement with DFT calculations. Reproducibility and recyclability tests proved that Cu-ZIF-9-ica can be used for at least 3 cycles without a significant loss of efficiency, making it a promising material for the study and application of wastewater treatment.</abstract>
    <parentTitle language="eng">Nanoscale Advances</parentTitle>
    <identifier type="issn">2516-0230</identifier>
    <identifier type="doi">10.1039/d4na00954a</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-630797</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">14.05.2025</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Noelia Rodríguez-Sánchez</author>
    <author>Biswajit Bhattacharya</author>
    <author>Franziska Emmerling</author>
    <author>Carsten Prinz</author>
    <author>P. Prieto-Laria</author>
    <author>A.R. Ruiz-Salvador</author>
    <author>M. Ballesteros</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal-Organic Framework (MOF)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Heterogeneous photo-Fenton</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ZIF-9</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Methylene Blue</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
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    <title language="eng">Sensitivity of magnetic resonance elastography to extracellular matrix and cell motility in human prostate cancer cell line-derived xenograft models</title>
    <abstract language="eng">Prostate cancer (PCa) is a significant health problem in the male population of the Western world. Magnetic resonance elastography (MRE), an emerging medical imaging technique sensitive to mechanical properties of biological tissues, detects PCa based on abnormally high stiffness and viscosity values. Yet, the origin of these changes in tissue properties and how they correlate with histopathological markers and tumor aggressiveness are largely unknown, hindering the use of tumor biomechanical properties for establishing a noninvasive PCa staging system.&#13;
&#13;
To infer the contributions of extracellular matrix (ECM) components and cell motility, we investigated fresh tissue specimens from two PCa xenograft mouse models, PC3 and LNCaP, using magnetic resonance elastography (MRE), diffusion-weighted imaging (DWI), quantitative histology, and nuclear shape analysis. Increased tumor stiffness and impaired water diffusion were observed to be associated with collagen and elastin accumulation and decreased cell motility. Overall, LNCaP, while more representative of clinical PCa than PC3, accumulated fewer ECM components, induced less restriction of water diffusion, and exhibited increased cell motility, resulting in overall softer and less viscous properties. Taken together, our results suggest that prostate tumor stiffness increases with ECM accumulation and cell adhesion - characteristics that influence critical biological processes of cancer development.&#13;
&#13;
MRE paired with DWI provides a powerful set of imaging markers that can potentially predict prostate tumor development from benign masses to aggressive malignancies in patients. Statement of significance: Xenograft models of human prostate tumor cell lines, allowing correlation of microstructure-sensitive biophysical imaging parameters with quantitative histological methods, can be investigated to identify hallmarks of cancer.</abstract>
    <parentTitle language="eng">Biomaterials advances</parentTitle>
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    <identifier type="issn">2772-9508</identifier>
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    <author>A. Kader</author>
    <author>J. Snellings</author>
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    <author>Jan Ole Kaufmann</author>
    <author>J. Moeckel</author>
    <author>J. Brangsch</author>
    <author>T. A. Auer</author>
    <author>F. Collettini</author>
    <author>F. Sauer</author>
    <author>B. Hamm</author>
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    <author>I. Sack</author>
    <author>M. R. Makowski</author>
    <author>J. Braun</author>
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      <value>Stiffness</value>
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      <value>Collagen</value>
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      <language>eng</language>
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      <value>Elastin</value>
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      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nuclear shape</value>
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    <title language="eng">Elastin-specific MR probe for visualization and evaluation of an interleukin-1β targeted therapy for atherosclerosis</title>
    <abstract language="eng">Atherosclerosis is a chronic inflammatory condition of the arteries and represents the primary cause of various cardiovascular diseases. Despite ongoing progress, finding effective anti-inflammatory therapeutic strategies for atherosclerosis remains a challenge. Here, we assessed the potential of molecular magnetic resonance imaging (MRI) to visualize the effects of 01BSUR, an anti-interleukin-1β monoclonal antibody, for treating atherosclerosis in a murine model. Male apolipoprotein E-deficient mice were divided into a therapy group (01BSUR, 2 × 0.3 mg/kg subcutaneously, n = 10) and control group (no treatment, n = 10) and received a high-fat diet for eight weeks. The plaque burden was assessed using an elastin-targeted gadolinium-based contrast probe (0.2 mmol/kg intravenously) on a 3 T MRI scanner. T1-weighted imaging showed a significantly lower contrast-to-noise (CNR) ratio in the 01BSUR group (pre: 3.93042664; post: 8.4007067) compared to the control group (pre: 3.70679168; post: 13.2982156) following administration of the elastin-specific MRI probe (p &amp;lt; 0.05). Histological examinations demonstrated a significant reduction in plaque size (p &amp;lt; 0.05) and a significant decrease in plaque elastin content (p &amp;lt; 0.05) in the treatment group compared to control animals. This study demonstrated that 01BSUR hinders the progression of atherosclerosis in a mouse model. Using an elastin-targeted MRI probe, we could quantify these therapeutic effects in MRI.</abstract>
    <abstract language="deu">Atherosklerose ist eine chronische entzündliche Erkrankung der Arterien und die Hauptursache für verschiedene Herz-Kreislauf-Erkrankungen. Trotz kontinuierlicher Fortschritte ist es nach wie vor schwierig, wirksame entzündungshemmende Therapiestrategien für Atherosklerose zu finden. In dieser Studie haben wir das Potenzial der molekularen Magnetresonanztomographie (MRT) zur Visualisierung der Wirkung von 01BSUR, einem monoklonalen Anti-Interleukin-1β-Antikörper, zur Behandlung von Atherosklerose in einem Mausmodell untersucht. Männliche Apolipoprotein-E-defiziente Mäuse wurden in eine Therapiegruppe (01BSUR, 2 × 0,3 mg/kg subkutan, n = 10) und eine Kontrollgruppe (keine Behandlung, n = 10) aufgeteilt und erhielten acht Wochen lang eine fettreiche Diät. Die Plaquebelastung wurde mit einer auf Elastin ausgerichteten Kontrastmittelsonde auf Gadoliniumbasis (0,2 mmol/kg intravenös) auf einem 3-T-MRT-Scanner untersucht. Die T1-gewichtete Bildgebung zeigte ein signifikant niedrigeres Kontrast-Rausch-Verhältnis (CNR) in der 01BSUR-Gruppe (vorher: 3,93042664; nachher: 8,4007067) im Vergleich zur Kontrollgruppe (vorher: 3,70679168; nachher: 13,2982156) nach Verabreichung der Elastin-spezifischen MRT-Sonde (p &lt; 0,05). Histologische Untersuchungen zeigten eine signifikante Verringerung der Plaque-Größe (p &lt; 0,05) und eine signifikante Abnahme des Plaque-Elastin-Gehalts (p &lt; 0,05) in der Behandlungsgruppe im Vergleich zu den Kontrolltieren. Diese Studie zeigte, dass 01BSUR das Fortschreiten der Atherosklerose in einem Mausmodell hemmt. Mit einer auf Elastin ausgerichteten MRT-Sonde konnten wir diese therapeutischen Effekte in der MRT quantifizieren.</abstract>
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    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">23.09.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Dilyana Branimirova Mangarova</author>
    <author>Carolin Reimann</author>
    <author>Jan Ole Kaufmann</author>
    <author>Jana Möckel</author>
    <author>Avan Kader</author>
    <author>Lisa Christine Adams</author>
    <author>Antje Ludwig</author>
    <author>David Onthank</author>
    <author>Simon Robinson</author>
    <author>Uwe Karst</author>
    <author>Rebecca Helmer</author>
    <author>Rene Botnar</author>
    <author>Bernd Hamm</author>
    <author>Marcus Richard Makowski</author>
    <author>Julia Brangsch</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Atherosclerosis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Molecular imaging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elastin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Plaque</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Interleukin-1beta</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>
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  <doc>
    <id>61464</id>
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    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>16</pageLast>
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    <edition/>
    <issue>19</issue>
    <volume>24</volume>
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    <title language="eng">Drone-Based Localization of Hazardous Chemicals by Passive Smart Dust</title>
    <abstract language="eng">The distribution of tiny sensors over a specific area was first proposed in the late 1990s as a concept known as smart dust. Several efforts focused primarily on computing and networking capabilities, but quickly ran into problems related to power supply, cost, data transmission, and environmental pollution. To overcome these limitations, we propose using paper-based (confetti-like) chemosensors that exploit the inherent selectivity of chemical reagents, such as colorimetric indicators. In this work, cheap and biodegradable passive sensors made from cellulose could successfully indicate the presence of hazardous chemicals, e.g., strong acids, by a significant color change. A conventional color digital camera attached to a drone could easily detect this from a safe distance. The collected data were processed to define the hazardous area. Our work presents a combination of the smart dust concept, chemosensing, paper-based sensor technology, and low-cost drones for flexible, sensitive, economical, and rapid detection of hazardous chemicals in high-risk scenarios.</abstract>
    <parentTitle language="eng">Sensors</parentTitle>
    <identifier type="doi">10.3390/s24196195</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-614641</identifier>
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Our work presents a combination of the smart dust concept, chemosensing, paper-based sensor technology, and low-cost drones for flexible, sensitive, economical, and rapid detection of hazardous chemicals in high-risk scenarios.&lt;\/jats:p&gt;","DOI":"10.3390\/s24196195","type":"journal-article","created":{"date-parts":[[2024,9,25]],"date-time":"2024-09-25T21:12:04Z","timestamp":1727298724000},"page":"6195","source":"Crossref","is-referenced-by-count":0,"title":["Drone-Based Localization of Hazardous Chemicals by Passive Smart Dust"],"prefix":"10.3390","volume":"24","author":[{"ORCID":"http:\/\/orcid.org\/0009-0008-6831-001X","authenticated-orcid":false,"given":"Tino","family":"Nerger","sequence":"first","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Stra\u00dfe 11, 12489 Berlin, Germany"},{"name":"Department of Chemistry, Humboldt Universit\u00e4t zu Berlin, Brook-Taylor-Strasse 2, 12489 Berlin, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0002-3835-3421","authenticated-orcid":false,"given":"Patrick P.","family":"Neumann","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Stra\u00dfe 11, 12489 Berlin, Germany"}]},{"ORCID":"http:\/\/orcid.org\/0000-0003-2767-2029","authenticated-orcid":false,"given":"Michael G.","family":"Weller","sequence":"additional","affiliation":[{"name":"Federal Institute for Materials Research and Testing (BAM), Richard-Willst\u00e4tter-Stra\u00dfe 11, 12489 Berlin, Germany"},{"name":"Department of Chemistry, Humboldt Universit\u00e4t zu Berlin, Brook-Taylor-Strasse 2, 12489 Berlin, Germany"}]}],"member":"1968","published-online":{"date-parts":[[2024,9,25]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"44","DOI":"10.1109\/2.895117","article-title":"Smart Dust: The Autonomous Sensing and Communication in a Cubic Millimeter","volume":"34","author":"Pister","year":"2001","journal-title":"Computer"},{"key":"ref_2","first-page":"910","article-title":"The Wireless Sensor Networks: Smart Dust","volume":"3","author":"Shaik","year":"2016","journal-title":"Int. Res. J. Eng. Technol."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"1375","DOI":"10.1039\/B417554A","article-title":"\u201cSmart Dust\u201d: Nanostructured Devices in a Grain of Sand","volume":"41","author":"Sailor","year":"2005","journal-title":"Chem. Commun."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1109\/MC.2004.93","article-title":"Overview of Sensor Networks","volume":"37","author":"Culler","year":"2004","journal-title":"Computer"},{"key":"ref_5","first-page":"121","article-title":"Energy and Performance Considerations for Smart Dust","volume":"4","author":"Doherty","year":"2001","journal-title":"Int. J. Parallel Distrib. Syst. Netw."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"1700051","DOI":"10.1002\/admt.201700051","article-title":"3D-Printed Disposable Wireless Sensors with Integrated Microelectronics for Large Area Environmental Monitoring","volume":"2","author":"Farooqui","year":"2017","journal-title":"Adv. Mater. 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(2018). Quantitative Remote Sensing at Ultra-High Resolution with UAV Spectroscopy: A Review of Sensor Technology, Measurement Procedures, and Data Correction Workflows. Remote Sens., 10.","DOI":"10.3390\/rs10071091"},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"8551","DOI":"10.1007\/s11042-023-15785-0","article-title":"Hybrid deep learning for object detection in drone imagery: A new metaheuristic based model","volume":"83","author":"Ajith","year":"2024","journal-title":"Multimed. Tools Appl."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"725","DOI":"10.1080\/01691864.2013.779052","article-title":"Gas source localization with a micro-drone using bio-inspired and particle filter-based algorithms","volume":"27","author":"Neumann","year":"2013","journal-title":"Adv. Robot."},{"key":"ref_13","doi-asserted-by":"crossref","unstructured":"Pakeerathan, K. (2023). Applications of Drones in Smart Agriculture. Smart Agriculture for Developing Nations, Springer. 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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Tino Nerger</author>
    <author>Patrick P. Neumann</author>
    <author>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cellulose</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Passive Smart Dust</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Drohne</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Kolorimetrische Sensoren</value>
    </subject>
    <collection role="ddc" number="604">Spezielle Themen</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.5 Proteinanalytik</collection>
    <collection role="institutes" number="">8 Zerstörungsfreie Prüfung</collection>
    <collection role="institutes" number="">8.1 Sensorik, mess- und prüftechnische Verfahren</collection>
    <collection role="themenfelder" number="">Umwelt</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>
    <collection role="themenfelder" number="">Gefährliche Stoffe</collection>
    <collection role="themenfelder" number="">Sensorik</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/61464/sensors-24-nerger-et-al.pdf</file>
  </doc>
  <doc>
    <id>57264</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>24</pageLast>
    <pageNumber/>
    <edition/>
    <issue>3</issue>
    <volume>15</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel, Schweiz</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
