{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T13:08:05Z","timestamp":1788872885526,"version":"build-2803163510"},"reference-count":39,"publisher":"American Chemical Society (ACS)","issue":"35","license":[{"start":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T00:00:00Z","timestamp":1787616000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T00:00:00Z","timestamp":1787616000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,8,25]],"date-time":"2026-08-25T00:00:00Z","timestamp":1787616000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100004794","name":"Centre National de la Recherche Scientifique","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004794","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,9,8]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Reliable screening of per- and polyfluoroalkyl substances (PFASs) in complex environmental matrices remains challenging due to severe spectral congestion and matrix-derived interferences under nontargeted conditions. Accurate-mass criteria from high-resolution mass spectrometry (HRMS) alone are often insufficient to suppress putative PFAS candidates arising from natural organic matter (NOM), leading to elevated false-positive rates. Here, we develop a mobility-resolved PFAS screening strategy by integrating direct-infusion gated trapped ion mobility spectrometry with Fourier transform ion cyclotron resonance mass spectrometry (gTIMS FTICR MS). By defining the mobility-resolved chemical space and characteristic mobility behavior of PFAS reference standards, ion mobility is implemented as a physically based decision constraint rather than a supplementary descriptor. Evaluation across chemically diverse NOM systems and environmental samples (e.g., landfill leachate and wastewater) demonstrates that enforcing mobility\u2013m\/z consistency reduces the space of putative PFAS candidates by more than 90% relative to mass-only screening. The mobility constraint further enables discrimination of near-isobaric interferences differing by only a few millidaltons (e.g., 2.54 mDa) and supports higher-confidence prioritization of PFAS candidates through agreement with homologous mobility trends. Rather than aiming for definitive structural identification, this work establishes a transferable mobility-constrained screening framework that improves the reliability of nontargeted PFAS detection in complex environmental matrices.<\/jats:p>","DOI":"10.1021\/acs.analchem.6c02263","type":"journal-article","created":{"date-parts":[[2026,8,31]],"date-time":"2026-08-31T22:43:36Z","timestamp":1788216216000},"page":"25659-25668","source":"Crossref","is-referenced-by-count":0,"title":["Ion Mobility-Constrained\nNontargeted Screening of\nPFAS in Complex Environmental Matrices Using 18-T FTICR Mass\nSpectrometry"],"prefix":"10.1021","volume":"98","author":[{"ORCID":"https:\/\/orcid.org\/0009-0004-1932-8265","authenticated-orcid":true,"given":"Meng","family":"Jiao","sequence":"first","affiliation":[{"name":"Universite\u0301 of Poitiers , , ,","place":["Poitiers, France, 86000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7671-1736","authenticated-orcid":true,"given":"Simon","family":"Ollivier","sequence":"additional","affiliation":[{"name":"Universite\u0301 de Rouen Normandie , , ,","place":["Rouen, France, 76000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marie","family":"Hubert-Roux","sequence":"additional","affiliation":[{"name":"Universite\u0301 de Rouen Normandie , , ,","place":["Rouen, France, 76000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mathilde","family":"Lauzent","sequence":"additional","affiliation":[{"name":"Universite\u0301 de Rouen Normandie , , ,","place":["Rouen, France, 