Suspect Screening of Hydrocarbon Surfactants in AFFFs and AFFF-Contaminated Groundwater by High-Resolution Mass Spectrometry

García, Raymmah Aleyda; Chiaia‐Hernández, Aurea C.; Lara-Martín, Pablo A.; Loos, Martin; Hollender, Juliane; Oetjen, Karl; Higgins, Christopher; Field, Jennifer A.

doi:10.1021/acs.est.9b01895

Cited by 62 publications

(60 citation statements)

References 71 publications

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“…AFFF typically consists of a mixture of hydrocarbons (mainly glycol ether, alkyl sulfate salts, triethanolamine, and tolyltriazole) and per- and polyfluorinated surfactants. PFASs typically contribute 0.9–1.5% (w/w) of the total AFFF mixture − and are known to contaminate groundwater, wastewater, and soil near their point of use. − However, volatile PFAS release from AFFF is relatively unstudied; to the best of our knowledge, only one study has reported FTOH release from AFFF …”

Section: Introductionmentioning

confidence: 99%

Release of Volatile Per- and Polyfluoroalkyl Substances from Aqueous Film-Forming Foam

Roth

Abusallout

Hill

et al. 2020

Environ. Sci. Technol. Lett.

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Research on per- and polyfluoroalkyl substances (PFASs) released from aqueous film-forming foams (AFFFs) has primarily focused on soil and groundwater contamination, or atmospheric transport. However, gas-phase PFAS release from AFFF has not been well examined. We investigated the presence of volatile PFASs in the headspace above agitated AFFF concentrate produced within the past two years using two analytical techniques. One method utilized polyurethane foam and XAD resin with liquid chromatography mass spectrometry to quantify 30 PFASs and is similar to methods used by others to measure PFASs in air. A second, more exploratory approach used a thermal desorption sampler and gas chromatography and mass spectrometry (GC-MS) to measure 22 PFASs. Sixteen PFASs were detected in the headspace, including five fluorotelomer alcohols (0.5–38.1 μg/m3), 10 perfluorinated carboxylic acids (0.4–13670 μg/m3), and one fluorotelomer sulfonate (72.1 μg/m3). The most abundant PFAS detected in the headspace was perfluorooctanoic acid (13670 μg/m3), although it was detected only by GC-MS. Five additional fully fluorinated, iodinated, and ethenyl fluorocarbons were identified but not quantified. It is likely that firefighters are exposed to these compounds, but the risk is not yet known.

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Section: Introductionmentioning

confidence: 99%

Release of Volatile Per- and Polyfluoroalkyl Substances from Aqueous Film-Forming Foam

Roth

Abusallout

Hill

et al. 2020

Environ. Sci. Technol. Lett.

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“…In the literature, most of the modern LC methods dedicated to surfactants analysis involved RPLC with an octadecylsilica column (C18) hyphenated to MS [38][39][40]. Luo et al reported [41]. However, the C18 column was not able to provide a complete separation of all the homologs [30].…”

Section: Introductionmentioning

confidence: 99%

Chromatographic behavior and characterization of polydisperse surfactants using Ultra-High-Performance Liquid Chromatography hyphenated to High-Resolution Mass Spectrometry

Dufour¹,

Thiébaut²,

Ligiero³

et al. 2020

Journal of Chromatography A

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HAL is a multi-disciplinary open access archive for the deposit and dissemination of scientific research documents, whether they are published or not. The documents may come from teaching and research institutions in France or abroad, or from public or private research centers. L'archive ouverte pluridisciplinaire HAL, est destinée au dépôt et à la diffusion de documents scientifiques de niveau recherche, publiés ou non, émanant des établissements d'enseignement et de recherche français ou étrangers, des laboratoires publics ou privés.

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“…5i). These features assigned E are likely to be other constituents of AFFFs, for example hydrocarbon surfactants are more abundant than PFAS in AFFF [47]. Note that molecular formulae containing very few fluorine atoms and/or other atoms with a large impact on mass defect (e.g., iodine) may be in this "unlikely PFAS" (E) category.…”

Section: Data Reduction and Confidence Assignments Using Fluoromatch 20mentioning

confidence: 99%

FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality

et al. 2021

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Because of the pervasiveness, persistence, and toxicity of per-and polyfluoroalkyl substances (PFAS), there is growing concern over PFAS contamination, exposures, and health effects. The diversity of potential PFAS is astounding, with nearly 10,000 PFAS catalogued in databases to date (and growing). The ability to detect the thousands of known PFAS, and discover previously uncatalogued PFAS, is necessary to understand the scope of PFAS contamination and to identify appropriate remediation and regulatory solutions. Current non-targeted methods for PFAS analysis require manual curation and are time-consuming, prone to error, and not comprehensive. FluoroMatch Flow 2.0 is the first software to cover all steps of data processing for PFAS discovery in liquid chromatography-high-resolution tandem mass spectrometry samples. These steps include feature detection, feature blank filtering, exact mass matching to catalogued PFAS, mass defect filtering, homologous series detection, retention time pattern analysis, class-based MS/MS screening, fragment screening, and predicted MS/MS from SMILES structures. In addition, a comprehensive confidence level criterion is implemented to help users understand annotation certainty and integrate various layers of evidence to reduce overreporting. Applying the software to aqueous film forming foam analysis, we discovered over one thousand likely PFAS including previously unreported species. Furthermore, we were able to filter out 96% of features which were likely not PFAS. FluoroMatch Flow 2 increased coverage of likely PFAS by over tenfold compared to the previous release. This software will enable researchers to better characterize PFAS in the environment and in biological systems.

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Suspect Screening of Hydrocarbon Surfactants in AFFFs and AFFF-Contaminated Groundwater by High-Resolution Mass Spectrometry

Cited by 62 publications

References 71 publications

Release of Volatile Per- and Polyfluoroalkyl Substances from Aqueous Film-Forming Foam

Release of Volatile Per- and Polyfluoroalkyl Substances from Aqueous Film-Forming Foam

Chromatographic behavior and characterization of polydisperse surfactants using Ultra-High-Performance Liquid Chromatography hyphenated to High-Resolution Mass Spectrometry

FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality

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