Implementation of Matrix-Matched Semiquantification of PFAS in AFFF-Contaminated Soil DOI Creative Commons
Catharina Capitain,

Melanie Schüßler,

Boris Bugsel

и другие.

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Апрель 3, 2025

This study presents a novel semiquantification approach for nontarget screening (NTS), combining matrix-matched calibration and ionization class-specific average curves (ACCs) to address the lack of analytical reference standards most per- polyfluoroalkyl substances (PFAS). Ionization ACCs carboxylic sulfonic acids, sulfonamides, cationic PFAS result in high accuracy, with median absolute accuracy quotients below 2.27×. The was applied soil impacted by aqueous film-forming foam (AFFF) contamination. A total 96 tentatively identified were semiquantified addition 28 quantified compounds based on available standards. Semiquantified concentrations exceeded those target analytes, demonstrating critical role this method capturing broader In case, validation against extractable organofluorine (EOF) showed 102% closed mass balance. innovative not only enables comprehensive contamination assessment complex matrices but also expands scope NTS environmental monitoring, remediation, risk AFFF-contaminated sites.

Язык: Английский

Assessment of PFAS contamination in agricultural soils: non-target identification of precursors, fluorine mass balance and microcosm studies DOI Creative Commons
Joel Fabregat‐Palau, Jonathan Zweigle,

Dominik Renner

и другие.

Journal of Hazardous Materials, Год журнала: 2025, Номер unknown, С. 137798 - 137798

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

1
Modeling PFAS Sorption in Soils Using Machine Learning DOI Creative Commons
Joel Fabregat‐Palau, Amirhossein Ershadi, Michael Finkel

и другие.

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Апрель 11, 2025

In this study, we introduce PFASorptionML, a novel machine learning (ML) tool developed to predict solid-liquid distribution coefficients (Kd) for per- and polyfluoroalkyl substances (PFAS) in soils. Leveraging data set of 1,274 Kd entries PFAS soils sediments, including compounds such as trifluoroacetate, cationic, zwitterionic PFAS, neutral fluorotelomer alcohols, the model incorporates PFAS-specific properties molecular weight, hydrophobicity, pKa, alongside soil characteristics like pH, texture, organic carbon content, cation exchange capacity. Sensitivity analysis reveals that content are most significant factors influencing sorption behavior, while charge density mineral fraction have comparatively minor effects. The demonstrates high predictive performance, with RPD values exceeding 3.16 across validation sets, outperforming existing tools accuracy scope. Notably, chain length functional group variability significantly influence Kd, longer lengths higher hydrophobicity positively correlating Kd. By integrating location-specific repository data, enables generation spatial maps selected species. These capabilities implemented online platform providing researchers practitioners valuable resource conducting environmental risk assessments contamination

Язык: Английский

Процитировано

1
Biotic and abiotic transformations of aqueous film-forming foam (AFFF)-derived emerging polyfluoroalkyl substances in aerobic soil slurry DOI
Bo Fang, Hao Chen, Maosen Zhao

и другие.

Water Research, Год журнала: 2025, Номер 276, С. 123284 - 123284

Опубликована: Фев. 11, 2025

Язык: Английский

Процитировано

1
Implementation of Matrix-Matched Semiquantification of PFAS in AFFF-Contaminated Soil DOI Creative Commons
Catharina Capitain,

Melanie Schüßler,

Boris Bugsel

и другие.

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Апрель 3, 2025

This study presents a novel semiquantification approach for nontarget screening (NTS), combining matrix-matched calibration and ionization class-specific average curves (ACCs) to address the lack of analytical reference standards most per- polyfluoroalkyl substances (PFAS). Ionization ACCs carboxylic sulfonic acids, sulfonamides, cationic PFAS result in high accuracy, with median absolute accuracy quotients below 2.27×. The was applied soil impacted by aqueous film-forming foam (AFFF) contamination. A total 96 tentatively identified were semiquantified addition 28 quantified compounds based on available standards. Semiquantified concentrations exceeded those target analytes, demonstrating critical role this method capturing broader In case, validation against extractable organofluorine (EOF) showed 102% closed mass balance. innovative not only enables comprehensive contamination assessment complex matrices but also expands scope NTS environmental monitoring, remediation, risk AFFF-contaminated sites.

Язык: Английский

Процитировано

0