76000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5464-7721","authenticated-orcid":true,"given":"Christophe","family":"Coutanceau","sequence":"additional","affiliation":[{"name":"Universite\u0301 of Poitiers , , ,","place":["Poitiers, France, 86000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2406-5664","authenticated-orcid":true,"given":"Carlos","family":"Afonso","sequence":"additional","affiliation":[{"name":"Universite\u0301 de Rouen Normandie , , ,","place":["Rouen, France, 76000"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean-Philippe","family":"Croue\u0301","sequence":"additional","affiliation":[{"name":"Universite\u0301 of Poitiers , , ,","place":["Poitiers, France, 86000"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,8,25]]},"reference":[{"issue":"44","key":"2026090808080136100_cit1","doi-asserted-by":"publisher","first-page":"16918","DOI":"10.1021\/acs.est.3c04855","article-title":"Per- and Polyfluoroalkyl\nSubstances (PFAS) in PubChem:\n7 Million and Growing","volume":"57","author":"Schymanski","year":"2023","journal-title":"Environ. Sci. Technol."},{"issue":"2","key":"2026090808080136100_cit2","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1515\/reveh-2020-0049","article-title":"Per and polyfluoroalkyl substances scientific literature\nreview: water exposure, impact on human health, and implications for\nregulatory reform","volume":"36","author":"Chohan","year":"2021","journal-title":"Rev. Environ. Health"},{"issue":"33","key":"2026090808080136100_cit3","doi-asserted-by":"publisher","first-page":"14641","DOI":"10.1021\/acs.est.4c04050","article-title":"Unbound Fractions of PFAS in Human and Rodent\nTissues: Rat Liver a Suitable Proxy for Evaluating Emerging PFAS?","volume":"58","author":"Ryu","year":"2024","journal-title":"Environ. Sci. Technol."},{"issue":"5","key":"2026090808080136100_cit4","doi-asserted-by":"publisher","first-page":"2508","DOI":"10.1021\/acs.est.6b04806","article-title":"A Never-Ending Story\nof Per- and Polyfluoroalkyl Substances (PFASs)?","volume":"51","author":"Wang","year":"2017","journal-title":"Environ. Sci. Technol."},{"key":"2026090808080136100_cit5","doi-asserted-by":"publisher","first-page":"120422","DOI":"10.1016\/j.envpol.2022.120422","article-title":"The effects\nof exposure to environmentally relevant PFAS concentrations for aquatic\norganisms at different consumer trophic levels: Systematic review\nand meta-analyses","volume":"315","author":"Banyoi","year":"2022","journal-title":"Environ. Pollut."},{"issue":"2","key":"2026090808080136100_cit6","doi-asserted-by":"publisher","first-page":"95","DOI":"10.1080\/10643389.2023.2223118","article-title":"A critical review on\nthe bioaccumulation, transportation, and elimination of per- and polyfluoroalkyl\nsubstances in human beings","volume":"54","author":"Lu","year":"2024","journal-title":"Crit. Rev. Environ.\nSci. Technol."},{"key":"2026090808080136100_cit7","doi-asserted-by":"publisher","DOI":"10.1016\/j.teac.2023.e00216","article-title":"Nontarget screening\nstrategies for\nPFAS prioritization and identification by high resolution mass spectrometry:\nA review","volume":"40","author":"Bugsel","year":"2023","journal-title":"Trends Environ. Anal. Chem."},{"issue":"1","key":"2026090808080136100_cit8","doi-asserted-by":"publisher","first-page":"135","DOI":"10.1021\/acsmeasuresciau.4c00083","article-title":"Challenges\nin PFAS Postdegradation\nAnalysis: Insights from the PFAS-CTAB Model System","volume":"5","author":"Navarathna","year":"2025","journal-title":"ACS Meas. Sci. Au"},{"issue":"7","key":"2026090808080136100_cit9","doi-asserted-by":"publisher","first-page":"1169","DOI":"10.1007\/s13361-019-02205-7","article-title":"Structural Study of Analogues of\nTitan\u2019s Haze by Trapped Ion Mobility Coupled with a Fourier\nTransform Ion Cyclotron Mass Spectrometer","volume":"30","author":"Ruger","year":"2019","journal-title":"J.