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    <title language="eng">Efficient Purification of Cowpea Chlorotic Mottle Virus by a Novel Peptide Aptamer</title>
    <abstract language="eng">The cowpea chlorotic mottle virus (CCMV) is a plant virus explored as a nanotechnological platform. The robust self-assembly mechanism of its capsid protein allows for drug encapsulation and targeted delivery. Additionally, the capsid nanoparticle can be used as a programmable platform to display different molecular moieties. In view of future applications, efficient production and purification of plant viruses are key steps. In established protocols, the need for ultracentrifugation is a significant limitation due to cost, difficult scalability, and safety issues. In addition, the purity of the final virus isolate often remains unclear. Here, an advanced protocol for the purification of the CCMV from infected plant tissue was developed, focusing on efficiency, economy, and final purity. The protocol involves precipitation with PEG 8000, followed by affinity extraction using a novel peptide aptamer. The efficiency of the protocol was validated using size exclusion chromatography, MALDI-TOF mass spectrometry, reversed-phase HPLC, and sandwich immunoassay. Furthermore, it was demonstrated that the final eluate of the affinity column is of exceptional purity (98.4%) determined by HPLC and detection at 220 nm. The scale-up of our proposed method seems to be straightforward, which opens the way to the large-scale production of such nanomaterials. This highly improved protocol may facilitate the use and implementation of plant viruses as nanotechnological platforms for in vitro and in vivo applications.</abstract>
    <abstract language="deu">Das Cowpea Chlorotic Mottle Virus (CCMV) ist ein Pflanzenvirus, das als nanotechnologische Plattform erforscht wird. Der robuste Selbstorganisationsmechanismus seines Kapsidproteins ermöglicht die Verkapselung und gezielte Abgabe von Medikamenten. Darüber hinaus kann das Kapsid-Nanopartikel als programmierbare Plattform für die Präsentation verschiedener molekularer Komponenten verwendet werden. Im Hinblick auf künftige Anwendungen ist eine effiziente Produktion und Reinigung von Pflanzenviren von entscheidender Bedeutung. In etablierten Protokollen stellt die notwendige Ultrazentrifugation aufgrund von Kosten, schwieriger Skalierbarkeit und Sicherheitsaspekten eine erhebliche Einschränkung dar. Darüber hinaus bleibt die Reinheit des endgültigen Virusisolats oft unklar. Hier wurde ein fortschrittliches Protokoll für die Reinigung von CCMV aus infiziertem Pflanzengewebe entwickelt, wobei der Schwerpunkt auf Effizienz, Wirtschaftlichkeit und Reinheit lag. Das Protokoll beinhaltet eine Fällung mit Polyethylenglycol (PEG 8000), gefolgt von einer Affinitätsextraktion mit einem neuartigen Peptid-Aptamer. Die Effizienz des Protokolls wurde mithilfe von Größenausschluss-Chromatographie (SEC), MALDI-TOF-Massenspektrometrie, Umkehrphasen-HPLC und Sandwich-Immunoassay validiert. Darüber hinaus wurde nachgewiesen, dass das endgültige Eluat der Affinitätssäule eine außergewöhnliche Reinheit (98,4 %) aufweist, die durch HPLC und Detektion bei 220 nm bestimmt wurde. Die Skalierung der von uns vorgeschlagenen Methode scheint einfach zu sein, was den Weg für eine größer angelegte Produktion solcher Nanomaterialien ebnet. Dieses stark verbesserte Protokoll könnte die Verwendung und Umsetzung von Pflanzenviren als nanotechnologische Plattformen für In-vitro- und In-vivo-Anwendungen erleichtern.</abstract>
    <parentTitle language="eng">Viruses</parentTitle>
    <identifier type="doi">10.3390/v15030697</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-572645</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="date_peer_review">03.04.2023</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Georg Tscheuschner</author>
    <author>Marco Ponader</author>
    <author>Christopher Raab</author>
    <author>Prisca S. Weider</author>
    <author>Reni Hartfiel</author>
    <author>Jan Ole Kaufmann</author>
    <author>Jule L. Völzke</author>
    <author>Gaby Bosc-Bierne</author>
    <author>Carsten Prinz</author>
    <author>T. Schwaar</author>
    <author>Paul Andrle</author>
    <author>Henriette Bäßler</author>
    <author>Khoa Nguyen</author>
    <author>Y. Zhu</author>
    <author>A. S. J. S. Mey</author>
    <author>A. Mostafa</author>
    <author>I. Bald</author>
    <author>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Affinity chromatography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoscience</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Carrier protein</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Encapsulation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Combinatorial peptide library</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Peptide binder</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Vigna unguiculata</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Augenbohne</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Schlangenbohne</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Pflanzenvirus</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Plant virus</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Upscaling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Commercialization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reference material</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocarrier</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</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="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="themenfelder" number="">Material</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/57264/Tscheuschner-2023-Viruses.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/57264/Tscheuschner-2023-Viruses Supplement Text.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/57264/Tscheuschner-2023-Viruses Supplement.zip</file>
  </doc>
  <doc>
    <id>57036</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>24</volume>
    <type>article</type>
    <publisherName>Oxford University Press</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Comprehensive evaluation of peptide de novo sequencing tools for monoclonal antibody assembly</title>
    <abstract language="eng">Monoclonal antibodies are biotechnologically produced proteins with various applications in research, therapeutics and diagnostics. Their ability to recognize and bind to specific molecule structures makes them essential research tools and therapeutic agents. Sequence information of antibodies is helpful for understanding antibody–antigen interactions and ensuring their affinity and specificity. De novo protein sequencing based on mass spectrometry is a valuable method to obtain the amino acid sequence of peptides and proteins without a priori knowledge. In this study, we evaluated six recently developed de novo peptide sequencing algorithms (Novor, pNovo 3, DeepNovo, SMSNet, PointNovo and Casanovo), which were not specifically designed for antibody data. We validated their ability to identify and assemble antibody sequences on three multi-enzymatic data sets. The deep learning-based tools Casanovo and PointNovo showed an increased peptide recall across different enzymes and data sets compared with spectrum-graph-based approaches. We evaluated different error types of de novo peptide sequencing tools and their performance for different numbers of missing cleavage sites, noisy spectra and peptides of various lengths. We achieved a sequence coverage of 97.69–99.53% on the light chains of three different antibody data sets using the de Bruijn assembler ALPS and the predictions from Casanovo. However, low sequence coverage and accuracy on the heavy chains demonstrate that complete de novo protein sequencing remains a challenging issue in proteomics that requires improved de novo error correction, alternative digestion strategies and hybrid approaches such as homology search to achieve high accuracy on long protein sequences.</abstract>
    <parentTitle language="eng">Briefings in Bioinformatics</parentTitle>
    <identifier type="doi">10.1093/bib/bbac542</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-570363</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">23.02.2023</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>D. Beslic</author>
    <author>Georg Tscheuschner</author>
    <author>B. Y. Renard</author>
    <author>Michael G. Weller</author>
    <author>Thilo Muth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>De novo peptide sequencing</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bioinformatics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Benchmarking study</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Monoclonal antibody</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mass spectrometry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sequence coverage</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Light chains</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Heavy chains</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>IgG</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Immunoglobulins</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Error correction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sequencing algorithm</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Preprocessing</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Missing fragmentation sites</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Deep learning-based tools</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="">1.5 Proteinanalytik</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>
    <collection role="institutes" number="">VP Vizepräsident</collection>
    <collection role="institutes" number="">VP.1 eScience</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57036/Beslic-2023-BriefingsBioinformatics.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/57036/Beslic-2023-BriefingsBioinformatics Supplement.pdf</file>
  </doc>
  <doc>
    <id>59145</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>8</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>4</volume>
    <type>article</type>
    <publisherName>Frontiers Media</publisherName>
    <publisherPlace>Switzerland</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Oligomerization and tyrosine nitration enhance the allergenic potential of the birch and grass pollen allergens Bet v 1 and Phl p 5</title>
    <abstract language="eng">Protein modifications such as oligomerization and tyrosine nitration alter the immune response to allergens and may contribute to the increasing prevalence of allergic diseases. In this mini-review, we summarize and discuss relevant findings for the major birch and grass pollen allergens Bet v 1 and Phl p 5 modified with tetranitromethane (laboratory studies), peroxynitrite (physiological processes), and ozone and nitrogen dioxide  environmental conditions). We focus on tyrosine nitration and the formation of protein dimers and higher oligomers via dityrosine cross-linking and the immunological effects studied.</abstract>
    <abstract language="deu">Proteinmodifikationen wie Oligomerisierung und Tyrosinnitrierung verändern die Immunantwort auf Allergene und tragen möglicherweise zur zunehmenden Prävalenz allergischer Erkrankungen bei. In diesem Mini-Review fassen wir relevante Befunde zu den wichtigsten Birken- und Gräserpollenallergenen Bet v 1 und Phl p 5 zusammen, die mit Tetranitromethan (Laborstudien), Peroxynitrit (physiologische Prozesse) und Ozon und Stickstoffdioxid (Umweltbedingungen). Wir konzentrieren uns auf die Tyrosin-Nitrierung und die Bildung von Proteindimeren und höheren Oligomeren durch Dityrosin-Vernetzung und deren immunologischen Auswirkungen.</abstract>
    <parentTitle language="eng">Frontiers in Allergy</parentTitle>
    <identifier type="doi">10.3389/falgy.2023.1303943</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-591453</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">08.01.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>J. Fröhlich-Nowoisky</author>
    <author>N. Bothen</author>
    <author>A. T. Backes</author>
    <author>Michael G. Weller</author>
    <author>U. Pöschl</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Allergy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Protein oligomers</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Air pollution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ozone</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitrogen oxides</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tyrosine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitrotyrosine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dityrosine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dityrosine crosslinking</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Protein degradation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neoepitopes</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Neoallergen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>IgE</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Immunoglobulin E</value>
    </subject>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.5 Proteinanalytik</collection>
    <collection role="themenfelder" number="">Umwelt</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/59145/Froehlich-2023-FrontiersAllergy.pdf</file>
  </doc>
  <doc>
    <id>57029</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>7</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>4</volume>
    <type>article</type>
    <publisherName>Frontiers Media SA</publisherName>
    <publisherPlace>Lausanne, Switzerland</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Chemical modification by peroxynitrite enhances TLR4 activation of the grass pollen allergen Phl p 5</title>
    <abstract language="eng">The chemical modification of aeroallergens by reactive oxygen and nitrogen species (ROS/RNS) may contribute to the growing prevalence of respiratory allergies in industrialized countries. Post-translational modifications can alter the immunological properties of proteins, but the underlying mechanisms and effects are not well understood. In this study, we investigate the Toll-like receptor 4 (TLR4) activation of the major birch and grass pollen allergens Bet v 1 and Phl p 5, and how the physiological oxidant peroxynitrite (ONOO–) changes the TLR4 activation through protein nitration and the formation of protein dimers and higher oligomers. Of the two allergens, Bet v 1 exhibited no TLR4 activation, but we found TLR4 activation of Phl p 5, which increased after modification with ONOO– and may play a role in the sensitization against this grass pollen allergen. We attribute the TLR4 activation mainly to the two-domain structure of Phl p 5 which may promote TLR4 dimerization and activation. The enhanced TLR4 signaling of the modified allergen indicates that the ONOO–-induced modifications affect relevant protein-receptor interactions. This may lead to increased sensitization to the grass pollen allergen and thus contribute to the increasing prevalence of allergies in the Anthropocene, the present era of globally pervasive anthropogenic influence on the environment.</abstract>
    <parentTitle language="eng">Frontiers in Allergy</parentTitle>
    <identifier type="doi">10.3389/falgy.2023.1066392</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-570298</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">13.03.2023</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>K. Reinmuth-Selzle</author>
    <author>I. Bellinghausen</author>
    <author>A. L. Leifke</author>
    <author>A. T. Backes</author>
    <author>N. Bothen</author>
    <author>K. Ziegler</author>
    <author>Michael G. Weller</author>
    <author>J. Saloga</author>
    <author>D. Schuppan</author>
    <author>K. Lucas</author>
    <author>U. Pöschl</author>
