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    <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>
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    <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>53333</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
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    <publisherPlace/>
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    <title language="eng">Detection of PFAS pollution in environmental samples - A Fast &amp; sensitive PFAS sum parameter method using HR CS GFMAS</title>
    <abstract language="eng">The substance class of per- and polyfluorinated alkyl substances (PFAS) comprises more than 5300 organic compounds. PFAS are completely fluorinated on at least one carbon atom. They are associated with negative impacts on human and animal health, are extremely persistent in the environment, and bioaccumulate along food chains. Therefore, PFAS are classified as emerging pollutants. At the same time, their physicochemical properties make them attractive for use in diverse technical applications. They are both hydrophobic and lipophobic and show high thermal as well as chemical resistance due to the strong C-F bond.&#13;
First regulations of some PFAS in combination with the technically excellent properties generated an innovation pressure and led to an enormous increase in the number of fluorinated substitution compounds. Due to the increasing complexity of this substance class, target analysis is not able to cover such a variety and multitude of analytes.&#13;
Therefore, a suitable PFAS sum parameter method is necessary for an accurate detection of PFAS pollution in the environment, the identification of PFAS hotspots and an evaluation of appropriate remediation measures.&#13;
Here we provide insights into the current state of PFAS sum parameter development and present our latest results on method development for the quantitative analysis of PFAS as extractable organically bound fluorine (EOF) in environmental samples using high-resolution molecular absorption spectrometry (HR-CS-GFMAS). For this purpose, we optimized the extraction of PFAS from different solid matrices with simultaneous separation of inorganic fluoride. For quantification resulting extracts were measured using a fluorine specific HR-CS-GFMAS method. By adding gallium salt solutions as modifiers in HR-CS-GFMAS, fluorine can be indirectly quantified very selectively by the in situ formation of GaF with low limits of quantification (instrumental LOQ c(F) &lt; 3 µg/L). Here we will show results from real soil samples from sites with and without known contamination.</abstract>
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    <author>Lennart Gehrenkemper</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>Soil</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>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="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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  </doc>
  <doc>
    <id>52451</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
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    <type>poster</type>
    <publisherName/>
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    <completedDate>--</completedDate>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Organically bound fluorine in river water - A methode comparison of CIC and HR-CS-GFMAS</title>
    <abstract language="eng">Abstract: Since it is unknown for many applications, which PFASs are used and how they enter the environment, target analysis-based methods reach their limits. The two most frequently used sum parameters are the adsorbable organically bound fluorine (AOF) and the extractable organically bound fluorine (EOF). Both can be quantified using either combustion ion chromatography (CIC) or high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS). Here we provide an insight on the advantageous and disadvantageous of both sum parameters and both detection methods. Our study is based on the analysis of surface water samples. Next to total fluorine (TF) analysis, AOF and EOF were determined as well as CIC and HR-CS-GFMAS are compared and results are comparatively discussed. Fluorine mass balancing revealed that, the AOF/TF proportion was higher than the EOF/TF proportion. The AOF made up 0.14–0.81% of TF and the EOF 0.04–0.28% of TF. Although, organically bound fluorine represents only a small portion of TF, PFASs are of worldwide concern, because of their extreme persistence and their bioaccumulation potential. The EOF-HR-CS-GFMAS method turned out to be more precise and sensitive than the AOF-CIC method and is a promising tool for future monitoring studies/routine analysis of PFASs in the environment.</abstract>
    <enrichment key="eventName">SALSA Make and Measure 2020: Advanced Characterization of Materials</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
    <enrichment key="eventStart">15.10.2020</enrichment>
    <enrichment key="eventEnd">17.10.2020</enrichment>
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    <author>Lennart Gehrenkemper</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>Surfacewaters</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="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </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>
