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  <doc>
    <id>51535</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>103</pageFirst>
    <pageLast>115</pageLast>
    <pageNumber/>
    <edition/>
    <issue>28</issue>
    <volume>413</volume>
    <type>article</type>
    <publisherName>Springer</publisherName>
    <publisherPlace>Berlin</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Determination of organically bound fluorine sum parameters in river water samples - Comparison of combustion ion chromatography (CIC) and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS)</title>
    <abstract language="eng">In this study, we compare combustion ion chromatography (CIC) and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) with respect to their applicability for determining organically Bound fluorine sum parameters. Extractable (EOF) and adsorbable (AOF) organically bound fluorine as well as total fluorine (TF) were measured in samples fromriver Spree in Berlin, Germany, to reveal the advantages and disadvantages of the two techniques used as well as the two established fluorine sum Parameters AOF and EOF. TF concentrations determined via HR-CS-GFMAS and CIC were comparable between 148 and 270 μg/L. On average, AOF concentrations were higher than EOF concentrations, with AOF making up 0.14–0.81% of TF (determined using CIC) and EOF 0.04–0.28% of TF (determined using HR-CSGFMAS).&#13;
The results obtained by the two independent methods were in good agreement. It turned out that HR-CS-GFMAS is a more sensitive and precise method for fluorine analysis compared to CIC. EOF and AOF are comparable tools in Risk evaluation for the emerging pollutants per- and polyfluorinated alkyl substances; however, EOF is much faster to conduct.</abstract>
    <parentTitle language="eng">Analytical and bioanalytical chemistry</parentTitle>
    <identifier type="doi">10.1007/s00216-020-03010-y</identifier>
    <identifier type="issn">1618-2650</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-515351</identifier>
    <enrichment key="date_peer_review">16.11.2020</enrichment>
    <enrichment key="RelatedIdentifier">https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/53453</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Lennart Gehrenkemper</author>
    <author>Fabian Simon</author>
    <author>Philipp Roesch</author>
    <author>E. Fischer</author>
    <author>Marcus von der Au</author>
    <author>Jens Pfeifer</author>
    <author>Antje Cossmer</author>
    <author>Philipp Wittwer</author>
    <author>Christian Vogel</author>
    <author>Franz-Georg Simon</author>
    <author>Björn Meermann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Combustion ion chromatography (CIC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Per- and polyfluorinated alkyl substances (PFASs)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Adsorbable organically bound fluorine (AOF)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Extractable organically bound fluorine (EOF)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Surface waters</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</collection>
    <collection role="institutes" number="">4 Material und Umwelt</collection>
    <collection role="institutes" number="">4.4 Thermochemische Reststoffbehandlung und Wertstoffrückgewinnung</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/51535/10_1007_s00216-020-03010-y.pdf</file>
  </doc>
  <doc>
    <id>53453</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>corrigendum</type>
    <publisherName>Springer</publisherName>
    <publisherPlace>Berlin</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Correction to: Determination of organically bound fluorine sum parameters in river water samples - Comparison of combustion ion chromatography (CIC) and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS)</title>
    <abstract language="eng">The article “Determination of organically bound fluorine sum parameters in river water samples - Comparison of combustion ion chromatography (CIC) and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS)” was originally published Online First without Open Access. After publication in volume 413, issue 1, page 103–115 of the journal “Analytical and bioanalytical chemistry”, the authors decided to opt for Open Choice and to make the article an Open Access publication. Therefore, the copyright of the article has been changed to © The Author(s) 2021 and the article is forthwith distributed under the terms of the Creative Commons Attribution 4.0 International License.</abstract>
    <parentTitle language="eng">Analytical and bioanalytical chemistry</parentTitle>
    <identifier type="doi">10.1007/s00216-021-03675-z</identifier>
    <identifier type="issn">1618-2650</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="RelatedIdentifier">https://nbn-resolving.org/urn:nbn:de:kobv:b43-515351</enrichment>
    <author>Lennart Gehrenkemper</author>
    <author>Fabian Simon</author>