    <author>J. Fröhlich-Nowoisky</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bet v 1</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Birch pollen allergen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phl p 5</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grass pollen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phleum pratense</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Betula pendula</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitrotyrosine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Protein nitration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Toll-like receptor 4</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Allergy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Enhancement</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oligomerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dimerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>TLR4 activation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Air pollution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitrogen oxides</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Inflammation</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="themenfelder" number="">Umwelt</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="">Sensorik</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57029/ReinmuthSelzle-2023-FrontiersAllergy.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/57029/Supplementary Material Frontiers in Allergy - ReinmuthSelzle 2023.pdf</file>
  </doc>
  <doc>
    <id>57094</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>6</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel, Schweiz</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
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    <title language="eng">Quantitative 1H nuclear magnetic resonance (qNMR) of aromatic amino acids for protein quantification</title>
    <abstract language="eng">Hydrolysis of protein samples into amino acids facilitates the use of NMR spectroscopy for protein and peptide quantification. Different conditions have been tested for quantifying aromatic amino acids and proteins. The pH-dependent signal shifts in the aromatic region of amino acid samples were examined. A pH of 12 was found to minimize signal overlap of the four aromatic amino acids. Several aromatic compounds, such as terephthalic acid, sulfoisophthalic acid, and benzene tricarboxylic acid, were applied as internal standards. The quantification of amino acids from an amino acid standard was performed. Using the first two suggested internal standards, recovery was ~97% for histidine, phenylalanine, and tyrosine at a concentration of approximately 1 mM in solution. Acidic hydrolysis of a certified reference material (CRM) of bovine serum albumin (BSA) and subsequent quantification of Phe and Tyr yielded recoveries of 98% ± 2% and 88% ± 4%, respectively, at a protein concentration of 16 g/L or 250 µM.</abstract>
    <parentTitle language="eng">Methods and protocols</parentTitle>
    <identifier type="doi">10.3390/mps6010011</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-570943</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">09.03.2023</enrichment>
    <enrichment key="RelatedIdentifier">https://nbn-resolving.org/urn:nbn:de:kobv:b43-564520</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Teodor Tchipilov</author>
    <author>Klas Meyer</author>
    <author>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Amino acid analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aromatic amino acid analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>AAA</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>AAAA</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Protein hydrolysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hydrochloric acid</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metrology</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Traceability</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>NIST</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reference materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Internal standard</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Calibration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Compound-independent calibration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Histidine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tyrosine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tryptophan</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phenylalanine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Terephthalic acid</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Benzene-1,3,5-tricarboxylic acid</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bovine serum albumin (BSA)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quantitative protein analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phenylketonuria</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.4 Non-Target-Analytik</collection>
    <collection role="institutes" number="">1.5 Proteinanalytik</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/57094/Tchipilov-2023-MethodsProtocols.pdf</file>
  </doc>
  <doc>
    <id>63799</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>15</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>16</volume>
    <type>article</type>
    <publisherName>Springer Science and Business Media LLC</publisherName>
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    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
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    <title language="eng">A partially disordered crystallographic shear block structure as fast-charging negative electrode material for lithium-ion batteries</title>
    <abstract language="eng">A well-ordered crystalline structure is crucial in battery electrodes, as the dimensionality and connectivity of the interstitial sites inherently influence Li+ ions diffusion kinetics. Niobium tungsten oxides block structures, composed of ReO3-type blocks of specific sizes with well-defined metal sites, are promising fast-charging negative electrode materials. Structural disorder is generally detrimental to conductivity or ion transport. However, here, we report an anomalous partially disordered Nb12WO33 structure that significantly enhances Li-ion storage performance compared to the known monoclinic Nb12WO33 phase. The partially disordered phase consists of corner-shared NbO6 octahedra blocks of varied sizes, including 5×4, 4×4, and 4×3, with a disordered arrangement of distorted WO4 tetrahedra at the corners of the blocks. This structural arrangement is robust during lithiation/delithiation, exhibiting minor local structure changes during cycling. It enables accelerated Li-ion migration, resulting in promising fast-charging performance, namely, 62.5 % and 44.7 % capacity retention at 20 C and 80 C, respectively. This study highlights the benefits of introducing disorder into niobium tungsten oxide shear structures, through the establishment of clear structure-performance correlations, offering guidelines for designing materials with targeted properties.</abstract>
    <parentTitle language="eng">Nature Communications</parentTitle>
    <identifier type="issn">2041-1723</identifier>
    <identifier type="doi">10.1038/s41467-025-61646-9</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-637994</identifier>
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Niobium tungsten oxides block structures, composed of ReO&lt;jats:sub&gt;3&lt;\/jats:sub&gt;-type blocks of specific sizes with well-defined metal sites, are promising fast-charging negative electrode materials. Structural disorder is generally detrimental to conductivity or ion transport. However, here, we report an anomalous partially disordered Nb&lt;jats:sub&gt;12&lt;\/jats:sub&gt;WO&lt;jats:sub&gt;33&lt;\/jats:sub&gt; structure that significantly enhances Li-ion storage performance compared to the known monoclinic Nb&lt;jats:sub&gt;12&lt;\/jats:sub&gt;WO&lt;jats:sub&gt;33&lt;\/jats:sub&gt; phase. The partially disordered phase consists of corner-shared NbO&lt;jats:sub&gt;6&lt;\/jats:sub&gt; octahedra blocks of varied sizes, including 5\u00d74, 4\u00d74, and 4\u00d73, with a disordered arrangement of distorted WO&lt;jats:sub&gt;4&lt;\/jats:sub&gt; tetrahedra at the corners of the blocks. 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    <title language="eng">Zirconium fluoride-supported high-entropy fluoride: a catalyst for enhanced oxygen evolution reaction</title>
    <abstract language="eng">Extended hydrogen initiatives promote the urgency of research on water splitting technologies and, therein, oxygen evolution reaction catalysts being developed. A route to access a ZrF4 supported high-entropy fluoride catalyst using a facile sol–gel route is presented. The high-entropy character of the catalyst was confirmed by scanning transmission electron microscopy and energy dispersive X-ray spectroscopy (STEM-EDX) as well as inductively coupled plasma-mass spectrometry (ICP-MS). Additional investigations on the local structure were performed using extended X-ray absorption fine structure spectroscopy (EXAFS) and pair distribution function (PDF) analysis. The catalyst shows significant potential for oxygen evolution reaction (OER) in alkaline media with a current density of 100 mA cm−2 at approximately 1.60 V, thus outperforming benchmark materials such as IrO2, despite a significant reduction in electrochemical mass loading. A potential mechanism is suggested based on free energy calculation using DFT calculations.</abstract>
    <parentTitle language="eng">Journal of Materials Chemistry A</parentTitle>
    <identifier type="issn">2050-7488</identifier>
    <identifier type="doi">10.1039/D4TA08664C</identifier>
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    <title language="eng">Settling Velocities of Tire and Road Wear Particles: Analyzing Finely Graded Density Fractions of Samples from a Road Simulator and a Highway Tunnel</title>
    <abstract language="eng">The terminal settling velocity is considered the most critical parameter determining the transport of tire and road wear particles (TRWP) in aquatic environments. Nonetheless, no respective empirical data has been reported so far. In this study, particle samples from a road simulator and a highway tunnel were investigated with a validated imaging method. Different density and size fractions of both samples were measured separately, acquiring sizes and settling velocities of more than 30,000 individual particles. In addition, tire marker polymers were analyzed for each fraction via thermal extraction desorption-gas chromatography/mass spectrometry. Finally, the acquired particle data was combined according to the fractions’ estimated tire contents in order to deduce detailed probability distributions of particle size and settling velocity for the actual TRWP from both samples. Weighted by TRWP-incorporated tire mass, median diameters of 54 and 44 μm as well as median settling velocities of 0.65 and 0.22 mm/s were found for TRWP from the road simulator and highway tunnel, respectively. This study thus provides the first ever empirical data on TRWP settling velocities in water, which can be highly valuable input for modeling the environmental transport of TRWP and for dimensioning TRWP retention systems.</abstract>
    <parentTitle language="eng">Environmental Science &amp; Technology</parentTitle>
    <identifier type="issn">0013-936X</identifier>
    <identifier type="doi">10.1021/acs.est.5c04165</identifier>
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    <author>Stefan Dittmar</author>
    <author>Steffen Weyrauch</author>
    <author>Thorsten Reemtsma</author>
    <author>Paul Eisentraut</author>
    <author>Korinna Altmann</author>
    <author>Aki S. Ruhl</author>
    <author>Martin Jekel</author>
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    <title language="eng">The Effect of Pore Functionality in Multicomponent Covalent Organic Frameworks on Stable Long‐Term Photocatalytic H&lt;sub&gt;2&lt;/sub&gt; Production</title>
    <abstract language="eng">AbstractIn nature, organic molecules play a vital role in light harvesting and photosynthesis. However, regarding artificial water splitting, the research focus is primarily on inorganic semiconductors. Although organic photocatalysts have high structural variability, they tend to exhibit lower quantum efficiencies for water splitting than their inorganic counterparts. Multicomponent reactions (MCRs) offer an attractive route to introduce different functional units into covalent organic frameworks (COFs) and enable semiconducting properties and high chemical stability, creating promising materials for long‐term photocatalytic applications, such as H2 production. Herein, five highly crystalline donor‐acceptor based, 4‐substituted quinoline‐linked MCR‐COFs are presented that are prepared via the three‐component Povarov reaction. The pore functionality is varied by applying different vinyl derivatives (e.g., styrene, 2‐vinyl pyridine, 4‐vinylpyridine, 4‐vinyl imidazole, 2,3,4,5,6‐pentafluorostyrene), which has a strong influence on the obtained photocatalytic activity. Especially an imidazole‐functionalized COF displays promising photocatalytic performance due to its high surface area, crystallinity, and wettability. These properties enable it to maintain its photocatalytic activity even in a membrane support. Furthermore, such MCR‐COFs display dramatically enhanced (photo)chemical stability even after long‐term solar light irradiation and exhibit a high and steady H2 evolution for at least 15 days.</abstract>
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    <title language="eng">Comparative Analysis of Airborne Particle Concentrations in Textile Industry Environments Throughout the Workday</title>
    <abstract language="eng">This paper addresses the growing concern surrounding microplastic pollution, particularly within the textile industry, and the associated potential health risks linked to the inhalation and ingestion of microplastic particles. Microplastics, defined as plastic particles smaller than five millimeters, are increasingly found not only in aquatic environments, but also in soils, air, and food. Although research on the health impacts of microplastics is still emerging, early studies indicate that these particles could contribute to health issues, including oxidative stress, inflammation, and cardiovascular diseases. Notably, individuals with higher concentrations of plastics in arterial plaques are more susceptible to heart attacks and strokes. In the textile industry, synthetic fibers such as polyester, nylon, and acrylic release microplastics into the air during production. The paper discusses a study conducted in a textile company that processes polyester yarns, where airborne microplastic concentrations were measured at various locations throughout the day. Particle sizes ranging from 0.3 nm to 10 nm were analyzed, revealing the presence of polyester polymers in the particulate matter. These findings underscore the widespread nature of microplastic pollution, particularly in industrial settings, and raise concerns about the health risks associated with prolonged exposure to airborne microplastics. While further research is necessary to fully understand the extent of these health impacts, preliminary data suggest a troubling link between microplastic inhalation and cardiovascular conditions.</abstract>
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    <author>Emilia Visileanu</author>
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    <title language="eng">Mechanochemical synthesis of multivariate UPO-3 (Cu-ZIF-9-ica) MOF for inactivation of antibiotic-resistant bacteria and irrigation-quality water production via heterogeneous photo-Fenton catalysis</title>
