Poly- and perfluorinated alkyl substances (PFAS)

PFAS have been detected on contaminated agricultural soils loaded with compost and fibers from paper industry. Details on PFAS products and their environmental fate are largely unknown. Therefore, we are applying nontarget screening approaches with LC-high-resolution mass spectrometry and Kendrick mass analysis to screen environmental samples for PFAS products and transformation products. We apply electrochemical oxidation and simulated sunlight experiments to characterize PFAS contamination and to investigate the fate of PFAS in the field.

PFAWAS: Input, preconcentration and mobilization of PFAS in urban water infrastructures (Baden-Württemberg Stiftung, 2023 - 2026)

PFClean: Innovative modular system for the sustainable reduction of PFAS contaminants in soil and groundwater (LURCH Collaborative Project, BMBF, 2023 - 2026); Collaboration partners: DVGW-Technologiezentrum Wasser (TZW), Karlsruhe; Institut für Wasser- und Umweltsystemmodellierung, Universität Stuttgart; Arcadis GmbH, Karlsruhe; Geiger Entsorgung GmbH, Waltenhofen; Industrie Engineering GmbH, Reutlingn; Sax + Klee GmbH Bauunternehmung, Mannheim

PFAS in consumer products: Characterization of PFAS and their TP formation potential by LC-HRMS and oxidation methods (DBU, 2021-2023)

FluorTECH: Fluorinated compounds from technical products in paper production – Evaluation of transformation, transport and formation potential by innovative analytical methods (BWplus, PTKA 2019-2021)

EOFplus: Optimization of EOF analysis taking various classes of poly and perfluorinated compounds into consideration – Non target screening and electrochemical oxidation (BWplus, PTKA 2019-2021); Collaboration partners: Technologiezentrum Wasser (TZW), Karlsruhe; Fraunhofer-Institut für Verfahrenstechnik und Verpackung (IVV), Freising; Landwirtschaftliches Technologiezentrum Augustenberg (LTZ), Karlsruhe; Helmholtz Zentrum für Umweltforschung (UFZ), Leipzig

• Zweigle, J., Bugsel, B., Fabregat-Palau, J. and Zwiener, C. (2024) PFAScreen — an open-source tool for automated PFAS feature prioritization in non-target HRMS data. Analytical and Bioanalytical Chemistry 416, 349 - 362.   DOI: 10.1007/s00216-023-05070-2

• Bugsel, B., Zweigle, J. and Zwiener, C. (2023) Nontarget screening strategies for PFAS prioritization and identification by high resolution mass spectrometry: A review. Trends in Environmental Analytical Chemistry 40, e00216.   DOI: 10.1016/j.teac.2023.e00216

• Zweigle, J.; Bugsel, B.; Zwiener, C., Efficient PFAS prioritization in non-target HRMS data: systematic evaluation of the novel MD/C-m/C approach. Anal. Bioanal. Chem. 2023, 415, 1791-1801.   DOI: 10.1007/s00216-023-04601-1

• Strynar, M., McCord, J., Newton, S., Washington, J., Barzen-Hanson, K., Trier, X., Liu, Y., Dimzon, I.K., Bugsel, B., Zwiener, C. and Munoz, G. (2023) Practical application guide for the discovery of novel PFAS in environmental samples using high resolution mass spectrometry. Journal of Exposure Science & Environmental Epidemiology, 33, 575-588.   DOI: 10.1038/s41370-023-00578-2

• Bugsel, B., Schüßler, M., Zweigle, J., Schmitt, M. and Zwiener, C. (2023) Photocatalytical transformation of fluorotelomer- and perfluorosulfonamide-based PFAS on mineral surfaces and soils in aqueous suspensions. Science of the Total Environment 894, 164907.   DOI: 10.1016/j.scitotenv.2023.164907

• Zweigle, J., Bugsel, B., Röhler, K., Haluska, A.A. and Zwiener, C. (2023) PFAS-Contaminated Soil Site in Germany: Nontarget Screening before and after Direct TOP Assay by Kendrick Mass Defect and FindPFΔS. Environmental Science & Technology 57, 6647-6655.   DOI: 10.1021/acs.est.2c07969

• Zweigle, J., Capitain, C., Simon, F., Roesch, P., Bugsel, B. and Zwiener, C. (2023) Non-extractable PFAS in functional textiles – characterization by complementary methods: oxidation, hydrolysis, and fluorine sum parameters. Environmental Science: Processes & Impacts 25, 1298-1310.   DOI: 10.1039/D3EM00131H

• Zweigle, J.; Bugsel, B.; Capitain, C.; Zwiener, C., PhotoTOP: PFAS Precursor Characterization by UV/TiO2 Photocatalysis. Environ. Sci. Technol. 2022, 56, 15728-15736.   DOI: 10.1021/acs.est.2c05652

• Bugsel, B.; Bauer, R.; Herrmann, F.; Maier, M. E.; Zwiener, C., LC-HRMS screening of per- and polyfluorinated alkyl substances (PFAS) in impregnated paper samples and contaminated soils. Anal Bioanal Chem 2022, 414, 1217-1225.

• Zweigle, J.; Bugsel, B.; Schmitt, M.; Zwiener, C., Electrochemical Oxidation of 6:2 Polyfluoroalkyl Phosphate Diester—Simulation of Transformation Pathways and Reaction Kinetics with Hydroxyl Radicals. Environ. Sci. Technol. 2021, 55, (16), 11070-11079.

• Bugsel, B.; Zwiener, C., LC-MS screening of poly- and perfluoroalkyl substances in contaminated soil by Kendrick mass analysis. Anal Bioanal Chem 2020, 412, 4797-4805. https://doi.org/10.1007/s00216-019-02358-0

• Janda, J., Nödler, K., Scheurer, M., Happel, O., Nürenberg, G., Zwiener, C. and Lange, F.T. (2019) Closing the gap – inclusion of ultrashort-chain perfluoroalkyl carboxylic acids in the total oxidizable precursor (TOP) assay protocol. Environmental Science: Processes & Impacts (21), 1926-1935.   https://doi.org/10.1039/C9EM00169G