    <author>Philipp Roesch</author>
    <author>E. Fischer</author>
    <author>Marcus von der Au</author>
    <author>Jens Pfeifer</author>
    <author>Antje Cossmer</author>
    <author>Philipp Wittwer</author>
    <author>Christian Vogel</author>
    <author>Franz-Georg Simon</author>
    <author>Björn Meermann</author>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>52432</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>7434</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>20</issue>
    <volume>23</volume>
    <type>article</type>
    <publisherName>Wiley‐VCH GmbH</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A Generalized Method for High-Speed Fluorination of Metal Oxides by Spark Plasma Sintering Yields Ta3O7F and TaO2F with High Photocatalytic Activity for Oxygen Evolution from Water</title>
    <abstract language="eng">A general method to carry out the fluorination of metal oxides with poly(tetrafluoroethylene) (PTFE, Teflon) waste by spark plasma sintering (SPS) on a minute scale with Teflon is reported. The potential of this new approach is highlighted by the following results. i) The tantalum oxyfluorides Ta3O7F and TaO2F are obtained from plastic scrap without using toxic or caustic chemicals for fluorination. ii) Short reaction times (minutes rather than days) reduce the process time the energy costs by almost three orders of magnitude. iii) The oxyfluorides Ta3O7F and TaO2F are produced in gram amounts of nanoparticles. Their synthesis can be upscaled to the kg range with industrial sintering equipment. iv) SPS processing changes the catalytic properties: while conventionally prepared Ta3O7F and TaO2F show little catalytic activity, SPS-prepared Ta3O7F and TaO2F exhibit high activity for photocatalytic oxygen evolution, reaching photoconversion efficiencies up to 24.7% and applied bias to photoconversion values of 0.86%. This study shows that the materials properties are dictated by the processing which poses new challenges to understand and predict the underlying factors.</abstract>
    <parentTitle language="eng">Advanced Materials</parentTitle>
    <identifier type="doi">10.1002/adma.202007434</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-524329</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">19.04.2021</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>M. A. Lange</author>
    <author>I. Khan</author>
    <author>P. Opitz</author>
    <author>J: Hartmann</author>
    <author>M. Ashraf</author>
    <author>A. Qurashi</author>
    <author>L. Prädel</author>
    <author>M. Panthöfer</author>
    <author>Antje Cossmer</author>
    <author>Jens Pfeifer</author>
    <author>Fabian Simon</author>
    <author>Marcus von der Au</author>
    <author>Björn Meermann</author>
    <author>M. Mondeshki</author>
    <author>M. N. Tahir</author>
    <author>W. Tremel</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fluorination</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Oxygen evolution reaction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Photocatalysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Spark plasma sintering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Tantalum oxyfluorides</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</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/52432/Advanced Materials 2021.pdf</file>
  </doc>
  <doc>
    <id>52261</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst>was.00080223, 2</pageFirst>
    <pageLast>4</pageLast>
    <pageNumber/>
    <edition/>
    <issue>März</issue>
    <volume>2021</volume>
    <type>article</type>
    <publisherName>Wiley-VCH</publisherName>
    <publisherPlace>Weinheim</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">PFAS-Summenparameteranalytik - Neue analytische Methoden zum Nachweis von per- und polyfluorierten Verbindungen in der Umwelt</title>
    <abstract language="deu">Per- und polyfluorierte Alkylverbindungen (PFAS) sind sehr persistent und reichern sich in der Umwelt und im menschlichen Organismus in immer höheren Konzentrationen an. PFAS stellen deshalb eine große Gefährdung für Mensch und Umwelt dar. Eingesetzt werden sie u. a. als wasser- und fettabweisende Beschichtung in z. B. der Papier- und Textilindustrie und gelangen so während Produktion, Gebrauch und Entsorgung u. a. in den Wasserkreislauf. PFAS konnten sogar in der arktischen Umwelt in relevanten Konzentrationen detektiert werden und zählen somit zu den „emerging pollutants“. Ein prominenter Vertreter der PFAS stellt Perfluoroctansulfonsäure (PFOS) dar - die jedoch bereits im Anhang des Stockholmer Abkommen gelistet wurde und deren Einsatz somit stark eingeschränkt bzw. verboten ist. Im Hinblick auf die Vielzahl von Verbindungen werden neue analytische Methoden benötigt, die eine PFAS-Belastungssituation möglichst umfassend und nachweisstark widerspiegeln, um zukünftig mögliche Grenzwerte ableiten zu können.</abstract>
    <parentTitle language="deu">GIT - Labor-Fachzeitschrift</parentTitle>