    <abstract language="eng">Water scarcity and pollution are critical global challenges, particularly in agriculture, the largest consumer of water. The development of sustainable, effective, and environmentally friendly disinfection methods is essential to address the risks posed by antibiotic-resistant bacteria and to ensure safe reuse of water for irrigation. In this study, we report the synthesis of the metal-organic framework (MOF) Universidad Pablo de Olavide-3 (UPO-3) via a mechanochemical approach, a scalable and sustainable method compared to traditional solvothermal synthesis. The resulting UPO-3/H2O2 system exhibits robust photocatalytic properties under visible light, achieving effective and broad-spectrum antibacterial activity. The disinfection efficiency of the catalyst was evaluated against Escherichia coli as a model of microbial pathogen in two saline matrices, considering the key parameters of the heterogeneous photo-Fenton process, including catalyst dosage, initial H2O2 concentration, and light irradiation. Notably, it inactivated two important virulent and antibiotic-resistant bacterial pathogens (Staphylococcus aureus and Pseudomonas aeruginosa). Furthermore, UPO-3 shows exceptional performance under real-world conditions, such as river water disinfection, achieving &gt;5-log reduction of E. coli, fulfilling a critical criterion for Class A water reuse under Regulation (EU) 2020/741. These results highlight UPO-3 as a versatile and sustainable solution for water reuse, addressing water scarcity and advancing efforts to achieve United Nations Sustainable Development Goal 6.</abstract>
    <parentTitle language="eng">Chemosphere</parentTitle>
    <identifier type="issn">0045-6535</identifier>
    <identifier type="doi">10.1016/j.chemosphere.2025.144610</identifier>
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    <author>Noelia Rodríguez-Sánchez</author>
    <author>J. Enrique Domínguez-Santos</author>
    <author>Biswajit Bhattacharya</author>
    <author>Carsten Prinz</author>
    <author>Inés Canosa</author>
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    <author>A. Rabdel Ruiz-Salvador</author>
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      <value>Mechanochemical synthesis</value>
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    <title language="eng">Insights into Mechanochemical Solid-State Ball-Milling Reaction: Monitoring Transition from Heterogeneous to Homogeneous Conditions</title>
    <abstract language="eng">As mechanochemical synthesis has advanced significantly, there has been intense interest in understanding the underlying mechanisms of these reactions. Given that many mechanochemical processes are conducted in the solid-state without solvation yet sometimes yield faster reactions than those in solution, we sought to address the following question: Are mechanochemical reactions homo- or heterogeneous? To investigate, we employed a model system involving the mixing and copolymerization of l-lactide (LLA) and d-lactide (DLA), monitored through powder X-ray diffraction (PXRD), nuclear magnetic resonance, and differential scanning calorimetry. In situ and ex situ PXRD analyses of the mixture of LLA and DLA showed that vibratory ball milling rapidly transformed the initially heterogeneous lactide mixture into a homogeneous phase within one min due to collisions between the balls and the jar. By varying the milling conditions, we were able to regulate the level of mixing, which subsequently influenced the copolymerization outcomes. In the solid-state ball-milling copolymerization of LLA and DLA in the presence of a catalyst and initiator, multiblock copolymers of poly(l-lactic acid) and poly(d-lactic acid) were formed within one min during the early stage of the reaction, when incomplete mixing of the monomers led to a process governed by phase heterogeneity. In contrast, prolonged polymerization promoted conditions approaching homogeneity, ultimately yielding atactic poly(lactic acid). This transition from heterogeneous to homogeneous reactions is a distinctive feature compared to conventional homogeneous reactions, potentially leading to mechano-exclusive reaction designs.</abstract>
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    <title language="eng">Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights</title>
    <abstract language="eng">Crystalline multicomponent organic solids (MOSs) such as cocrystals and ionic cocrystals hold immense potential in diverse functional applications, ranging from pharmaceuticals to optoelectronics. However, conventional solution-based crystallization methods often result in polymorphic mixtures and lack precise control over product composition. Herein, we report a comparative investigation of solution crystallization versus mechanochemical synthesis for constructing MOSs from 9-anthracenecarboxylic acid (ACA) and 4,4 '-bipyridine (BPY). Solution-based approaches consistently yielded concomitant formation of neutral cocrystal (CC) and ionic cocrystal (ICC) forms, regardless of the solvent used. The resulting multicomponent solids were comprehensively characterized using a combination of single crystal X-ray diffraction, powder X-ray diffraction, Fourier-transform infrared spectroscopy, differential thermal analysis, and thermogravimetric analysis. In contrast, mechanochemical methods, including neat grinding (without solvent) and liquid-assisted grinding (with minimum solvent), enabled selective formation of either a phase pure CC or ICC form. Less polar and nonpolar organic solvents favor the kinetic CC, while polar water promotes formation of the thermodynamically stable ICC. Time-resolved in situ powder X-ray diffraction (TRIS-PXRD) captures the dynamic evolution of solid-state phases and reveals the complete transformation of the CC into ICC under neat grinding or water-assisted conditions. This study highlights the powerful role of mechanochemistry and in situ monitoring in steering solid-state reactivity and offers a sustainable pathway for the targeted and scalable synthesis of pure multicomponent organic materials.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="issn">1466-8033</identifier>
    <identifier type="doi">10.1039/D5CE00663E</identifier>
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    <title language="eng">Evidence for liquid-liquid phase separation during the early stages of Mg-struvite formation</title>
    <abstract language="eng">The precipitation of struvite, a magnesium ammonium phosphate hexahydrate (MgNH₄PO₄ · 6H₂O) mineral, from wastewater is a promising method for recovering phosphorous. While this process is commonly used in engineered environments, our understanding of the underlying mechanisms responsible for the formation of struvite crystals remains limited. Specifically, indirect evidence suggests the involvement of an amorphous precursor and the occurrence of multi-step processes in struvite formation, which would indicate non-classical paths of nucleation and crystallization. In this study, we use synchrotron-based in situ x-ray scattering complemented by cryogenic transmission electron microscopy to obtain new insights from the earliest stages of struvite formation. The holistic scattering data captured the structure of an entire assembly in a time-resolved manner. The structural features comprise the aqueous medium, the growing struvite crystals, and any potential heterogeneities or complex entities. By analysing the scattering data, we found that the onset of crystallization causes a perturbation in the structure of the surrounding aqueous medium. This perturbation is characterized by the occurrence and evolution of Ornstein-Zernike fluctuations on a scale of about 1 nm, suggesting a non-classical nature of the system. We interpret this phenomenon as a liquid-liquid phase separation, which gives rise to the formation of the amorphous precursor phase preceding actual crystal growth of struvite. Our microscopy results confirm that the formation of Mg-struvite includes a short-lived amorphous phase, lasting &gt;10 s.</abstract>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stephanos Karafiludis</author>
    <author>E. Scoppola</author>
    <author>S.E. Wolf</author>
    <author>Z. Kochovski</author>
    <author>D. Matzdorff</author>
    <author>A. E. S. Van Driessche</author>
    <author>J. Hövelmann</author>
    <author>Franziska Emmerling</author>
    <author>Tomasz M. Stawski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Physical and theoretical chemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Non-classical crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Struvite</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Liquid-liquid-phase-separation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nucleation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystallization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In-situ scattering</value>
    </subject>
    <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="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>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
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    <language>eng</language>
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    <pageLast>12</pageLast>
    <pageNumber/>
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    <issue/>
    <volume>440</volume>
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    <title language="eng">Solution-driven processing of calcium sulfate: The mechanism of the reversible transformation of gypsum to bassanite in brines</title>
    <abstract language="eng">Here, we show that calcium sulfate dihydrate (gypsum) can be directly, rapidly and reversibly converted to calcium sulfate hemihydrate (bassanite) in high salinity solutions (brines). The optimum conditions for the efficient production of bassanite in a short time (&lt;5 min) involve the use of brines with c(NaCl) &gt; 4 M and maintaining a temperature, T &gt; 80 °C. When the solution containing bassanite crystals is cooled down to around room temperature, eventually gypsum is formed. When the temperature is raised again to T &gt; 80 °C, bassanite is rapidly re-precipitated. This contrasts with the better-known behaviour of the bassanite phase in low-salt environments. In low-salinity aqueous solutions, bassanite is considered to be metastable with respect to gypsum and anhydrite, and therefore gypsum-to-bassanite conversion does not occur in pure water. Interestingly, the high-salinity transformation of gypsum-to-bassanite has been reported by many authors and used in practice for several decades, although its very occurrence actually contradicts numerical thermodynamic predictions regarding solubility of calcium sulfate phases. By following the evolution of crystalline phases with in situ and time-resolved X-ray diffraction/scattering and Raman spectroscopy, we demonstrated that the phase stability in brines at elevated temperatures was inaccurately represented in the thermodynamic databases. Most notably for c(NaCl) &gt; 4 M, and T &gt; 80 °C gypsum becomes readily more soluble than bassanite, which induces the direct precipitation of the latter from gypsum. The fact that these transformations are controlled by the solution provides extensive opportunities for precise manipulation of crystal formation. Our experiments confirmed that bassanite remained the sole crystalline phase for many hours before reverting into gypsum. This property is extremely advantageous for practical processing and efficient crystal extraction in industrial scenarios.</abstract>
    <parentTitle language="eng">Journal of Cleaner Production</parentTitle>
    <identifier type="url">https://www.sciencedirect.com/science/article/pii/S0959652624004591#appsec1</identifier>
    <identifier type="doi">10.1016/j.jclepro.2024.141012</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-594698</identifier>
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    <title language="eng">Effects of Ligand Substituents on the Character of Zn-Coordination in Zeolitic Imidazolate Frameworks</title>
    <abstract language="eng">Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite widespread interest in these materials, fundamental questions regarding the zinc coordination environment remain poorly understood. By focusing on zinc(II)2-methylimidazolate (ZIF-8) and its tetrahedrally coordinated analogues with Br-, Cl-, and H-substitution in the 2-ring position, we aim to clarify how variations in the local environment of Zn impact the charge distribution and the electronic properties of these materials. Our results from densityfunctional theory confirm the presence of a Zn coordinative bond with a large polarization that is quantitatively affected by different substituents on the organic ligand. Moreover, our findings suggest that the variations in the Zn coordination induced by the functionalization have a negligible effect on the electronic structure of the considered compounds. On the other hand, halogen terminations of the ligands lead to distinct electronic contributions in the vicinity of the frontier region which ultimately reduce the band gap size by a few hundred millielectron volts. Experimental results obtained from X-ray absorption spectroscopy (Zn K-edge) confirm the trends predicted by theory and, together with them, contribute to a better understanding of the structure−property relationships that are needed to tailor ZIFs for target applications.</abstract>
    <parentTitle language="eng">The Journal of Physical Chemistry C</parentTitle>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Joshua Edzards</author>
    <author>Holger-Dietrich Saßnick</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Ana M. Valencia</author>
    <author>Franziska Emmerling</author>
    <author>Sebastian Beyer</author>
    <author>Caterina Cocchi</author>
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    <title language="eng">Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(n-pica)]n</title>
    <abstract language="eng">This study investigates the mechanochemical reactions between AgBr 3-picolylamine and 4-picolylamine. The use of different stoichiometry ratios of the reagents allows [(AgBr)(n-pica)]n and [(AgBr)2(n-pica)]n to be obtained, and we report the new structures of [(AgBr)2(3-pica)]n and [(AgBr)2(4-pica)]n which are characterized by the presence of the following: (a) infinite inorganic chains, (b) silver atom coordinated only by bromide atoms and (c) argentophilic interactions. Furthermore, we studied the interconversion of [(AgBr)(n-pica)]n/[(AgBr)2(n-pica)]n by mechanochemical and thermal properties. The in situ experiments suggest that [(AgBr)(3-pica)]n is kinetically favoured while [(AgBr)2(3-pica)]n is converted into [(AgBr)(3-pica)]n only with a high excess of the ligand. Finally, the liquid nature of the ligands is not sufficient to assist the grinding process, and the complete reaction is observed with the addition of a small quantity of acetonitrile.</abstract>
    <parentTitle language="eng">Physical Chemistry Chemical Physics</parentTitle>
    <identifier type="doi">10.1039/d3cp04791a</identifier>
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    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">07.02.2024</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Caterina Zuffa</author>
    <author>Chiara Cappuccino</author>
    <author>Lucia Casali</author>
    <author>Franziska Emmerling</author>
    <author>Lucia Maini</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Complex</value>
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    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
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    <collection role="themenfelder" number="">Materialdesign</collection>
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    <file>https://opus4.kobv.de/opus4-bam/files/59475/d3cp04791a.pdf</file>
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    <language>eng</language>
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    <edition/>
    <issue>18</issue>
    <volume>4</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
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    <title language="eng">A database to select affordable MOFs for volumetric hydrogen cryoadsorption considering the cost of their linkers</title>
    <abstract language="eng">Physical adsorption at cryogenic temperature (cryoadsorption) is a reversible mechanism that can reduce the pressure of conventional compressed gas storage systems. Metal–organic framework (MOF) materials are remarkable candidates due to the combination of high specific surface area and density which, in some cases, provide a high volumetric storage capacity. However, such extensive use of MOFs for this application requires the selection of affordable structures, easy to produce and made from feasible metallic and organic components. Herein, we introduce a MOF database detailing the crystallographic and porous properties of 3600 existing MOFs made from industrially relevant metals and their organic composition. The comparison of the available minimum costs of linkers allowed the creation of a database to select affordable structures with high potential for volumetric hydrogen storage by cryoadsorption, considering their composition based on individual or mixed building blocks. A user inter� face, available online, facilitates the selection of MOFs based on the properties or names of structures and linkers.</abstract>