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    <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>53227</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>deu</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
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    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="deu">Erfassung der PFAS-Belastungssituation in Umweltproben - Schnelle &amp; sensitive PFAS-Summenparameteranalytik mittels HR-CS-GFMAS</title>
    <abstract language="deu">In der Verbindungsklasse der per- und polyfluorierte alkylischen Substanzen (PFAS) werden über 5200 organische Verbindungen zusammengefasst. PFAS sind an mindestens einem Kohlenstoffatom vollständig fluoriert. Sie werden mit negativen Einflüssen auf die menschliche und tierische Gesundheit assoziiert, sind extrem persistent in der Umwelt und bioakkumulieren entlang von Nahrungsnetzen. Daher zählen PFAS zu den „emerging pollutants“. Gleichzeitig machen ihre physikalisch-chemischen Eigenschaften sie für die Verwendung in diversen technischen Anwendungen attraktiv. Sie sind sowohl hydro- als auch lipophob und zeigen durch die starke C-F-Bindung hohe thermische wie chemische Beständigkeit.&#13;
  Erste Regulierungen einiger PFAS in Kombination mit den technisch hervorragenden Eigenschaften erzeugt einen Innovationsdruck und führten zu einem enormen Anstieg in der Zahl der Substitutionsverbindungen. Auf Grund der steigenden Komplexität der Substanzklasse ist die Target-Analytik nicht in der Lage eine solche Vielfalt und Vielzahl an Analyten zu erfassen.&#13;
  Für eine akkurate Erfassung der Belastungssituation durch PFAS, die Identifikation von PFAS-Hotspots und eine Bewertung von geeigneten Sanierungsmaßnahmen ist daher eine geeignete PFAS-Summenparameteranalytik notwendig.&#13;
  Daher geben wir hier Einblicke in den aktuellen Stand der PFAS-Summenparameterentwicklung und präsentieren unsere neusten Ergebnisse zur Methodenentwicklung für die quantitative Analyse von PFAS als extrahierbares organisch gebundenes Fluor (EOF) in Umweltproben mittels hochauflösender Molekülabsorptionsspektrometrie (HR-CS-GFMAS). Hierfür optimierten wir die Extraktion von PFAS aus verschieden Feststoff-Matrizes bei zeitgleicher Abtrennung anorganischen Fluorids. Durch den Zusatz von Galliumsalz-Lösungen als modifier in der HR-CS-GFMAS kann Fluor indirekt sehr selektiv durch die in situ Bildung von GaF sehr nachweisstark (instrumentelle LOQ ~3 µg/L) quantifiziert werden.</abstract>
    <enrichment key="eventName">Umwelt 2021</enrichment>
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    <author>Lennart Gehrenkemper</author>
    <subject>
      <language>deu</language>
      <type>uncontrolled</type>
      <value>Per- and polyfluorinated alkyl substances (PFASs)</value>
    </subject>
    <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>Solid phase extraction (SPE)</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="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="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</collection>
  </doc>
  <doc>
    <id>53228</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>lecture</type>
    <publisherName/>
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    <belongsToBibliography>0</belongsToBibliography>
    <completedDate>--</completedDate>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Finding the most suitable PFASs sum parameter method - A Comparison of AOF vs. EOF and CIC vs. HR-CS-GFMAS</title>
    <abstract language="eng">Since it is unknown for many applications, which PFASs are used and how they enter the environment, target analysis-based methods reach their limits. The two most frequently used sum parameters are the adsorbable organically bound fluorine (AOF) and the extractable organically bound fluorine (EOF). Both can be quantified using either combustion ion chromatography (CIC) or high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS). Here we provide an insight on the advantageous and disadvantageous of both sum parameters and both detection methods. Our study is based on the analysis of surface water samples. Next to total fluorine (TF) analysis, AOF and EOF were determined as well as CIC and HR-CS-GFMAS are compared and results are comparatively discussed. Fluorine mass balancing revealed that, the AOF/TF proportion was higher than the EOF/TF proportion. The AOF made up 0.14–0.81% of TF and the EOF 0.04–0.28% of TF. Although, organically bound fluorine represents only a small portion of TF, PFASs are of worldwide concern, because of their extreme persistence and their bioaccumulation potential. The EOF-HR-CS-GFMAS method turned out to be more precise and sensitive than the AOF-CIC method and is a promising tool for future monitoring studies/routine analysis of PFASs in the environment.</abstract>
    <enrichment key="eventName">Emerging Contaminants in the Environment Conference</enrichment>
    <enrichment key="eventPlace">Online meeting</enrichment>
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    <author>Lennart Gehrenkemper</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>
    <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="fulltextaccess" number="">Datei im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="literaturgattung" number="">Präsentation</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/>
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    <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>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <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>