    <identifier type="url">https://analyticalscience.wiley.com/do/10.1002/was.00080223</identifier>
    <identifier type="issn">0016-3538</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Lennart Gehrenkemper</author>
    <author>Fabian Simon</author>
    <author>Björn Meermann</author>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>PFAS</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>HR-CS-GFMAS</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>CIC</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Fluor</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Oberflächenwasser</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>54359</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>9</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>295</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A fast and simple PFAS extraction method utilizing HR–CS–GFMAS for soil samples</title>
    <abstract language="eng">Here, we describe an optimized fast and simple extraction method for the determination of per- and polyfluorinated alkyl substances (PFASs) in soils utilizing high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR–CS–GFMAS). To omit the bias of the solid phase extraction (SPE) step commonly used during the analysis of extractable organically bound fluorine (EOF) we optimized a fast and simple SPE-free extraction method. The developed extraction method consists of a liquid-solid extraction using acidified methanol without any additional SPE. Four extraction steps were representative to determine a high proportion of the EOF (&gt;80% of eight extractions). Comparison of the optimized method with and without an additional SPE clean-up step revealed a drastic underestimation of EOF concentrations using SPE. Differences of up to 94% were observed which were not explainable by coextracted inorganic fluoride. Therefore, not only a more accurate but also a more economic as well as ecologic method (bypassing of unnecessary SPE) was developed. The procedural limit of quantification (LOQ) of the developed method was 10.30 μg/kg which was sufficient for quantifying EOF concentrations in all tested samples. For future PFAS monitoring and potential regulative decisions the herein presented optimized extraction method can offer a valuable contribution.</abstract>
    <parentTitle language="eng">Chemosphere</parentTitle>
    <identifier type="doi">10.1016/j.chemosphere.2022.133922</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">17.02.2022</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Fabian Simon</author>
    <author>Lennart Gehrenkemper</author>
    <author>Marcus von der Au</author>
    <author>Phillip Wittwer</author>
    <author>Philipp Roesch</author>
    <author>Jens Pfeifer</author>
    <author>Antje Cossmer</author>
    <author>Björn Meermann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Per- and polyfluorinated alkly substances (PFASs)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Soils</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solid phase extraction (SPE)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Extractable organically bound fluorine (EOF)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Solid-liquid extraction</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</collection>
    <collection role="institutes" number="">4 Material und Umwelt</collection>
    <collection role="institutes" number="">4.4 Thermochemische Reststoffbehandlung und Wertstoffrückgewinnung</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 im Netzwerk der BAM verfügbar ("Closed Access")</collection>
  </doc>
  <doc>
    <id>54417</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst>12</pageFirst>
    <pageLast>15</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>28</volume>
    <type>article</type>
    <publisherName>Gesellschaft Deutscher Chemiker</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">Schnelle und einfache Extraktion von PFAS aus Bodenproben: Optimierte EOF-Bestimmung mittels HR-CS-GFMAS</title>
    <abstract language="deu">Per- und polyfluorierte Alkylsubstanzen (PFAS) bilden eine sehr komplexe Schadstoffgruppe mit über 6300 Einzelsubstanzen, die in vielfältiger Form in die Umwelt eingetragen werden. Für ein effektives Monitoring dieser Schadstoffklasse benötigt es ein Zusammenspiel aus Summenparameter-Analytik zur hot-spot-Identifizierung und Klassifizierung von Belastungssituationen sowie einer nachgeschalteten target-Analytik zur Identifizierung von Eintragswegen, die zugleich ein tieferes Verständnis von Transformationsprozessen ermöglicht. In diesem Beitrag präsentieren wir eine optimierte Extraktions-Methode für die PFAS-Summenparameteranalytik. Mit Hilfe dieser können bisher verwendete zeit- und kostenintensive Festphasenextraktionen (SPE) umgangen und PFAS-Extraktionseffizienzen gesteigert werden. Die methodische Bestimmungsgrenze (LOQ) war mit 10,30 μg/kg (Fluor pro Bodenprobe) ausreichend für alle 9 untersuchten Realbodenproben.</abstract>