    <parentTitle language="eng">Materials advances</parentTitle>
    <identifier type="doi">10.1039/d3ma00315a</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-583619</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">20.09.2023</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>José Antonio Villajos Collado</author>
    <author>M. Bienert</author>
    <author>Nikita Gugin</author>
    <author>Franziska Emmerling</author>
    <author>Michael Maiwald</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MOF´s</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
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    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
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    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/58361/A database_DOI10.1039.pdf</file>
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    <id>58807</id>
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    <publishedYear>2023</publishedYear>
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    <language>eng</language>
    <pageFirst>23637</pageFirst>
    <pageLast>23644</pageLast>
    <pageNumber/>
    <edition/>
    <issue>35</issue>
    <volume>25</volume>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
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    <title language="eng">Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: &lt;i&gt;in situ&lt;/i&gt; investigation and isolation of reaction intermediates</title>
    <abstract language="eng">Mechanochemistry has proven to be a highly effective method for the synthesis of organic compounds. We studied the kinetics of the catalyst-free Knoevenagel reaction between 4-nitrobenzaldehyde and malononitrile, activated and driven by ball milling. The reaction was investigated in the absence of solvents (neat grinding) and in the presence of solvents with different polarities (liquid-assisted grinding). The reaction was monitored using time-resolved in situ Raman spectroscopy and powder X-ray diffraction (PXRD). Our results indicate a direct relationship between solvent polarity and reaction kinetics, with higher solvent polarity leading to faster product (2-(4-nitrobenzylidone)malononitrile) formation. For the first time, we were able to isolate and determine the structure of an intermediate 2-(hydroxy(4-nitrophenyl)methyl)malononitrile based on PXRD data.</abstract>
    <parentTitle language="eng">Physical Chemistry Chemical Physics</parentTitle>
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    <author>Kerstin Scheurrell</author>
    <author>Inês C. B. Martins</author>
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    <title language="eng">Time-, space- and energy-resolved &lt;i&gt;in situ&lt;/i&gt; characterization of catalysts by X-ray absorption spectroscopy</title>
    <abstract language="eng">A novel setup for dispersive X-ray absorption spectroscopy (XAS) with simultaneous resolution of space, time and energy for in situ characterization of solid materials is demonstrated.</abstract>
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    <author>Ana de Oliveira Guilherme Buzanich</author>
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      <value>Catalysis</value>
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      <value>In situ</value>
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      <value>Structure analysis</value>
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    <title language="eng">A promising approach to monitor microplastic masses in composts</title>
    <abstract language="eng">Inputs of plastic impurities into the environment via the application of fertilizers are regulated in Germany and the EU by means of ordinances. Robust and fast analytical methods are the basis of legal regulations. Currently, only macro- and large microplastic contents (&gt;1 mm) are measured. Microplastics (1–1,000 µm), are not yet monitored. Thermal analytical methods are suitable for this purpose, which can determine the mass content and can also be operated fully automatically in routine mode. Thermal extraction desorption-gas chromatography/mass spectrometry (TED-GC/MS) allows the identification of polymers and the determination of mass contents in solid samples from natural environments. In accordance with the German or European Commission (EC) Fertiliser Ordinance, composting plants should be monitored for microplastic particles with this method in the future. In this context a compost plant was sampled. At the end of the rotting process, the compost was sieved and separated in a coarse (&gt;1 mm) and a fine fraction (&lt;1 mm). The fine fraction was processed using density separation comparing NaCl and NaI as possible salt alternative and screened for microplastic masses by TED-GC/MS with additional validation and quality assurance experiments. With TED-GC/MS total microplastics mass contents of 1.1–3.0 μg/mg in finished compost could be detected with polyethylene mainly. What differs much to the total mass of plastics in the coarse fraction with up to 60 μg/mg, which were visually searched, identified via ATR-FTIR and gravimetrically weighted.</abstract>
    <parentTitle language="eng">Frontiers in Environmental Chemistry</parentTitle>
    <identifier type="doi">10.3389/fenvc.2023.1281558</identifier>
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    <author>Yosri Wiesner</author>
    <author>Marius Bednarz</author>
    <author>Ulrike Braun</author>
    <author>Claus Gerhard Bannick</author>
    <author>Mathias Ricking</author>
    <author>Korinna Altmann</author>
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      <value>Microplastics</value>
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      <language>eng</language>
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      <value>Monitoring</value>
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      <value>Soil</value>
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    <title language="eng">A fluorolytic sol-gel route to access an amorphous Zr fluoride catalyst: A useful tool for C-F bond activation</title>
    <abstract language="eng">A route to a ZrF4 catalyst active in room temperature Friedel–Crafts and dehydrofluorination reactions was developed via a fluorolytic sol–gel route, which was followed by a postfluorination step using a stream of CHClF2. The behaviour of different Zr(IV) precursors in a sol–gel reaction with anhydrous isopropanol/HF solution was investigated. The subsequent post-fluorination step was optimised in its temperature ramp and confirmed the necessity of a fluorination of the generated xerogels to obtain catalytic activity. The process is discussed in the context of the analysis of the materials using Brunauer–Emmett–Teller analysis (BET), powder X-ray diffraction (XRD), infrared spectroscopy (IR), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The local structure of the amorphous catalyst was elucidated by extended X-ray absorption fine structure spectroscopy (EXAFS).</abstract>
    <parentTitle language="eng">Catalysis Science &amp; Technology</parentTitle>
    <identifier type="doi">10.1039/D3CY01439H</identifier>
    <identifier type="issn">2044-4761</identifier>
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    <author>Christian Heinekamp</author>
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    <author>Mike Ahrens</author>
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    <author>Franziska Emmerling</author>
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      <value>C-F bond activation</value>
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      <language>eng</language>
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      <value>Postfluorination</value>
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    <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/59343/d3cy01439h.pdf</file>
  </doc>
  <doc>
    <id>51124</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>89</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>8</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Fast Detection of 2,4,6-Trinitrotoluene (TNT) at ppt Level by a Laser-Induced Immunofluorometric Biosensor</title>
    <abstract language="eng">The illegal use of explosives by terrorists and other criminals is an increasing issue in public spaces, such as airports, railway stations, highways, sports venues, theaters, and other large buildings. Security in these environments can be achieved by different means, including the installation of scanners and other analytical devices to detect ultra-small traces of explosives in a very short time-frame to be able to take action as early as possible to prevent the detonation of such devices. Unfortunately, an ideal explosive detection system still does not exist, which means that a compromise is needed in practice. Most detection devices lack the extreme analytical sensitivity, which is nevertheless necessary due to the low vapor pressure of nearly all explosives. In addition, the rate of false positives needs to be virtually zero, which is also very difficult to achieve. Here we present an immunosensor system based on kinetic competition, which is known to be very fast and may even overcome affinity limitation, which impairs the performance of many traditional competitive assays. This immunosensor consists of a monolithic glass column with a vast excess of immobilized hapten, which traps the fluorescently labeled antibody as long as no explosive is present. In the case of the explosive 2,4,6-trinitrotoluene (TNT), some binding sites of the antibody will be blocked, which leads to an immediate breakthrough of the labeled protein, detectable by highly sensitive laser-induced fluorescence with the help of a Peltier-cooled complementary metal-oxide-semiconductor (CMOS) camera. Liquid handling is performed with high-precision syringe pumps and chip-based mixing-devices and flow-cells. The system achieved limits of detection of 1 pM (1 ppt) of the fluorescent label and around 100 pM (20 ppt) of TNT. The total assay time is less than 8 min. A cross-reactivity test with 5000 pM solutions showed no signal by pentaerythritol tetranitrate (PETN), 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX). This immunosensor belongs to the most sensitive and fastest detectors for TNT with no significant cross-reactivity by non-related compounds. The consumption of the labeled antibody is surprisingly low: 1 mg of the reagent would be sufficient for more than one year of continuous biosensor operation.</abstract>
    <parentTitle language="eng">Biosensors</parentTitle>
    <identifier type="doi">10.3390/bios10080089</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-511245</identifier>
    <enrichment key="date_peer_review">17.08.2020</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>Martin Paul</author>
    <author>Georg Tscheuschner</author>
    <author>Stefan Herrmann</author>
    <author>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Airport</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aviation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bombs</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Terrorism</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biosensing</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Continuous Sensor</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-Speed</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ultrasensitive</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="624">Ingenieurbau</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.5 Proteinanalytik</collection>
    <collection role="themenfelder" number="">Infrastruktur</collection>
    <collection role="themenfelder" number="">Security</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/51124/Paul-2020-Biosensors.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/51124/Paul-Biosensors-Supplementary-Materials.pdf</file>
  </doc>
  <doc>
    <id>51705</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>4950</pageFirst>
    <pageLast>4961</pageLast>
    <pageNumber/>
    <edition/>
    <issue>22</issue>
    <volume>8</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">Optimization of analytical assay performance of antibody-gated indicator-releasing mesoporous silica particles</title>
    <abstract language="eng">Antibody-gated indicator delivery (gAID) systems based on mesoporous silica nano- and microparticle scaffolds are a promising class of materials for the sensitive chemical detection of small-molecule analytes in simple test formats such as lateral flow assays (LFAs) or microfluidic chips. Their architecture is reminiscent of drug delivery systems, only that reporter molecules instead of drugs are stored in the voids of a porous host particle. In addition, the pores are closed with macromolecular “caps” through a tailored “gatekeeping” recognition chemistry so that the caps are opened when an analyte has reacted with a “gatekeeper”. The subsequent uncapping leads to a release of a large number of indicator molecules, endowing the system with signal amplification features. Particular benefits of such systems are their modularity and adaptability. With the example of the immunochemical detection of type-I pyrethroids by fluorescent dye-releasing gAID systems, the influence of several tuning modes on the optimisation of such hybrid sensory materials is introduced here. In particular, different mesoporous silica supports (from nano- and microparticles to platelets and short fibres), different functionalisation routes and different loading sequences were assessed. The materials’ performances were evaluated by studying their temporal response behaviour and detection sensitivity, including the tightness of pore closure (through the amount of blank release in the absence of analyte) and the release kinetics. Our results indicate that the better the paratope-accommodating Fab region of the antibody “cap” fits into the host material's pore opening, the better the closing/opening mechanism can be controlled. Because such materials are well-suited for LFAs, performance assessment included a test-strip format besides conventional assays in suspension. In combination with dyes as indicators and smartphones for read-out, simple analytical tests for use by untrained personnel directly at a point-of-need such as an aeroplane cabin can be devised, allowing for sensitivities down to the μg kg−1 range in &lt;5 min with case-required selectivities.</abstract>
    <parentTitle language="eng">Journal of Materials Chemistry B</parentTitle>
    <identifier type="doi">10.1039/d0tb00371a</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-517053</identifier>
    <enrichment key="date_peer_review">08.06.2020</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Elena Costa</author>
    <author>Estela Climent Terol</author>
    <author>Kornelia Gawlitza</author>
    <author>Wei Wan</author>
    <author>Michael G. Weller</author>
    <author>Knut Rurack</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Antibody-gated indicator delivery</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lateral flow assay</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SBA-15</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SBA-16</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Type-I pyrethroids</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phenothrin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Permethrin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Etofenprox</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Amplification</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Biosensors</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Immunoassays</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mesoporous particles</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Optical detection</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="">1.5 Proteinanalytik</collection>