\nAm. Soc. Mass Spectrom."},{"issue":"28","key":"2026090808080136100_cit10","doi-asserted-by":"publisher","first-page":"11343","DOI":"10.1021\/acs.analchem.4c01370","article-title":"A Gated TIMS FTICR\nMS Instrument to Decipher Isomeric Content of Complex Organic Mixtures","volume":"96","author":"Wootton","year":"2024","journal-title":"Anal. Chem."},{"issue":"10","key":"2026090808080136100_cit11","doi-asserted-by":"publisher","first-page":"5698","DOI":"10.1021\/acs.analchem.4c06674","article-title":"Development of a Nontargeted\nAlgorithm for Per- and Polyfluoroalkyl Substances in the FT-ICR Mass\nSpectra of Complex Organic Mixtures","volume":"97","author":"Fu","year":"2025","journal-title":"Anal. Chem."},{"issue":"3","key":"2026090808080136100_cit12","doi-asserted-by":"publisher","first-page":"2041","DOI":"10.1021\/acs.analchem.7b04159","article-title":"21 T FT-ICR\nMass Spectrometer for Ultrahigh-Resolution Analysis of Complex Organic\nMixtures","volume":"90","author":"Smith","year":"2018","journal-title":"Anal. Chem."},{"issue":"4","key":"2026090808080136100_cit13","doi-asserted-by":"publisher","first-page":"2455","DOI":"10.1021\/acs.est.1c08143","article-title":"PFAS Analysis\nwith Ultrahigh Resolution\n21T FT-ICR MS: Suspect and Nontargeted Screening with Unrivaled Mass\nResolving Power and Accuracy","volume":"56","author":"Young","year":"2022","journal-title":"Environ. Sci.\nTechnol."},{"key":"2026090808080136100_cit14","doi-asserted-by":"publisher","first-page":"226","DOI":"10.1002\/jms.2953","article-title":"The use of\nmass defect in modern mass spectrometry","volume":"47","author":"Sleno","year":"2012","journal-title":"J.\nMass Spectrom."},{"issue":"4","key":"2026090808080136100_cit15","doi-asserted-by":"publisher","first-page":"2047","DOI":"10.1021\/acs.est.6b05843","article-title":"Discovery of 40\nClasses of Per- and Polyfluoroalkyl\nSubstances in Historical Aqueous Film-Forming Foams (AFFFs) and AFFF-Impacted\nGroundwater","volume":"51","author":"Barzen-Hanson","year":"2017","journal-title":"Environ. Sci. Technol."},{"key":"2026090808080136100_cit16","first-page":"121","article-title":"High-resolution\nmass spectrometry (HRMS) methods for nontarget discovery and characterization\nof poly- and per-fluoroalkyl substances (PFASs) in environmental and\nhuman samples","author":"Liu","year":"2019","journal-title":"TrAC, Trends Anal. Chem."},{"issue":"25","key":"2026090808080136100_cit17","doi-asserted-by":"publisher","first-page":"12865","DOI":"10.1021\/acs.est.4c11600","article-title":"Retrospective Identification of Novel and Legacy Per- and Polyfluoroalkyl\nSubstances in German Archived Fish Livers Using a Combined High-Resolution\nMass Spectrometry Approach","volume":"59","author":"Dudasova","year":"2025","journal-title":"Environ. Sci. Technol."},{"issue":"13","key":"2026090808080136100_cit18","doi-asserted-by":"publisher","first-page":"6636","DOI":"10.1021\/acs.est.4c13846","article-title":"FluoroMatch IM: An Interactive Software for PFAS Analysis\nby Ion Mobility Spectrometry","volume":"59","author":"Smolinski","year":"2025","journal-title":"Environ. Sci.\nTechnol."},{"issue":"3","key":"2026090808080136100_cit19","doi-asserted-by":"publisher","first-page":"291","DOI":"10.1002\/mas.21585","article-title":"Recommendations for reporting ion\nmobility Mass Spectrometry measurements","volume":"38","author":"Gabelica","year":"2019","journal-title":"Mass\nSpectrom. Rev."},{"issue":"12","key":"2026090808080136100_cit20","doi-asserted-by":"publisher","first-page":"9133","DOI":"10.1021\/acs.est.2c00201","article-title":"Uncovering PFAS and Other Xenobiotics\nin the Dark Metabolome Using Ion Mobility Spectrometry, Mass Defect\nAnalysis, and Machine Learning","volume":"56","author":"Foster","year":"2022","journal-title":"Environ. Sci.\nTechnol."