    <parentTitle language="deu">Mitteilungen der Fachgruppe Umweltchemie und Ökotoxikologie</parentTitle>
    <identifier type="issn">1618-3258</identifier>
    <identifier type="url">https://www.gdch.de/fileadmin/downloads/Netzwerk_und_Strukturen/Fachgruppen/Umweltchemie_Oekotoxikologie/mblatt/2022/Heft122.pdf</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Lennart Gehrenkemper</author>
    <author>Fabian Simon</author>
    <author>Björn Meermann</author>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS)</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>PFAS</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Per- and polyfluorinated alkyl substances (PFASs)</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Extractable organically bound fluorine (EOF)</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Solid-liquid extraction</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Böden</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="ddc" number="628">Sanitär- und Kommunaltechnik; Umwelttechnik</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</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="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Graue Literatur</collection>
  </doc>
  <doc>
    <id>57544</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst>1</pageFirst>
    <pageLast>6</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>5</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">Analyse von PFAS mittels (Non-)Target HRMS, dTOPA und EOF in Schwebstoff-Proben aus Zeitreihen der Umweltprobenbank</title>
    <abstract language="deu">Per- und polyfluorierte Alkylverbindungen (PFAS) sind eine Substanzklasse bestehend aus mehreren tausenden Einzelverbindungen. Unter PFAS zählen alle Verbindungen, die mindestens eine perfluorierte Methyl- (-CF3) oder Methylen-Gruppe (-CF2-) besitzen. Somit zählt auch ein großer Teil der fluorierten Medikamente, Pflanzenschutzmittel oder Biozide in die PFAS-Substanzklasse. Aufgrund der Persistenz, Bioakkumulation in Nahrungsketten, Toxizität und der ubiquitären Verbreitung von PFAS zählen sie zu den „emerging pollutants“. Die PFAS-Analytik ist wegen ihrer vielfältigen physikalisch-chemischen Eigenschaften und der sehr hohen Anzahl an PFAS eine große Herausforderung. Da es für viele Anwendungen noch ungewiss ist, welche PFAS verwendet werden, wie sie in die Umwelt gelangen und welche Transformations- bzw. Abbauprodukte entstehen, stoßen analytische Ansätze, die nur auf Einzelsubstanzen abzielen, hier an ihre Grenzen. PFAS-Summenparameter-Methoden, die darauf abzielen ein möglichst vollständiges Abbild der PFAS-Belastungssituation widerzuspiegeln, werden daher immer wichtiger.</abstract>
    <parentTitle language="deu">gwf Wasser|Abwasser</parentTitle>
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    <author>Fabian Simon</author>
    <author>Lennart Gehrenkemper</author>
    <author>G. Dierckes</author>
    <author>B. Göckener</author>
    <author>J. Koschorreck</author>
    <author>Björn Meermann</author>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>PFAS</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>HR-CS-GFMAS</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Fluorine</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>SPM</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>LC-MS/MS</value>
    </subject>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Schwebstoffe</value>
    </subject>
    <collection role="ddc" number="543">Analytische Chemie</collection>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
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  </doc>
  <doc>
    <id>58034</id>
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    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1195</pageFirst>
    <pageLast>1204</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>415</volume>
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    <contributingCorporation/>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">EOF and target PFAS analysis in surface waters affected by sewage treatment effluents in Berlin, Germany</title>
    <abstract language="eng">Per- and polyfuoroalkyl substances (PFAS) are emerging organic pollutants and can occur in surface and groundwater. To identify the degree of pollution in surface water with PFAS, often targeted HPLC–ESI–MS/MS has been employed in which commonly 30–40 compounds are analyzed. However, other PFAS and organofuorines remain undetected. We sampled surface water of the river Spree and the Teltow Canal in Berlin, Germany, which are afected by the efuent discharge of wastewater treatment plants. Here, we employed high-resolution continuum source graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) for measuring extractable organofuorines (EOF) and compared in a mass balance approach the total fuorine to the identifed and quantifed PFAS from the targeted analysis. The analysis highlights that the EOF are