    <collection role="institutes" number="">1.9 Chemische und optische Sensorik</collection>
    <collection role="themenfelder" number="">Umwelt</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>
    <collection role="themenfelder" number="">Sensorik</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51705/Costa-2020-JMaterChemB-Supplement.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/51705/Costa-2020-JMaterChemB.pdf</file>
  </doc>
  <doc>
    <id>50661</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>17</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>9</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Fast Confirmation of Antibody Identity by MALDI-TOF MS Fingerprints</title>
    <abstract language="eng">Thousands of antibodies for diagnostic and other analytical purposes are on the market. However, it is often difficult to identify duplicates, reagent changes, and to assign the correct original publications to an antibody. This slows down scientific progress and might even be a cause of irreproducible research and a waste of resources. Recently, activities were started to suggest the sole use of recombinant antibodies in combination with the open communication of their sequence. In this case, such uncertainties should be eliminated. Unfortunately, this approach seems to be rather a long-term vision since the development and manufacturing of recombinant antibodies remain quite expensive in the foreseeable future. Nearly all commercial antibody suppliers also may be reluctant to publish the sequence of their antibodies, since they fear counterfeiting. De novo sequencing of antibodies is also not feasible today for a reagent user without access to the hybridoma clone. Nevertheless, it seems to be crucial for any scientist to have the opportunity to identify an antibody undoubtedly to guarantee the traceability of any research activity using antibodies from a third party as a tool. For this purpose, we developed a method for the identification of antibodies based on a MALDI-TOF MS fingerprint. To circumvent lengthy denaturation, reduction, alkylation, and enzymatic digestion steps, the fragmentation was performed with a simple formic acid hydrolysis step. Eighty-nine unknown monoclonal antibodies were used for this study to examine the feasibility of this approach. Although the molecular assignment of peaks was rarely possible, antibodies could be easily recognized in a blinded test, simply from their mass-spectral fingerprint. A general protocol is given, which could be used without any optimization to generate fingerprints for a database. We want to propose that, in most scientific projects relying critically on antibody reagents, such a fingerprint should be established to prove and document the identity of the used antibodies, as well as to assign a specific reagent to a datasheet of a commercial supplier, public database record, or antibody ID.</abstract>
    <parentTitle language="eng">Antibodies</parentTitle>
    <identifier type="doi">10.3390/antib9020008</identifier>
    <identifier type="issn">2073-4468</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-506611</identifier>
    <enrichment key="date_peer_review">15.04.2020</enrichment>
    <enrichment key="RelatedIdentifier">https://nbn-resolving.org/urn:nbn:de:kobv:b43-506590</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Georg Tscheuschner</author>
    <author>Timm Schwaar</author>
    <author>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reproducibility</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Quality Control</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Traceability</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Diagnostics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hybridoma</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Monoclonal Antibody</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Recombinant Antibody</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="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/50661/Tscheuschner-2020-Antibodies.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/50661/Tscheuschner-2020-Antibodies Supplement1.pdf</file>
  </doc>
  <doc>
    <id>51712</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>101581</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>37</volume>
    <type>article</type>
    <publisherName>Elsevier B.V.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Chemical modification of pro-inflammatory proteins by peroxynitrite increases activation of TLR4 and NF-κB: Implications for the health effects of air pollution and oxidative stress</title>
    <abstract language="eng">Environmental pollutants like fine particulate matter can cause adverse health effects through oxidative stress and inflammation. Reactive oxygen and nitrogen species (ROS/RNS) such as peroxynitrite can chemically modify proteins, but the effects of such modifications on the immune system and human health are not well understood. In the course of inflammatory processes, the Toll-like receptor 4 (TLR4) can sense damage-associated molecular patterns (DAMPs). Here, we investigate how the TLR4 response and pro-inflammatory potential of the proteinous DAMPs α-Synuclein (α-Syn), heat shock protein 60 (HSP60), and high-mobility-group box 1 protein (HMGB1), which are relevant in neurodegenerative and cardiovascular diseases, changes upon chemical modification with peroxynitrite.&#13;
&#13;
For the peroxynitrite-modified proteins, we found a strongly enhanced activation of TLR4 and the pro-inflammatory transcription factor NF-κB in stable reporter cell lines as well as increased mRNA expression and secretion of the pro-inflammatory cytokines TNF-α, IL-1β, and IL-8 in human monocytes (THP-1). This enhanced activation of innate immunity via TLR4 is mediated by covalent chemical modifications of the studied DAMPs.&#13;
&#13;
Our results show that proteinous DAMPs modified by peroxynitrite more potently amplify inflammation via TLR4 activation than the native DAMPs, and provide first evidence that such modifications can directly enhance innate immune responses via a defined receptor. These findings suggest that environmental pollutants and related ROS/RNS may play a role in promoting acute and chronic inflammatory disorders by structurally modifying the body's own DAMPs. This may have important consequences for chronic neurodegenerative, cardiovascular or gastrointestinal diseases that are prevalent in modern societies, and calls for action, to improve air quality and climate in the Anthropocene.</abstract>
    <parentTitle language="eng">Redox Biology</parentTitle>
    <identifier type="doi">10.1016/j.redox.2020.101581</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-517128</identifier>
    <enrichment key="date_peer_review">02.12.2020</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>K. Ziegler</author>
    <author>A. T. Kunert</author>
    <author>K. Reinmuth-Selzle</author>
    <author>A. L. Leifke</author>
    <author>D. Widera</author>
    <author>Michael G. Weller</author>
    <author>D. Schuppan</author>
    <author>J. Fröhlich-Nowoisky</author>
    <author>K. Lucas</author>
    <author>U. Pöschl</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Protein nitration</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Protein oligomerization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Damage-associated molecular patterns (DAMPs)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Pattern recognition receptor</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Anthropocene</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Environmental pollutants</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="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/51712/Ziegler-2020-RedoxBiology.pdf</file>
  </doc>
  <doc>
    <id>51715</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>61875</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>19</volume>
    <type>article</type>
    <publisherName>SAGE</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Molecular MR-Imaging for Noninvasive Quantification of the Anti-Inflammatory Effect of Targeting Interleukin-1β in a Mouse Model of Aortic Aneurysm</title>
    <abstract language="eng">Background:&#13;
Molecular-MRI is a promising imaging modality for the assessment of abdominal aortic aneurysms (AAAs). Interleukin-1β (IL-1β) represents a new therapeutic tool for AAA-treatment, since pro-inflammatory cytokines are key-mediators of inflammation. This study investigates the potential of molecular-MRI to evaluate therapeutic effects of an anti-IL-1β-therapy on AAA-formation in a mouse-model.&#13;
&#13;
Methods:&#13;
Osmotic-minipumps were implanted in apolipoprotein-deficient-mice (N = 27). One group (Ang-II+01BSUR group, n = 9) was infused with angiotensin-II (Ang-II) for 4 weeks and received an anti-murine IL-1β-antibody (01BSUR) 3 times. One group (Ang-II-group, n = 9) was infused with Ang-II for 4 weeks but received no treatment. Control-group (n = 9) was infused with saline and received no treatment. MR-imaging was performed using an elastin-specific gadolinium-based-probe (0.2 mmol/kg).&#13;
&#13;
Results:&#13;
Mice of the Ang-II+01BSUR-group showed a lower aortic-diameter compared to mice of the Ang-II-group and control mice (p &lt; 0.05). Using the elastin-specific-probe, a significant decrease in elastin-destruction was observed in mice of the Ang-II+01BSUR-group. In vivo MR-measurements correlated well with histopathology (y = 0.34x-13.81, R2 = 0.84, p &lt; 0.05), ICP-MS (y = 0.02x+2.39; R2 = 0.81, p &lt; 0.05) and LA-ICP-MS. Immunofluorescence and western-blotting confirmed a reduced IL-1β-expression.&#13;
&#13;
Conclusions:&#13;
Molecular-MRI enables the early visualization and quantification of the anti-inflammatory-effects of an IL-1β-inhibitor in a mouse-model of AAAs. Responders and non-responders could be identified early after the initiation of the therapy using molecular-MRI.</abstract>
    <parentTitle language="eng">Molecular Imaging</parentTitle>
    <identifier type="doi">10.1177/1536012120961875</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-517150</identifier>
    <note>Geburtsname von Ponader, Marco: Wilke, M. -  Birth name of Ponader, Marco: Wilke, M.</note>
    <enrichment key="date_peer_review">02.12.2020</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>J. Brangsch</author>
    <author>C. Reimann</author>
    <author>Jan Ole Kaufmann</author>
    <author>L. C. Adams</author>
    <author>D. Onthank</author>
    <author>C. Thöne-Reineke</author>
    <author>S. Robinson</author>
    <author>Marco Ponader</author>
    <author>Michael G. Weller</author>
    <author>R. Buchholz</author>
    <author>U. Karst</author>
    <author>R. Botnar</author>
    <author>B. Hamm</author>
    <author>M. R. Makowski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cardiovascular</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Molecular-MRI</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Magnetic resonance imaging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gadolinium-based contrast agent</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elastin-specific contrast agent ESMA</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gadovist</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gadofosveset</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MR Angiography</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Inductively Coupled Mass Spectroscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Element Specific Bioimaging Using Laser Ablation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Visualization</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="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/51715/Brangsch-2020-MolecularImaging.pdf</file>
  </doc>
  <doc>
    <id>51842</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>23862</pageFirst>
    <pageLast>23869</pageLast>
    <pageNumber/>
    <edition/>
    <issue>52</issue>
    <volume>59</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">Multiplexed Detection of Analytes on Single Test Strips with Antibody-Gated Indicator-Releasing Mesoporous Nanoparticles</title>
    <abstract language="eng">Rapid testing methods for the use directly at apointof need are expected to unfold their true potential especiallywhen offering adequate capabilities for the simultaneousmeasurement of multiple analytes of interest. Considering theunique modularity,high sensitivity,and selectivity of antibody-gated indicator delivery (gAID) systems,amultiplexed assayfor three small-molecule explosives (TATP, TNT,PETN) wasthus developed, allowing to detect the analytes simultaneouslywith asingle test strip at lower ppb concentrations in the liquidphase in &lt; 5min using afluorescence reader or asmartphonefor readout. While the TNT and PETN systems were newlydeveloped here,all the three systems also tolerated harshermatrices than buffered aqueous model solutions.Besidesasingle-track strip,the outstanding modularity of the hybridbiosensor materials in combination with strip-patterningtechnologies allowed us to obtain amultichannel strip inastraightforwardmanner,offering comparable analyticalperformance while allowing to be tailored even more to theusersneed.</abstract>
    <parentTitle language="eng">Angewandte Chemie - International Edition</parentTitle>
    <identifier type="doi">10.1002/anie.202009000</identifier>
    <identifier type="issn">1433-7851</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-518424</identifier>
    <identifier type="issn">1521-3773</identifier>
    <enrichment key="date_peer_review">16.12.2020</enrichment>
    <enrichment key="RelatedIdentifier">https://nbn-resolving.org/urn:nbn:de:kobv:b43-518431</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Estela Climent Terol</author>
    <author>Mustafa Biyikal</author>
    <author>Delia Gröninger</author>
    <author>Michael G. Weller</author>
    <author>R. Martínez Mánez</author>
    <author>Knut Rurack</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multiplexing</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Explosives detection</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Gated materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fluorescence</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="">1.9 Chemische und optische Sensorik</collection>
    <collection role="themenfelder" number="">Umwelt</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="">Sensorik</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51842/Multiplexed Detection of Analytes on Single Test Strips.pdf</file>
  </doc>
  <doc>
    <id>52144</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>5</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>4</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The Protocol Gap</title>
    <abstract language="eng">Although peer review is considered one of the main pillars of modern science, experimental methods and protocols seem to be not a rigorous subject of this process in many papers. Commercial equipment, test kits, labeling kits, previously published concepts, and standard protocols are often considered to be not worth a detailed description or validation. Even more disturbing is the extremely biased citation behavior in this context, which sometimes leads to surrogate citations to avoid low-impact journals, preprints, or to indicate traditional practices. This article describes some of these surprising habits and suggests some measures to avoid the most unpleasant effects, which in the long term may undermine the credibility of science as a whole.</abstract>
    <parentTitle language="eng">Methods and Protocols</parentTitle>
    <identifier type="doi">10.3390/mps4010012</identifier>
