Evidence map›Paper›PMID 39704186›Full record

ArticleEnvironmental science & technology2025

Expanding PFAS Identification with Transformation Product Libraries: Nontargeted Analysis Reveals Biotransformation Products in Mice.

Sheng Liu, David A Dukes, Jeremy P Koelmel, Paul Stelben, Jasen Finch, Joseph Okeme, Charles Lowe, Antony Williams, David Godri, Emma E Rennie and 3 more

Abstract readValidation Study
In one paragraph

Article in Environmental science & technology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

5 citing papers in PubMed.

  1. Review
  2. Review
  3. Article
  4. Article
  5. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

13 authors.

Sheng LiuDepartment of Environmental Health Science, Yale School of Public Health, New Haven, Connecticut 06511, United States.ORCID 0009-0002-0653-0427
David A DukesDepartment of Civil Engineering, Stony Brook University, Stony Brook, New York 11794, United States.
Jeremy P KoelmelDepartment of Environmental Health Science, Yale School of Public Health, New Haven, Connecticut 06511, United States.ORCID 0000-0001-9985-8901
Paul StelbenDepartment of Environmental Health Science, Yale School of Public Health, New Haven, Connecticut 06511, United States.
Jasen FinchInstitute of Biological, Environmental and Rural Sciences, Aberystwyth University, Aberystwyth, Ceredigion SY23 3EB, U.K.
Joseph OkemeDepartment of Environmental Health Science, Yale School of Public Health, New Haven, Connecticut 06511, United States.ORCID 0000-0001-7604-0736
Charles LoweCenter for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711, United States.ORCID 0000-0001-9151-6157
Antony WilliamsCenter for Computational Toxicology and Exposure, Office of Research and Development, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina 27711, United States.ORCID 0000-0002-2668-4821
David GodriThird Floor Solutions, Toronto, ON M5V 3L9, Canada.
Emma E RennieAgilent Technologies, Santa Clara, California 95051, United States.
Emily ParryAgilent Technologies, Santa Clara, California 95051, United States.
Carrie A McDonoughDepartment of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213, United States.ORCID 0000-0001-5152-8495
Krystal J Godri PollittDepartment of Environmental Health Science, Yale School of Public Health, New Haven, Connecticut 06511, United States.ORCID 0000-0001-7332-2228

Funding

Intramural EPA EPA999999
6 · The paper itself

Abstract

Per- and polyfluoroalkyl substances (PFAS) are widely used persistent synthetic chemicals that have been linked to adverse health effects. While the behavior of PFAS has been evaluated in the environment, our understanding of reaction products in mammalian systems is limited. This study identified biological PFAS transformation products and generated mass spectral libraries to facilitate an automated search and identification. The biological transformation products of 27 PFAS, spanning 5 chemical subclasses (alcohols, sulfonamides, carboxylic acids, ethers, and esters), were evaluated following enzymatic reaction with mouse liver S9 fractions. Four major pathways were identified by liquid chromatography-high-resolution mass spectrometry: glucuronidation, sulfation, dealkylation, and oxidation. Class-based fragmentation rules and associated PFAS transformation product libraries were generated and integrated into an automated nontargeted PFAS data analysis software (FluoroMatch). Fragmentation was additionally predicted for the potential transformation products of more than 2,500 PFAS in the EPA CompTox Chemicals Dashboard PFASSTRUCTv4. Generated mass spectral libraries were validated by applying FluoroMatch to a data set of urine from aqueous film-forming foam (AFFF)-dosed mice. Toxicity predictions showed identified PFAS transformation products to be potential developmental and mutagenic toxicants. This research enables more comprehensive PFAS characterization in biological systems, which will improve the assessment of exposures and evaluation of the associated health impacts.

Indexed as

Environmental PollutantsFluorocarbonsMass SpectrometryAnimalsBiotransformationMiceEnvironmental PollutantsFluorocarbonsbiological transformationFluoroMatchglucuronide conjugateLC-MS/MSmass spectrum libraryper- and polyfluoroalkyl substances (PFAS)

Identifiers

PMID39704186
PMCPMC12097807

What OpenQuestion holds

Textmetadata
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.