in the range expected for an urban river system (Winchell et al. in Sci Total Environ 774, 2021). However, downstream of an efuent discharge, the EOF increased by one order of magnitude, e.g., 40.3 to 574 ng F L−1, along the Teltow Canal. From our target analytes, mostly short-chained perfuorinated carboxylic acids and sulfonates occur in the water, which however makes up less than 10% of the EOF. The increase in EOF in the Teltow Canal correlates well with the increase of perfuorohexanoic acid (PFHxA), indicating that PFHxA is characteristic for the discharged EOF but not responsible for the increase. Hence, it points to PFHxA precursor discharge. The study highlights that EOF screening using HR-CS-GFMAS is necessary to identify the full scale of pollution with regard to PFAS and other organofuorines such as pharmaceutical compounds from the efuent of WWTPs.</abstract>
    <parentTitle language="eng">Journal of Analytical Atomic Spectrometry</parentTitle>
    <identifier type="doi">10.1007/s00216-022-04500-x</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-580341</identifier>
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    <enrichment key="date_peer_review">07.08.2023</enrichment>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>T. Nxumalo</author>
    <author>A. Akhdhar</author>
    <author>V. Mueller</author>
    <author>Fabian Simon</author>
    <author>Marcus von der Au</author>
    <author>Antje Cossmer</author>
    <author>Jens Pfeifer</author>
    <author>E. Krupp</author>
    <author>Björn Meermann</author>
    <author>A. Kindness</author>
    <author>J. Feldmann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PFAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>WWTP</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>GF-MAS</value>
    </subject>
    <collection role="institutes" number="">1 Analytische Chemie; Referenzmaterialien</collection>
    <collection role="institutes" number="">1.1 Anorganische Spurenanalytik</collection>
    <collection role="themenfelder" number="">Umwelt</collection>
    <collection role="themenfelder" number="">Chemie und Prozesstechnik</collection>
    <collection role="themenfelder" number="">Chemische Charakterisierung und Spurenanalytik</collection>
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    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
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  <doc>
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    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>13</pageLast>
    <pageNumber/>
    <edition/>
    <issue>104</issue>
    <volume>35</volume>
    <type>article</type>
    <publisherName>Springer Science and Business Media LLC</publisherName>
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    <title language="eng">Investigating the uptake and fate of per- and polyfluoroalkylated substances (PFAS) in bean plants (Phaseolus vulgaris): comparison between target MS and sum parameter analysis via HR-CS-GFMAS</title>
    <abstract language="eng">AbstractIn this study, we present a screening method based on molecular absorption spectrometry to study PFAS uptake and fate in plants. To evaluate the suitability of this method we analyzed plant extracts with molecular absorption spectrometry (MAS) as well as liquid chromatography–tandem mass spectrometry (LC–MS/MS) for mass balance studies (w(F)). French bean plants (Phaseolus vulgaris) were grown on soil spiked using eight PFAS substances that vary in chain length and functional group composition. Specifically, these include three short-chained (C4–C5), five long-chained (C7–C10) carboxylic acids, one sulfonic acid and one sulfonic amide moieties. To investigate substance-specific PFAS uptake systematically, PFAS were spiked as single substance spike. Additionally, we studied one mixture of the investigated substances in equal proportions regarding w(F) and four PFAS mixtures of unknown composition. After 6 weeks, the plants were separated into four compartments. We analyzed the four compartments as well as the soil for extractable organically bound fluorine (EOF) by high resolution-continuum source-graphite furnace-molecular absorption spectrometry (HR-CS-GFMAS) as well as for sum of ten target-PFAS by LC–MS/MS. All three short-chained PFAS perfluorobutanoic acid (PFBA), perfluorobutanoic sulfonic acid (PFBS) and perfluoropentanoic acid (PFPeA) were determined in high concentrations mainly in the fruits of the investigated plants while long-chained PFAS perfluorononanoic acid (PFNA) and perfluorodecanoic acid (PFDA) were mainly determined in roots. PFBS was determined in remarkably high concentrations in leaves compartment by both quantification methods. Overall, comprehensive results of single substance spikes were in good agreement for both methods except for a few cases. Hence, two phenomena were identified: for mixed PFAS spikes of unknown composition huge differences between EOF and sum of target PFAS were observed with systematically higher EOF values. Overall, both methods indicate comparable results with MS being more reliable for known PFAS contamination and MAS being more valuable to identify PFAS exposure of unknown composition.&#13;