    <identifier type="issn">2409-9279</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-521440</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">22.02.2021</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>Michael G. Weller</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Validation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Peer review</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Experiment</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Documentation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Scientific publication</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Reproducibility crisis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Replication crisis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Trust</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Citation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>References</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Surrogate citations</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Impact</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="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/52144/Weller-2021-MethodsProtocols the protocol gap.pdf</file>
  </doc>
  <doc>
    <id>64142</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
    <publisherPlace>Cambridge</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">From strong to weak interaction: Reconciling SQUID and μSQUID-EPR data in anomalous Co(ii) dimers</title>
    <abstract language="eng">Magnetic molecules have been proposed as scaffolds for novel quantum technologies, ranging from quantum sensing and quantum memory to multilevel quantum bits (qudits) and fault-tolerant quantum computation. Integration of magnetic molecules into cutting-edge applications hinges on a deep understanding and tunability of their spin states. To date, the strategic manipulation of the local environment of the ion and careful selection of the magnetic core have enabled the desired tunability and scalability of the spin states. For such goals, however, extracting the anisotropic parameters that dictate the characteristics of the Spin Hamiltonian is challenging, especially for molecules consisting of multiple magnetic cores. We address these challenges by studying two cobalt(II) dinuclear systems, complicated by inherent spin–orbit coupling. We explore the magnetic properties of these systems in two temperature regimes: (i) at sub-Kelvin temperatures employing single crystals at 30 mK using a unique μSQUID-EPR technique that examines the microwave absorption peaks in the magnetisation data and their variation with field angle and frequency; and (ii) in bulk employing convectional SQUID magnetometry above 2 K i.e., χMT(T) and M(H). Unexpectedly, sub-Kelvin temperature investigations reveal a negligible interaction, whereas the SQUID data reveal a much stronger interaction between the Co(II) ions. An understanding of these data is developed based on a strong coupling model and the coupling of two moieties with a spin-effective ground state.</abstract>
    <parentTitle language="eng">Inorganic chemistry frontiers</parentTitle>
    <identifier type="issn">2052-1553</identifier>
    <identifier type="doi">10.1039/D5QI01387A</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-641421</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="local_crossrefLicence">http://creativecommons.org/licenses/by/3.0/</enrichment>
    <enrichment key="local_import_origin">crossref</enrichment>
    <enrichment key="opus.source">doi-import</enrichment>
    <enrichment key="date_peer_review">29.09.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Sagar Paul</author>
    <author>Malay Dolai</author>
    <author>Juli Nanda Goswami</author>
    <author>Biswajit Bhattacharya</author>
    <author>Franziska Emmerling</author>
    <author>Michael G. B. Drew</author>
    <author>Shouvik Chattopadhyay</author>
    <author>Rabi Sankar Sarkar</author>
    <author>Appu Sunil</author>
    <author>Ghenadie Novitchi</author>
    <author>Eufemio Moreno-Pineda</author>
    <author>Wolfgang Wernsdorfer</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>cOBALT(II)-complex</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>In situ complex formation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Magnetic property</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crystal structure</value>
    </subject>
    <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="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/64142/d5qi01387a.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/64142/d5qi01387a1.pdf</file>
  </doc>
  <doc>
    <id>64758</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>55341</pageFirst>
    <pageLast>55354</pageLast>
    <pageNumber/>
    <edition/>
    <issue>27</issue>
    <volume>51</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Effect of sintering temperature on structural, microstructural, and dielectric properties of (Co0.2Fe0.2Ni0.2Al0.2Ti0.2)3O4 multi-cations high entropy oxides</title>
    <abstract language="eng">The study reports the effect of sintering temperature on structural, microstructural, and dielectric properties of (Co0.2Fe0.2Ni0.2Al0.2Ti0.2)3O4 spinel high-entropy oxides (HEOs) synthesized through the solid-state mechanochemistry method. The sintering of the ceramic powders was accomplished at three different temperatures (1000 ◦C, 1100 ◦C, and 1250 ◦C), followed by air quenching. XRD analysis along with Le-Bail refinement confirms that 1100 ◦C and 1250 ◦C sintered oxides comprised of a single cubic spinel phase (Fd3m), while 1000 ◦C sintered oxide contains constituent oxides and a spinel phase. The phase formation of oxides sintered at 1100 ◦C and 1250 ◦C has also been confirmed by Raman spectroscopic analysis. Microstructural analysis revealed that the aggregated particle size increases with the rise in sintering temperature. With the change in sintering temperature, the dielectric behavior of the ceramic changed extensively. The 1100 ◦C sintered ceramic exhibits high frequency-dependent behavior, whereas the 1250 ◦C sintered ceramic yields low frequency-dependent behavior. The 1250 ◦C sintered HEO exhibits low-loss tangent (tan δ = 0.01) with higher dielectric permittivity (εʹ = 44) at high frequency (1 MHz) compared to the 1100 ◦C sintered ceramic and many other conventional dielectrics. &#13;
Fractal concept and impedance analysis have been employed to correlate the microstructure-dielectric property relation of (Co0.2Fe0.2Ni0.2Al0.2Ti0.2)3O4 spinel HEOs. The found Hurst exponent values for both different temperature-sintered HEOs are less than 0.5, indicating the anti-persistent behavior. This signifies that the height variations at neighboring pixels are negatively correlated. The present work is of fundamental importance in employing fractal analysis for the first time on spinel HEOs and correlating their properties. It also shows that processing conditions can effectively tailor the dielectric properties of the materials.</abstract>
    <parentTitle language="eng">Ceramics International</parentTitle>
    <identifier type="issn">0272-8842</identifier>
    <identifier type="doi">10.1016/j.ceramint.2025.09.256</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-647584</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="local_crossrefLicence">https://www.elsevier.com/tdm/userlicense/1.0/</enrichment>
    <enrichment key="local_import_origin">crossref</enrichment>
    <enrichment key="local_doiImportPopulated">PersonAuthorFirstName_1,PersonAuthorLastName_1,PersonAuthorIdentifierOrcid_1,PersonAuthorFirstName_2,PersonAuthorLastName_2,PersonAuthorIdentifierOrcid_2,PersonAuthorFirstName_3,PersonAuthorLastName_3,PersonAuthorIdentifierOrcid_3,PersonAuthorFirstName_4,PersonAuthorLastName_4,PersonAuthorFirstName_5,PersonAuthorLastName_5,PersonAuthorFirstName_6,PersonAuthorLastName_6,PersonAuthorFirstName_7,PersonAuthorLastName_7,PublisherName,TitleMain_1,Language,TitleParent_1,PageFirst,PageLast,Issue,Volume,PublishedYear,IdentifierIssn,Enrichmentlocal_crossrefLicence</enrichment>
    <enrichment key="opus.source">doi-import</enrichment>
    <enrichment key="date_peer_review">19.11.2025</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>Rajesh K. Mishra</author>
    <author>F.B. Minussi</author>
    <author>Priyanka Kumari</author>
    <author>Rohit R. Shahi</author>
    <author>R.P. Yadav</author>
    <author>Franziska Emmerling</author>
    <author>E.B. Araújo</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multi-cations high entropy oxide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Spinel structure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fractal and impedance spectroscopic analysis</value>
    </subject>
    <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="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="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/64758/effect of sintering temperature.pdf</file>
  </doc>
  <doc>
    <id>64155</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>7989</pageFirst>
    <pageLast>8001</pageLast>
    <pageNumber/>
    <edition/>
    <issue>19</issue>
    <volume>25</volume>
    <type>article</type>
    <publisherName>American Chemical Society (ACS)</publisherName>
    <publisherPlace>Washington, DC</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">High-Entropy Phosphate Synthesis: Advancements through Automation and Sequential Learning Optimization</title>
    <abstract language="eng">Transition metal phosphates (TMPs) are extensively explored for electrochemical and catalytical applications due to their structural versatility and chemical stability. Within this material class, novel high-entropy metal phosphates (HEMPs)─containing multiple transition metals combined into a single-phase structure─are particularly promising, as their compositional complexity can significantly enhance functional properties. However, the discovery of suitable HEMP compositions is hindered by the vast compositional design space and complex or very specific synthesis conditions. Here, we present a data-driven strategy combining automated wet-chemical synthesis with a Sequential Learning App for Materials Discovery (SLAMD) framework (Random Forest regression model) to efficiently explore and optimize HEMP compositions. Using a limited set of initial experiments, we identified multimetal compositions in a single-phase crystalline solid. The model successfully predicted a novel Co0.3Ni0.3Fe0.2Cd0.1Mn0.1 phosphate octahydrate phase, validated experimentally, demonstrating the effectiveness of the machine learning approach. This work highlights the potential of integrating automated synthesis platforms with data-driven algorithms to accelerate the discovery of high-entropy materials, offering an efficient design pathway to advanced functional materials.</abstract>
    <parentTitle language="eng">Crystal Growth &amp; Design</parentTitle>
    <identifier type="issn">1528-7483</identifier>
    <identifier type="doi">10.1021/acs.cgd.5c00549</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-641554</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>
    <enrichment key="local_import_origin">crossref</enrichment>
    <enrichment key="opus.source">doi-import</enrichment>
    <enrichment key="date_peer_review">13.10.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stephanos Karafiludis</author>
    <author>Jacob Standl</author>
    <author>Tom W. Ryll</author>
    <author>Alexander Schwab</author>
    <author>Carsten Prinz</author>
    <author>Jakob B. Wolf</author>
    <author>Sabine Kruschwitz</author>
    <author>Franziska Emmerling</author>
    <author>Christoph Völker</author>
    <author>Tomasz M. Stawski</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Metal phosphates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High entropy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sequential learning</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Automated synthesis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MAP</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Random forest</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Machine learning</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
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  <doc>
    <id>64608</id>
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    <type>article</type>
    <publisherName>Royal Society of Chemistry (RSC)</publisherName>
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    <title language="eng">Moving mechanochemistry forward</title>
    <abstract language="eng">Arguably mechanochemistry is one of the oldest, and at the same time one of the newest, areas of chemistry. One of the oldest, because it has been theorized that early hominids were able to develop rapidly due to their ability to heat and mechanically process their food to make it easier to digest. Old, because the ancient Greeks knew that mechanically activating stones (consisting of cinnabar) with vinegar in a copper pestle and mortar caused them to convert into mercury. We might be forgiven for thinking that this could have led our alchemical forbears to wonder if there were other stones that might also be persuaded to convert into gold. Early chemical luminaries such as Michael Faraday and Wilhelm Röntgen dabbled in mechanochemistry. However, in the late 19th and early 20th centuries, the field developed separately in many areas. Perhaps most significantly, synthetic chemists realized that reactions could be carried out with surprisingly high yields and selectivities by shaking them in a ball mill, and that they could even make novel compounds that their colleagues just using heat were not able to. Physicists were mechanically rearranging atoms into new configurations (i.e., doing chemistry) using exotic means such as atomic force microscope tips and optical tweezers. Scientists and engineers studying the formation of lubricious and anti-wear films realized that they were mechanochemically formed. Biochemists found molecular motor proteins, such as myosin and kinesin, that were able to convert chemical energy into motion or, vice versa, mechanical energy into the biochemical energy storage molecule adenosine triphosphate. In 2023, this confluence of advances convinced the Royal Society of Chemistry that the time was ripe to establish a new journal dedicated to the field of mechanochemistry. It is rare that a journal has the privilege of helping to create a new sub-branch of chemistry but, having done so, it has the obligation of helping to define the field and, optimistically, suggesting how the field might develop. This editorial has two major goals. The first is to bring to the attention of the scientific community the challenges faced by the field to set people thinking about how they might contribute and, second, to form the basis for more thorough discussions in the future. The sub-topics below outline current thoughts brought forward from members of our editorial board. We lay out areas and topics here with the intent of establishing a new editorial series, which we invite the community to contribute to, and outline topics and hopefully lay out challenges, which will enable us as a community to come together to move mechanochemistry forward.</abstract>
    <parentTitle language="eng">RSC Mechanochemistry</parentTitle>
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    <identifier type="doi">10.1039/d4mr90021a</identifier>
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    <author>James Batteas</author>
    <author>Kerstin G. Blank</author>
    <author>Evelina Colacino</author>
    <author>Franziska Emmerling</author>
    <author>Tomislav Friščić</author>
    <author>James Mack</author>
    <author>Jeffrey Moore</author>
    <author>Maria Elena Rivas</author>
    <author>Wilfred Tysoe</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
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  <doc>
    <id>64609</id>
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    <publishedYear>2025</publishedYear>
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    <title language="eng">Modulating the crystalline forms of silver–sulfadiazine complexes by mechanochemistry</title>