},{"key":"2026090808080136100_cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.teac.2024.e00239","article-title":"Ion mobility separation coupled to\nhigh-resolution mass spectrometry in environmental analysis \u2013\nCurrent state and future potential","volume":"43","author":"Celma","year":"2024","journal-title":"Trends Environ.\nAnal. Chem."},{"key":"2026090808080136100_cit22","doi-asserted-by":"publisher","first-page":"341026","DOI":"10.1016\/j.aca.2023.341026","article-title":"Collision\ncross-section as a universal molecular descriptor in the analysis\nof PFAS and use of ion mobility spectrum filtering for improved analytical\nsensitivities","volume":"1251","author":"Diaz-Galiano","year":"2023","journal-title":"Anal. Chim. Acta"},{"issue":"6","key":"2026090808080136100_cit23","doi-asserted-by":"publisher","first-page":"4427","DOI":"10.1021\/acs.analchem.9b05364","article-title":"Rapid Characterization\nof Per- and Polyfluoroalkyl Substances (PFAS) by Ion Mobility Spectrometry-Mass\nSpectrometry (IMS-MS)","volume":"92","author":"Dodds","year":"2020","journal-title":"Anal. Chem."},{"issue":"8","key":"2026090808080136100_cit24","doi-asserted-by":"publisher","first-page":"4321","DOI":"10.1021\/ac504866v","article-title":"Targeted high-resolution\nion mobility separation coupled to ultrahigh-resolution mass spectrometry\nof endocrine disruptors in complex mixtures","volume":"87","author":"Benigni","year":"2015","journal-title":"Anal. Chem."},{"issue":"14","key":"2026090808080136100_cit25","doi-asserted-by":"publisher","first-page":"7404","DOI":"10.1021\/acs.analchem.6b01946","article-title":"Oversampling Selective Accumulation Trapped Ion Mobility\nSpectrometry Coupled to FT-ICR MS: Fundamentals and Applications","volume":"88","author":"Benigni","year":"2016","journal-title":"Anal. Chem."},{"key":"2026090808080136100_cit26","doi-asserted-by":"publisher","first-page":"68","DOI":"10.1021\/bk-2000-0761.ch005","article-title":"Comprehensive Isolation\nof Natural Organic Matter from Water for Spectral Characterizations\nand Reactivity Testing","volume-title":"Natural Organic Matter\nand Disinfection By-Products: characterization and Control in Drinking\nWater","author":"Leenheer","year":"2000"},{"key":"2026090808080136100_cit27","doi-asserted-by":"publisher","first-page":"119859","DOI":"10.1016\/j.watres.2023.119859","article-title":"Improved\ntotal organic fluorine methods for more comprehensive measurement\nof PFAS in industrial wastewater, river water, and air","volume":"235","author":"Forster","year":"2023","journal-title":"Water Res."},{"issue":"6","key":"2026090808080136100_cit28","doi-asserted-by":"publisher","first-page":"473","DOI":"10.1021\/acs.estlett.2c00206","article-title":"Communicating Confidence of Per- and Polyfluoroalkyl\nSubstance Identification via High-Resolution Mass Spectrometry","volume":"9","author":"Charbonnet","year":"2022","journal-title":"Environ. Sci. Technol. Lett."},{"issue":"33","key":"2026090808080136100_cit29","doi-asserted-by":"publisher","first-page":"17711","DOI":"10.1021\/acs.est.5c01354","article-title":"Updated\nGuidance for Communicating PFAS Identification Confidence with Ion\nMobility Spectrometry","volume":"59","author":"Boatman","year":"2025","journal-title":"Environ. Sci. Technol."},{"issue":"4","key":"2026090808080136100_cit30","doi-asserted-by":"publisher","first-page":"983","DOI":"10.1039\/C8SC04396E","article-title":"Collision cross section compendium\nto annotate and predict multi-omic compound identities","volume":"10","author":"Picache","year":"2019","journal-title":"Chem. Sci."},{"key":"2026090808080136100_cit31","unstructured":"U.S. Environmental Protection Agency.\n          \n          PFAS Master\nList of PFAS Substances - CompTox Chemicals Dashboard. https:\/\/comptox.epa.gov\/dashboard\/chemical-lists\/PFASMASTER. (accessed 2025\u201304)."