 Graphical Abstract</abstract>
    <parentTitle language="eng">Environmental Sciences Europe</parentTitle>
    <identifier type="doi">10.1186/s12302-023-00811-7</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-589394</identifier>
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To evaluate the suitability of this method we analyzed plant extracts with molecular absorption spectrometry (MAS) as well as liquid chromatography\u2013tandem mass spectrometry (LC\u2013MS\/MS) for mass balance studies (&lt;jats:italic&gt;w&lt;\/jats:italic&gt;(&lt;jats:italic&gt;F&lt;\/jats:italic&gt;)). French bean plants (&lt;jats:italic&gt;Phaseolus vulgaris&lt;\/jats:italic&gt;) were grown on soil spiked using eight PFAS substances that vary in chain length and functional group composition. Specifically, these include three short-chained (C4\u2013C5), five long-chained (C7\u2013C10) carboxylic acids, one sulfonic acid and one sulfonic amide moieties. To investigate substance-specific PFAS uptake systematically, PFAS were spiked as single substance spike. Additionally, we studied one mixture of the investigated substances in equal proportions regarding &lt;jats:italic&gt;w&lt;\/jats:italic&gt;(&lt;jats:italic&gt;F&lt;\/jats:italic&gt;) and four PFAS mixtures of unknown composition. After 6\u00a0weeks, the plants were separated into four compartments. We analyzed the four compartments as well as the soil for extractable organically bound fluorine (EOF) by high resolution-continuum source-graphite furnace-molecular absorption spectrometry (HR-CS-GFMAS) as well as for sum of ten target-PFAS by LC\u2013MS\/MS. All three short-chained PFAS perfluorobutanoic acid (PFBA), perfluorobutanoic sulfonic acid (PFBS) and perfluoropentanoic acid (PFPeA) were determined in high concentrations mainly in the fruits of the investigated plants while long-chained PFAS perfluorononanoic acid (PFNA) and perfluorodecanoic acid (PFDA) were mainly determined in roots. 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    <author>Lennart Gehrenkemper</author>
    <author>Isabel Rühl</author>
    <author>Tanja Westphalen</author>
    <author>Fabian Simon</author>
    <author>Marcus von der Au</author>
    <author>Antje Cossmer</author>
    <author>Björn Meermann</author>
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      <value>Pollution</value>
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    <title language="eng">Quantification and characterization of PFASs in suspended particulate matter (SPM) of German rivers using EOF, dTOPA, (non-)target HRMS</title>
    <abstract language="eng">In this study, we compare analytical methods for PFAS determination–target analysis, non-target screening (NTS), direct total oxidizable precursor assay (dTOPA) and extractable organically bound fluorine (EOF). Therefore, suspended particulate matter (SPM) samples from German rivers at different locations in time series from2005 to 2020 were analyzed to investigate temporal and spatially resolved trends. In this study 3 PFAS mass balances approaches were utilized: (i) PFAA target vs. PFAS dTOPA, (ii) PFAS target vs. EOF and (iii) PFAS target vs. PFAS dTOPA vs. organofluorines NTS vs. EOF. Mass balance approach (i) revealed high proportions of precursor substances in SPM samples. For the time resolved analysis an increase from 94% (2005) to 97% in 2019 was observable. Also for the spatial resolved analysis precursor proportions were high with &gt;84% at all sampling sites. Mass balance approach (ii) showed that the unidentified EOF (uEOF) fraction increased over time from82% (2005) to 99% (2019). Furthermore, along the river courses the uEOF increased. In the combined mass balance approach (iii) using 4 different analytical approaches EOF fractions were further unraveled. The EOF pattern was fully explainable at the sampling sites at Saar and Elbe rivers. For the time resolved analysis, an increased proportion of the EOF was now explainable. However, still 27% of the EOF for the time resolved analysis and 25% of the EOF for the spatial resolved analysis remained unknown. Therefore, in a complementary approach, both the EOF and dTOPA reveal unknown gaps in the PFAS mass balance and are valuable contributions to PFAS risk assessment. Further research is needed to identify organofluorines summarized in the EOF parameter.</abstract>
    <parentTitle language="eng">Science of the total environment</parentTitle>
    <identifier type="doi">10.1016/j.scitotenv.2023.163753</identifier>
    <identifier type="issn">1879-1026</identifier>
    <identifier type="issn">0048-9697</identifier>
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    <enrichment key="date_peer_review">09.05.2023</enrichment>
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    <author>Fabian Simon</author>