    <abstract language="eng">Mechanochemical synthesis of pharmaceutical compounds has gained significant attention due to its potential to overcome traditional synthetic challenges while offering the possibility of improving the physicochemical properties of drugs. This study delves into the mechanochemical synthesis of silver sulfadiazine (AgSD) coordination compounds, obtained under different mechanochemical stress and processing conditions. The aim of this work was to investigate the influence of mechanochemical conditions on the selectivity in the preparation of AgSD coordination compounds. Through a series of experiments, we demonstrate the successful synthesis of two different AgSD coordination networks, using high-energy ball milling. By strategically manipulating the starting materials and milling parameters — including milling time, milling frequency, type of mechanical stress (as determined by different milling devices), and the presence of co-milling agents — we were able to control the product outcome. As a result, we achieved two different forms of silver-sulfadiazine metal frameworks, one of which was not previously disclosed. The crystal structure of the new form, obtained from high resolution PXRD synchrotron data, was compared with the previously known structure of a silver sulfadiazine compound. The in-depth antimicrobial activity systematic study of these AgSD forms on the generic systems showed increased antibacterial activity when compared to sulfadiazine. This research sheds light on the mechanochemical synthesis of silver sulfadiazine complexes. The obtained knowledge may guide the development of novel synthetic strategies for other drug molecules, leading to improved drug performance, stability, and therapeutic outcomes.</abstract>
    <parentTitle language="eng">CrystEngComm</parentTitle>
    <identifier type="issn">1466-8033</identifier>
    <identifier type="doi">10.1039/d5ce00572h</identifier>
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    <author>Daniela R. Ferreira</author>
    <author>Anaïs Portet</author>
    <author>Paula C. Alves</author>
    <author>Patrícia Rijo</author>
    <author>Clara S. B. Gomes</author>
    <author>M. Teresa Duarte</author>
    <author>Ivan Halasz</author>
    <author>Evelina Colacino</author>
    <author>Franziska Emmerling</author>
    <author>Vânia André</author>
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      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
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      <language>eng</language>
      <type>uncontrolled</type>
      <value>Structure solution</value>
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  <doc>
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    <publishedYear>2025</publishedYear>
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    <pageFirst>116</pageFirst>
    <pageLast>126</pageLast>
    <pageNumber/>
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    <issue>1</issue>
    <volume>2</volume>
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    <publisherPlace>Cambridge</publisherPlace>
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    <contributingCorporation/>
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    <title language="eng">Mechanochemical ZIF-9 formation: in situ analysis and photocatalytic enhancement evaluation</title>
    <abstract language="eng">Efficient treatment of persistent pollutants in wastewater is crucial for sustainable water management and environmental protection. This study addresses this challenge by investigating the mechanochemical synthesis and photocatalytic performance of ZIF-9, a cobalt-based zeolitic imidazolate framework. Using synchrotron-based powder X-ray diffraction, we provide real-time insights into the formation dynamics of ZIF-9 during mechanosynthesis. Our results show that mechanochemically synthesised ZIF-9 exhibits superior photocatalytic activity compared to its solvothermally prepared counterpart, achieving a 2-fold increase in methylene blue degradation rate. This research not only advances our understanding of the synthesis and properties of ZIF-9, but also demonstrates the potential of mechanochemical approaches in the development of high-performance, sustainably produced materials for water treatment and other environmental applications.</abstract>
    <parentTitle language="eng">RSC Mechanochemistry</parentTitle>
    <identifier type="issn">2976-8683</identifier>
    <identifier type="doi">10.1039/D4MR00114A</identifier>
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    <author>Noelia Rodríguez-Sánchez</author>
    <author>Carsten Prinz</author>
    <author>Ralf Bienert</author>
    <author>Menta Ballesteros</author>
    <author>A. Rabdel Ruiz Salvador</author>
    <author>Biswajit Bhattacharya</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MOFs</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ZIF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Time-resolved in situ investigation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photocatalysis  synchrotron X-ray powder diffraction</value>
    </subject>
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    <file>https://opus4.kobv.de/opus4-bam/files/64141/d4mr00114a.pdf</file>
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  <doc>
    <id>64610</id>
    <completedYear/>
    <publishedYear>2025</publishedYear>
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    <language>eng</language>
    <pageFirst>83</pageFirst>
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    <title language="eng">Efficient racemization of the pharmaceutical compound Levetiracetam using solvent-free mechanochemistry</title>
    <abstract language="eng">We present the racemization of an active pharmaceutical ingredient Levetiracetam using a novel approach. We demonstrate the design of a 100% solvent-free process that proceeds by high energy milling inside a regular mixer mill. The kinetics of the racemization process is drastically improved compared to the solution-based approach and illustrates the tremendous potential of mechanochemistry. In this study, we highlight the importance of mixing efficiency regarding data reproducibility, and we show, in particular, that water contamination has a negative impact on the reaction rate. Moreover, in situ X-ray diffraction gives us first insights into the mechanisms involved in the solid state during the mechanochemical racemization process.</abstract>
    <parentTitle language="eng">RSC Mechanochemistry</parentTitle>
    <identifier type="issn">2976-8683</identifier>
    <identifier type="doi">10.1039/d4mr00103f</identifier>
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    <author>Chrystal Lopes</author>
    <author>Lucia Casali</author>
    <author>Franziska Emmerling</author>
    <author>Tom Leyssens</author>
    <author>Valérie Dupray</author>
    <author>Clement Brandel</author>
    <author>Yohann Cartigny</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
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    <title language="eng">Deriving kinetic insights from mechanochemically synthesized compounds using multivariate analysis (MCR-ALS) of powder X-ray diffraction data</title>
    <abstract language="eng">Kinetics information on the progress of the mechanochemical reactions is key to their understanding and subsequent scale-up. For crystalline materials, the most robust and tested method for obtaining kinetic data is the Quantitative Phase Analysis (QPA) via Rietveld refinement. In this work, we tested the feasibility of the Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) method on powder X-ray diffraction (PXRD) data of mechanochemical processes by studying the system theophylline (TP) and malonic acid (MA) in a 1 : 1 stoichiometric ratio at different milling conditions. We have highlighted the strengths and weaknesses of the MCR-ALS method, and we demonstrated why it may be an alternative route to obtain quantitative information on mechanochemical kinetics.</abstract>
    <parentTitle language="eng">RSC Mechanochemistry</parentTitle>
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    <author>Laura Macchietti</author>
    <author>Lucia Casali</author>
    <author>Franziska Emmerling</author>
    <author>Dario Braga</author>
    <author>Fabrizia Grepioni</author>
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      <language>eng</language>
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      <value>Mechanochemistry</value>
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    <issue>49</issue>
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    <title language="eng">A Crystalline Bismuth(II) Radical Anion: Synthesis, Characterization, and Reactivity</title>
    <abstract language="eng">AbstractWe report the synthesis of a planarized tris‐amidobismuthane supported by a rigid, bulky NNN pincer ligand, which enforces a T‐shaped geometry at the bismuth center. The Bi(NNN) complex features a low‐lying LUMO with distinct Bi(6p) orbital character as shown by DFT calculations. Cyclic voltammetry reveals a fully reversible one‐electron reduction at E1/2 = –1.85 V versus Fc0/+ in THF. Chemical reduction with KC8 in the presence of 4,7,13,16,21,24‐hexaoxa‐1,10‐diazabicyclo[8.8.8]hexacosane (222‐crypt) enables the isolation of an unprecedented Bi(II) radical anion in high isolated yields. Multi‐frequency EPR, X‐ray absorption spectroscopy and SQUID magnetometry complemented by theoretical calculations confirm localization of the unpaired electron on the bismuth center. Preliminary reactivity studies display radical reactivity as shown by single‐electron transfer chemistry and radical coupling reactions.</abstract>
    <parentTitle language="eng">Angewandte Chemie International Edition</parentTitle>
    <identifier type="issn">1433-7851</identifier>
    <identifier type="doi">10.1002/anie.202515545</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-644143</identifier>
    <enrichment key="opus_doi_flag">true</enrichment>
    <enrichment key="local_crossrefDocumentType">journal-article</enrichment>
    <enrichment key="local_crossrefLicence">http://creativecommons.org/licenses/by/4.0/</enrichment>
    <enrichment key="local_import_origin">crossref</enrichment>
    <enrichment key="local_doiImportPopulated">PersonAuthorFirstName_1,PersonAuthorLastName_1,PersonAuthorIdentifierOrcid_1,PersonAuthorFirstName_2,PersonAuthorLastName_2,PersonAuthorIdentifierOrcid_2,PersonAuthorFirstName_3,PersonAuthorLastName_3,PersonAuthorIdentifierOrcid_3,PersonAuthorFirstName_4,PersonAuthorLastName_4,PersonAuthorIdentifierOrcid_4,PersonAuthorFirstName_5,PersonAuthorLastName_5,PersonAuthorIdentifierOrcid_5,PersonAuthorFirstName_6,PersonAuthorLastName_6,PersonAuthorIdentifierOrcid_6,PersonAuthorFirstName_7,PersonAuthorLastName_7,PersonAuthorIdentifierOrcid_7,PublisherName,TitleMain_1,Language,TitleAbstract_1,TitleParent_1,ArticleNumber,PublishedYear,IdentifierIssn,Enrichmentlocal_crossrefLicence</enrichment>
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    <enrichment key="date_peer_review">20.10.2025</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Sotirios Pavlidis</author>
    <author>Christian Teutloff</author>
    <author>Ana de Oliveira Guilherme Buzanich</author>
    <author>Konstantin B. Krause</author>
    <author>Franziska Emmerling</author>
    <author>Robert Bittl</author>
    <author>Josh Abbenseth</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Bi(III)</value>
    </subject>
    <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="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="">Advanced Materials</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/64414/Angewandte.pdf</file>
  </doc>
  <doc>
    <id>53209</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>9414</pageFirst>
    <pageLast>9421</pageLast>
    <pageNumber/>
    <edition/>
    <issue>36</issue>
    <volume>27</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">Tailored mobility in a zeolite imidazolate framework (ZIF) antibody conjugate</title>
    <abstract language="eng">Zeolitic imidazolate framework (ZIF) hybrid fluorescent nanoparticles and ZIF antibody conjugates have been synthesized, characterized, and employed in lateral-flow immunoassay (LFIA). The bright fluorescence of the conjugates and the possibility to tailor their mobility gives a huge potential for diagnostic assays. An enzyme-linked immunosorbent assay (ELISA) with horseradish peroxidase (HRP) as label, proved the integrity, stability, and dispersibility of the antibody conjugates, LC-MS/MS provided evidence that a covalent link was established between these metal-organic frameworks and lysine residues in IgG antibodies.</abstract>
    <parentTitle language="eng">Chemistry - a European journal</parentTitle>
    <identifier type="doi">10.1002/chem.202100803</identifier>
    <identifier type="issn">0947-6539</identifier>
    <identifier type="issn">1521-3765</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-532096</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="RelatedIdentifier">https://doi.org/10.26434/chemrxiv.13048028.v1</enrichment>
    <enrichment key="date_peer_review">22.09.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Ander Chapartegui-Arias</author>
    <author>A. Raysyan</author>
    <author>A. M. Belenguer</author>
    <author>Carsten Jaeger</author>
    <author>Teodor Tchipilov</author>
    <author>Carsten Prinz</author>
    <author>Carlos Enrique Abad Andrade</author>
    <author>S. Beyer</author>
    <author>Rudolf Schneider</author>
    <author>Franziska Emmerling</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ZIF</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>ELISA</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="">1.5 Proteinanalytik</collection>
    <collection role="institutes" number="">1.6 Anorganische Referenzmaterialien und Gasanalytik</collection>
    <collection role="institutes" number="">1.8 Umweltanalytik</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>
    <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/53209/10_1002_chem_202100803_article.pdf</file>
    <file>https://opus4.kobv.de/opus4-bam/files/53209/10_1002_chem_202100803_supporting_information.pdf</file>
  </doc>
  <doc>
    <id>53715</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>5792</pageFirst>
    <pageLast>5799</pageLast>
    <pageNumber/>
    <edition/>
    <issue>10</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">Facilitating Nitrification Inhibition through Green, Mechanochemical Synthesis of a Novel Nitrapyrin Complex</title>
    <abstract language="eng">Nitrapyrin (NP) is applied to cultivated soils to inhibit the enzymatic activity of ammonia monooxygenase (AMO), but its poor aqueous solubility and high volatility severely limit its application. β-Cyclodextrin (β-CD) is commonly used to form inclusion complexes with hydrophobic molecules, improving water solubility and stability upon complexation. Here we report on the mechanochemical synthesis of the inclusion complex β-CD·NP, characterized via a combination of solid-state techniques, including exsitu and in situ X-ray diffraction, Raman and NMR spectroscopies, transmission electron microscopy, and energy dispersive X-ray spectroscopy. The pure inhibitor NP was also structurally characterized. The β-CD·NP complex presents improved solubility and thermal stability, and still inhibits the enzymatic activity of AMO with high efficacy. All results indicate that the inclusion of NP into β-CD represents a viable route for the preparation of a novel class of inhibitors, with improved properties related to stability, water solubility, and good inhibition activity.</abstract>
    <parentTitle language="eng">Crystal Growth and Design</parentTitle>
    <identifier type="doi">10.1021/acs.cgd.1c00681</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-537154</identifier>
    <identifier type="issn">1528-7505</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">10.11.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>L. Casali</author>
    <author>V. Broll</author>
    <author>S. Ciurili</author>
    <author>D. Braga</author>
    <author>Franziska Emmerling</author>
    <author>F. Gepioni</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Mechanochemistry</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nitrification</value>
    </subject>
    <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="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/53715/Facilitating Nitrification Inhibition through Green.pdf</file>
  </doc>
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