},{"issue":"22","key":"2026090808080136100_cit32","doi-asserted-by":"publisher","first-page":"4833","DOI":"10.1007\/s00216-024-05426-2","article-title":"An automated and high-throughput data processing workflow\nfor PFAS identification in biota by direct infusion ultra-high resolution\nmass spectrometry","volume":"416","author":"Dudasova","year":"2024","journal-title":"Anal Bioanal Chem."},{"issue":"23","key":"2026090808080136100_cit33","doi-asserted-by":"publisher","first-page":"15575","DOI":"10.1021\/acs.est.1c06896","article-title":"A New OECD\nDefinition for Per- and Polyfluoroalkyl Substances","volume":"55","author":"Wang","year":"2021","journal-title":"Environ. Sci. Technol."},{"issue":"9","key":"2026090808080136100_cit34","doi-asserted-by":"publisher","first-page":"1104","DOI":"10.1021\/acs.estlett.5c00478","article-title":"Scientists\u2019\nStatement on the Chemical Definition of PFASs","volume":"12","author":"Sigmund","year":"2025","journal-title":"Environ. Sci. Technol. Lett."},{"issue":"43","key":"2026090808080136100_cit35","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.adj7048","article-title":"Uncovering\nper- and polyfluoroalkyl substances (PFAS) with nontargeted ion mobility\nspectrometry\u2013mass spectrometry analyses","volume":"9","author":"Kirkwood-Donelson","year":"2023","journal-title":"Sci. Adv."},{"issue":"1","key":"2026090808080136100_cit36","doi-asserted-by":"publisher","first-page":"573","DOI":"10.1515\/ntrev-2019-0051","article-title":"A brief review\nfor fluorinated carbon: synthesis, properties and applications","volume":"8","author":"Liu","year":"2019","journal-title":"Nanotechnol. Rev."},{"issue":"5","key":"2026090808080136100_cit37","doi-asserted-by":"publisher","first-page":"527","DOI":"10.1080\/14756360701425014","article-title":"The role of fluorine\nin medicinal chemistry","volume":"22","author":"Shah","year":"2007","journal-title":"J. Enzyme Inhib. Med.\nChem."},{"issue":"24","key":"2026090808080136100_cit38","doi-asserted-by":"publisher","first-page":"12210","DOI":"10.1021\/acs.analchem.6b03198","article-title":"Ion Accumulation Time Dependent Molecular\nCharacterization\nof Natural Organic Matter Using Electrospray Ionization-Fourier Transform\nIon Cyclotron Resonance Mass Spectrometry","volume":"88","author":"Cao","year":"2016","journal-title":"Anal.\nChem."},{"issue":"8","key":"2026090808080136100_cit39","doi-asserted-by":"publisher","first-page":"1813","DOI":"10.1021\/jasms.3c00208","article-title":"Spectral Quality Assessment Strategy\nBased on the (13)C-Isotopic Pattern for the Fourier Transform Ion\nCyclotron Resonance Mass Spectra of Dissolved Organic Matter","volume":"34","author":"Sun","year":"2023","journal-title":"J. Am. Soc. Mass Spectrom."}],"container-title":["Analytical Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.analchem.6c02263","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/ancham\/article-pdf\/98\/35\/25659\/67394961\/acs.analchem.6c02263.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.acs.org\/ancham\/article-pdf\/98\/35\/25659\/67394961\/acs.analchem.6c02263.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,8]],"date-time":"2026-09-08T12:23:08Z","timestamp":1788870188000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/ancham\/article\/98\/35\/25659\/5328363\/Ion-Mobility-Constrained-Nontargeted-Screening-of"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,8,25]]},"references-count":39,"journal-issue":{"issue":"35","published-online":{"date-parts":[[2026,8,25]]},"published-print":{"date-parts":[[2026,9,8]]}},"URL":"https:\/\/doi.org\/10.1021\/acs.analchem.6c02263","relation":{},"ISSN":["0003-2700","1520-6882"],"issn-type":[{"value":"0003-2700","type":"print"},{"value":"1520-6882","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,8,25]]}}}