LC-MS Screening of Poly- and Perfluoroalkyl Substances in Contaminated Soil by Kendrick Mass Analysis
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Abstract The application of contaminated paper sludge on arable land in southwest Germany caused the occurrence of a broad range of poly- and perfluoroalkyl substances (PFASs) on soil. Recently, the dead-end transformation products (TPs) perfluorooctanoic acid and perfluorooctanesulfonic acid were detected in groundwater and drinking water. The precursors and other transformation products mostly remained unknown. Therefore, HRMS screening by Kendrick mass analysis and assignment of homologous series in combination with suspect screening were applied to identify original PFASs and their TPs in four different soil samples from sites where contaminated paper sludge was applied. In total, twelve compound classes comprising more than 61 PFASs could be fully or tentatively identified. The data reveal that contamination mainly originates from polyfluorinated dialkylated phosphate esters (from 4:2/6:2 to 12:2/14:2), N -ethyl perfluorooctane sulfonamide ethanol–based phosphate diesters (only C 8 /C 8 ) and transformation products of these precursors. Contamination patterns can be attributed to PFASs used for paper impregnation and can vary slightly from site to site.
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A C6 containing phosphonic acid and ester functional groups (8:2 monoPAP-diEes) identified in this study was detected in PFAS-contaminated soil (from paper sludge) in Germany.
“A C6 containing phosphonic acid and ester functional groups (8:2 monoPAP-diEes) identified in this study was detected in PFAS-contaminated soil (from paper sludge) in Germany [50].”
From In-Vitro and In-Silico Assessment of Per- and Polyfluoroalkyl Substances (PFAS) in Aqueous Film-Forming Foam (AFFF) Binding to Human Serum Albumin (2021) · cites this paper as [50]
The Abstract describes PFAS-contaminated soil at sites in southwest Germany where paper sludge was applied. The Results and discussion section on diPAPs reports detection of phosphate esters, including 6:2/8:2 diPAP, but does not identify the claimed 8:2 monoPAP-diEes or establish its phosphonic-acid and ester functional groups. No page numbers are available in our copy. (LLM, conf=0.87)
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- Authors
- Bugsel, B., & Zwiener, C.
- Affiliations
- University of Tübingen (DE)
- Corresponding author
- Zwiener, Christian
- Venue
- Analytical and Bioanalytical Chemistry
- Published
- 2020-01-09
- Volume
- 412
- Issue
- 20
- Pages
- 4797-4805
- ISSN
- 1618-2642 (ISSN-L)
- 1618-2650
- PMC
- PMC7334281
- OpenAlex
- W3000274847
- Cited by
- 97
- References
- 40
- Citations by year
- 2026: 6 · 2025: 16 · 2024: 15 · 2023: 28 · 2022: 14 · 2021: 13 · 2020: 5
- FWCI
- 5.57
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Locations
- Analytical and Bioanalytical Chemistry (publishedVersion, cc-by)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- Funders
- Baden-Wuerttemberg Ministry of the Environment, Climate Protection and Energy, Germany (EOFplus / L75 17012)
- Topics
- Physical Sciences › Environmental Science › Environmental Chemistry › Per- and polyfluoroalkyl substances research
- Physical Sciences › Environmental Science › Health, Toxicology and Mutagenesis › Toxic Organic Pollutants Impact
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Pharmaceutical Science › Fluorine in Organic Chemistry
- Keywords
- per- and polyfluoroalkyl substances, contaminated soil, paper mill sludge, suspect screening, homologous series, perfluorooctanoic acid, PFOS, paper impregnation, groundwater contamination, drinking water contamination
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