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  <doc>
    <id>57134</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>23</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>preprint</type>
    <publisherName>Cornell University</publisherName>
    <publisherPlace>Ithaca, NY</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">The human factor - Results of a small-angle scattering data analysis round robin</title>
    <abstract language="eng">A Round Robin study has been carried out to estimate the impact of the human element in small-angle scattering data analysis. Four corrected datasets were provided to participants ready for analysis. All datasets were measured on samples containing spherical scatterers, with two datasets in dilute dispersions, and two from powders.&#13;
&#13;
Most of the 46 participants correctly identified the number of populations in the dilute dispersions, with half of the population mean entries within 1.5 % and half of the population width entries within 40 %, respectively. Due to the added complexity of the structure factor, much fewer people submitted answers on the powder datasets.&#13;
&#13;
For those that did, half of the entries for the means and widths were within 44 % and 86 % respectively. This Round Robin experiment highlights several causes for the discrepancies, for which solutions are proposed.</abstract>
    <parentTitle language="eng">arXiv.org</parentTitle>
    <identifier type="doi">10.48550/arXiv.2303.03772</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-571342</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="RelatedIdentifier">https://nbn-resolving.org/urn:nbn:de:kobv:b43-587091</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Brian Richard Pauw</author>
    <author>Glen Jacob Smales</author>
    <author>A. S. Anker</author>
    <author>D. M. Balazs</author>
    <author>F. L. Beyer</author>
    <author>Ralf Bienert</author>
    <author>W. G. Bouwman</author>
    <author>Ingo Breßler</author>
    <author>J. Breternitz</author>
    <author>E. S. Brok</author>
    <author>G. Bryant</author>
    <author>A. J. Clulow</author>
    <author>E. R. Crater</author>
    <author>F. De Geuser</author>
    <author>A. D. Giudice</author>
    <author>J. Deumer</author>
    <author>S. Disch</author>
    <author>S. Dutt</author>
    <author>K. Frank</author>
    <author>E. Fratini</author>
    <author>E. P. Gilbert</author>
    <author>Marc Benjamin Hahn</author>
    <author>J. Hallett</author>
    <author>Max Hohenschutz</author>
    <author>M. J. Hollamby</author>
    <author>S. Huband</author>
    <author>J. Ilavsky</author>
    <author>J. K. Jochum</author>
    <author>M. Juelsholt</author>
    <author>B. W. Mansel</author>
    <author>P. Penttilä</author>
    <author>R. K. Pittkowski</author>
    <author>G. Portale</author>
    <author>L. D. Pozzo</author>
    <author>P. Ricardo de Abreu Furtado Garcia</author>
    <author>L. Rochels</author>
    <author>Julian Rosalie</author>
    <author>P. E. J. Saloga</author>
    <author>S. Seibt</author>
    <author>A. J. Smith</author>
    <author>G. N. Smith</author>
    <author>V. Annadurai</author>
    <author>G. A. Spiering</author>
    <author>Tomasz Stawski</author>
    <author>O. Taché</author>
    <author>Andreas Thünemann</author>
    <author>K. Toth</author>
    <author>A. E. Whitten</author>
    <author>J. Wuttke</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Round robin</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Sall-angle scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanostructure quantification</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanostructure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>MOUSE</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>X-ray scattering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Size distribution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
    <collection role="institutes" number="">5.1 Mikrostruktur Design und Degradation</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.3 Strukturanalytik</collection>
    <collection role="institutes" number="">6.5 Synthese und Streuverfahren nanostrukturierter Materialien</collection>
    <collection role="institutes" number="">6.6 Digitale Materialchemie</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="literaturgattung" number="">Graue Literatur</collection>
    <collection role="themenfelder" number="">Advanced Materials</collection>
    <collection role="unnumberedseries" number="">Preprints der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/57134/2303.03772.pdf</file>
  </doc>
  <doc>
    <id>50288</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>724</pageFirst>
    <pageLast>733</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>3</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Environmental impact of ZnO nanoparticles evaluated by in vitro simulated digestion</title>
    <abstract language="eng">ZnO nanoparticles are found in different food and consumer products, and their toxicological effects are still under investigation. It is therefore important to understand their behavior in the gastrointestinal tract. Here, we used an in vitro model to assess the physicochemical fate of ZnO nanoparticles during the digestive process in artificial saliva, stomach juice, and intestinal juice. Atomic absorption spectrometry and small-angle X-ray scattering were employed to investigate two ZnO nanomaterials, one intensively characterized reference material and soluble ZnCl2 in a broad range of concentrations between 25 and 1000 μg/mL in the intestinal fluid. Because food components may influence the behavior of nanomaterials in the gastrointestinal tract, starch, milk powder, and olive oil were used to mimic carbohydrates, protein, and fat, respectively. Additionally, ion release of all Zn species was assessed in cell culture media and compared to artificial intestinal juice to investigate relevance of typical cell culture conditions in ZnO nanotoxicology. ZnCl2 as well as the ZnO species were present as particles in artificial saliva but were solubilized completely in the acidic stomach juice. Interestingly, in the intestinal fluid a concentration-independent de novo formation of particles in the nanoscale range was shown. This was the case for all particles as well as for ZnCl2, regardless of the concentration used. Neither of the food components affected the behavior of any Zn species. On the contrary, all Zn species showed a Zn-concentration-dependent ion release in common cell culture medium. This questions the suitability of cell culture studies to investigate the effect of ZnO nanoparticles on intestinal cells. Our results show that Zn-containing nanoparticles reach the intestine. This underlines the importance of determining the influence of the test environment on nanoparticle fate.</abstract>
