Capitain Catharina, Schüßler Melanie, Bugsel Boris, Zweigle Jonathan, Vogel Christian, Leube Peter, Zwiener Christian
Environmental Analytical Chemistry, Department of Geosciences, University of Tübingen, Schnarrenbergstraße 94-96, 72076 Tübingen, Germany.
Department of Plant and Environmental Sciences, University of Copenhagen, Thorvaldsensvej 40, Frederiksberg, Kobenhavn 1871, Denmark.
Environ Sci Technol. 2025 Apr 15;59(14):7338-7347. doi: 10.1021/acs.est.4c14255. Epub 2025 Apr 3.
This study presents a novel semiquantification approach for nontarget screening (NTS), combining matrix-matched calibration and ionization class-specific average calibration curves (ACCs) to address the lack of analytical reference standards for most per- and polyfluoroalkyl substances (PFAS). Ionization class-specific ACCs for carboxylic and sulfonic acids, sulfonamides, and cationic PFAS result in high accuracy, with median absolute accuracy quotients below 2.27×. The approach was applied to soil impacted by aqueous film-forming foam (AFFF) contamination. A total of 96 tentatively identified PFAS were semiquantified in addition to 28 quantified compounds based on available standards. Semiquantified concentrations exceeded those of target analytes, demonstrating the critical role of this method in capturing broader PFAS contamination. In this case, validation against extractable organofluorine (EOF) showed a 102% closed mass balance. The innovative approach not only enables comprehensive PFAS contamination assessment in complex matrices but also expands the scope of the NTS for environmental monitoring, remediation, and risk assessment of AFFF-contaminated sites.
本研究提出了一种用于非目标筛查（NTS）的新型半定量方法，该方法结合了基质匹配校准和特定电离类别平均校准曲线（ACC），以解决大多数全氟和多氟烷基物质（PFAS）缺乏分析参考标准的问题。针对羧酸、磺酸、磺酰胺和阳离子PFAS的特定电离类别ACC可实现高精度，中位绝对准确度商低于2.27倍。该方法应用于受水成膜泡沫（AFFF）污染影响的土壤。除了基于现有标准定量的28种化合物外，还对总共96种初步鉴定的PFAS进行了半定量。半定量浓度超过了目标分析物的浓度，证明了该方法在捕获更广泛的PFAS污染方面的关键作用。在这种情况下，针对可提取有机氟（EOF）的验证显示质量平衡闭合率为102%。这种创新方法不仅能够对复杂基质中的PFAS污染进行全面评估，还扩展了AFFF污染场地环境监测、修复和风险评估中非目标筛查的范围。