    <author>Lennart Gehrenkemper</author>
    <author>S. Becher</author>
    <author>G. Dierckes</author>
    <author>Nicole Langhammer</author>
    <author>Antje Cossmer</author>
    <author>Marcus von der Au</author>
    <author>B. Göckener</author>
    <author>A. Fliedner</author>
    <author>H. Rüdel</author>
    <author>J. Koschorreck</author>
    <author>Björn Meermann</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>PFAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>HR-CS-GFMAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fluorine</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>SPM</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>LC-MS/MS</value>
    </subject>
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    <issue/>
    <volume>281</volume>
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    <title language="eng">An optimized method for PFAS analysis using HR–CS–GFMAS via GaF detection</title>
    <abstract language="eng">The analysis of per- and polyfluoroalkyl substances (PFAS) via sum parameters like extractable organic fluorine (EOF) in combination with high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR–CS–GFMAS) is highly promising regarding fluorine sensitivity and selectivity. However, the HR–CS–GFMAS method includes several drying and heating steps which can lead to losses of volatile PFAS before the molecular formation step using e.g., GaF formation. Hence, the method leads to a strong discrimination of PFAS within the EOF depending on their physical/chemical properties and is therefore associated with reduced accuracy. To reduce this discrepancy and to indicate realistic PFAS pollution values, an optimization of the HR–CS–GFMAS method for PFAS analysis is needed. Hence, we determined fluorine response factors of several PFAS with different physical/chemical properties upon application of systematic optimization steps. We could therefore improve the method's sensitivity for PFAS analysis using a modifier drying pre-treatment step followed by a sequential injection of sample solutions. The highest improvement in sensitivity of volatile PFAS was shown upon addition of a Mg modifier during drying pre-treatment. Thereby, during optimization the relative standard deviation of fluorine response factors could be reduced from 55 % (initial method) to 27 % (optimized method) leading to a more accurate determination of organofluorine sum parameters. The method provides an instrumental LOD and LOQ of β(F) 1.71 μg/L and 5.13 μg/L, respectively. Further validation aimed to investigate several matrix effects with respect to water matrices. Here, substance-specific behavior was observed. For example, perfluorooctanoic acid (PFOA) which was used as calibrator, showed signal suppressions upon high chloride concentrations (&gt;50 mg/L). Hence, a thorough separation of Cl from analytes during sample preparation is needed for accurate sum parameter analysis.</abstract>
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    <author>Fabian Simon</author>
    <author>Marcus von der Au</author>
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    <title language="eng">Can Qualitative Nontarget Data Be Indicative of PFAS Contamination? First Evidence by Correlation with EOF in Environmental Samples</title>
    <abstract language="eng">We correlated nontarget screening (NTS) features and extractable organic fluorine (EOF) data for PFAS analysis in environmental samples. Soils, sediments, and ashes from different locations (Germany, France, and Lithuania) (n = 34) were analyzed via liquid chromatography-high-resolution mass spectrometry and high-resolution continuum source-graphite furnace molecular absorption spectrometry. NTS feature prioritization based on mass to carbon (m/C) and mass defect to carbon (MD/C) ratios was applied to discriminate potential PFAS features from common co-extracted organic matrix. Our results show a high correlation between quantitative EOF and the prioritized feature number (R2 = 0.87; rPearson = 0.93) and the total peak area of&#13;
prioritized features (R2 = 0.97; rPearson = 0.98), while commonly applied MD ranges for filtering showed much weaker correlation with EOF. The observed correlations in PFAS-contaminated samples highlight that MD/C−m/C prioritization is associated with a good indication of the overall PFAS burden as evidenced by EOF. Also, semiquantitative data can be extracted as shown by EOF versus prioritized peak areas. The correlations indicate that weakly fluorinated compounds were negligible and that the EOF was mostly composed of highly fluorinated substances. Our method features the potential to automatically screen large NTS data sets for potential PFAS, determine the contribution of PFAS to EOF, and provide preliminary estimates of the overall PFAS burden.</abstract>
    <parentTitle language="eng">Environmental Science &amp; Technology Letters</parentTitle>
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