    <parentTitle language="eng">ACS Applied Nano Materials</parentTitle>
    <identifier type="doi">10.1021/acsanm.9b02236</identifier>
    <enrichment key="date_peer_review">05.03.2020</enrichment>
    <enrichment key="RelatedIdentifier">https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/50812</enrichment>
    <author>L. Voss</author>
    <author>Patrick E. J. Saloga</author>
    <author>V. Stock</author>
    <author>L. Böhmert</author>
    <author>A. Braeuning</author>
    <author>Andreas Thünemann</author>
    <author>A. Lampen</author>
    <author>H. Sieg</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Digestion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zinc oxide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.5 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="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>49135</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>poster</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">In-situ SAXS/WAXS investigation of zinc oxide nanotube formation</title>
    <abstract language="eng">Zinc oxide nanostructures possess optical properties that are dependent on particle shape and size. Here, we report on the synthesis of elongated zinc oxide tubes via the in-situ aggregation of spherical particles. Using a custom-built, lab-based instrument, x-ray scattering can be investigated over more than three decades in scattering vector q, allowing for a complete investigation from atomic distances up to larger-than-nano structures.&#13;
For this study, the hydrolytic synthesis of stearate stabilized zinc oxide nanostructures in tetrahydrofuran was performed and the reaction mixture was continuously fed through the SAXS/WAXS apparatus by means of a peristaltic pump. For comparison to nanospheres, oleate-functionalized zinc oxide particles were synthesized in a microwave-assisted fashion, and depending on reaction temperature, sphere radii could be adjusted between 2.6 and 3.8 nm, changing the optical and crystal lattice properties.&#13;
The evaluation of the in-situ measurements showed that at the beginning of the synthesis of the stearate-stabilized zinc oxide, similar, spherical particles are formed as in the oleate-based synthesis. In contrast, as the reaction progresses, the stearate-capped particles aggregate into elongated rods with radii of a few nanometres, which eventually form the nanotubes. These have radii of 30-50 nm and lengths of several hundred nanometres. Nevertheless, these structures still possess optical properties like the ultra-small zinc oxide spheres, i.e. a bright, yellow fluorescence. Therefore, we assume that the originally formed, ultra-small spheres, are still present within the tube structure, but separated by stearate, and thus determine their fluorescence properties.</abstract>
    <enrichment key="eventName">SAXS excites</enrichment>
    <enrichment key="eventPlace">Graz, Austria</enrichment>
    <enrichment key="eventStart">24.09.2019</enrichment>
    <enrichment key="eventEnd">25.09.2019</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Patrick E. J. Saloga</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zinc oxide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>49136</id>
    <completedYear/>
    <publishedYear>2019</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>12469</pageFirst>
    <pageLast>12482</pageLast>
    <pageNumber/>
    <edition/>
    <issue>38</issue>
    <volume>35</volume>
    <type>article</type>
    <publisherName>American Chemical Society</publisherName>
    <publisherPlace>Washington, D.C., USA</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Microwave-Assisted Synthesis of Ultrasmall Zinc Oxide Nanoparticles</title>
    <abstract language="eng">We report on ultrasmall zinc oxide single-crystalline nanoparticles of narrow size distribution and long-term colloidal stability. These oleate-stabilized nanoparticles were synthesized using microwave-assisted synthesis for 5 min, corresponding to a 99% decrease in synthesis time, when compared to the conventional synthesis method. It was observed that the average particle radius increases from 2.6 ± 0.1 to 3.8 ± 0.1 nm upon increasing synthesis temperature from 125 to 200 °C. This change also corresponded to observed changes in the optical band gap and the fluorescence energy of the particles, from 3.44 ± 0.01 to 3.36 ± 0.01 eV and from 2.20 ± 0.01 to 2.04 ± 0.01 eV, respectively. Small-angle X-ray scattering, dynamic light scattering, and UV–vis and fluorescence spectroscopy were employed for particle characterization. Debye–Scherrer analysis of the X-ray diffraction (XRD) pattern reveals a linear increase of the crystallite size with synthesis temperature. The consideration of the convolution of a Lorentz function with a Gaussian function for data correction of the instrumental peak broadening has a considerable influence on the values for the crystallite size. Williamson–Hall XRD analyses in the form of the uniform deformation model, uniform stress deformation model, and uniform deformation energy density model revealed a substantial increase of strain, stress, and deformation energy density of the crystallites with decreasing size. Exponential and power law models were utilized for quantification of strain, stress, and deformation energy density.</abstract>
    <parentTitle language="eng">Langmuir</parentTitle>
    <identifier type="doi">10.1021/acs.langmuir.9b01921</identifier>
    <identifier type="issn">0743-7463</identifier>
    <enrichment key="date_peer_review">10.10.2019</enrichment>
    <author>Patrick E. J. Saloga</author>
    <author>Andreas Thünemann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SAXS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Zinc oxide</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microwave synthesis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanoparticles</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
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