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    <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>58939</id>
    <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>
    <publisherPlace/>
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    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <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. 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    <author>Lennart Gehrenkemper</author>
    <author>Isabel Rühl</author>
    <author>Tanja Westphalen</author>
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    <author>Marcus von der Au</author>
    <author>Antje Cossmer</author>
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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>
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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>
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      <type>uncontrolled</type>
      <value>PFAS</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>HR-CS-GFMAS</value>
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    <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>
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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>
    <author>Lennart Gehrenkemper</author>
    <author>Björn Meermann</author>
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    <title language="eng">From watersheds to dinner plates: Evaluating PFAS exposure through fish consumption in Southeast Michigan</title>
    <abstract language="eng">Muscle tissue and organ samples of six different fish species were collected from ten locations in Southeast Michigan’s Huron and Rouge watersheds. Per- and polyfluoroalkyl substances (PFAS) were analyzed in 36 samples comprising filets, liver, gut, and eggs using targeted analysis and the direct total oxidizable precursor (dTOP) assay on a subset of six samples. The median concentrations of the ΣPFAS in filets from the Huron and Rouge watersheds were 13 and 6.3 ng/g wet weight (w.w.), respectively. Perfluorooctane sulfonate (PFOS) was the most detected and abundant compound in fish organs, with the liver having the largest overall burden of PFAS. The highest percent increase in targeted PFAS after the dTOP assay was observed in the Catfish filet (552%) while the smallest increase was in the Catfish liver (32%) accounting for 1.3 and 8.1 nMole F/g dry weight (d.w.), respectively. The positive matrix factorization (PMF) analysis revealed three distinct PFAS sources, of which the one attributed to PFOS explained 73% of the data. Results from this work have important implications for fish consumption in Michigan waterways. Among the filet samples analyzed, the calculated daily consumption limit of total PFOS was exceeded in approximately 82% and 91% of samples for adults and children over the age of seven years old, respectively.</abstract>
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    <identifier type="doi">10.1016/j.chemosphere.2023.140454</identifier>
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    <title language="eng">Development of a fully automated slurry sampling introduction system for GF-AAS and its application for the determination of cadmium in different matrices</title>
    <abstract language="eng">element analysis, offering high sensitivity and precision. However, its effectiveness is limited by sample preparation challenges for solid samples like soils and microplastics. Traditional methods include sample preparation, such as digestion, which is time-consuming and involves reagents, like acids, contributing to measurement uncertainty and higher carbon footprints. Slurry sampling allows direct analysis of suspensions, offering a more efficient alternative. However, maintaining suspension stability is challenging, requiring robust autosampler systems to streamline the process and enhance analytical performance.&#13;
Results: We present a novel autosampler extension for slurry sample introduction into GF-AAS. This system ensures suspension stability with a stirring device and closed vessels to prevent evaporation and contamination, incorporating a cooling unit to reduce solvent and analyte losses. It installs and removes in minutes without&#13;
additional connections. Validation with cadmium analysis in BAM-U110 (Soil) and BAM-H010 (ABS) showed high reliability. For BAM-U110 (Soil), we achieved recovery rates of 94 % ± 13 % in water suspension. The recovery rate for BAM-H010 (ABS) was 104 % ±11 % in acetonitrile suspension. These results demonstrate the system’s robustness, versatility, and accuracy for different matrices.&#13;
Significance:&#13;
The autosampler extension helps solve key problems in trace element analysis of solid samples, making the process faster and more accurate. It works well with complex materials, making it useful for areas like microplastic or nanoparticle analysis. This improvement also helps meet regulations for monitoring environ mental and polymer samples, offering a reliable and flexible tool for high-throughput analysis with fewer errors.</abstract>
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    <collection role="themenfelder" number="">Umwelt-Material-Interaktionen</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/61853/Analytica Chimica Acta 1335 (2025) 343460.pdf</file>
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