high-resolution mass spectrometry (HRMS); identification confidence; ion mobility spectrometry (IMS); nontargeted analysis (NTA); per- and polyfluoroalkyl substances (PFAS); Fluorocarbons; Humans; Environmental Monitoring; Ion Mobility Spectrometry; Confidence levels; High resolution mass spectrometry; High-resolution mass spectrometry; Non-targeted; Nontargeted analyze; Per- and polyfluoroalkyl substance; Polyfluoroalkyl substances; Chemistry (all); Environmental Chemistry
Abstract :
[en] Over the past decade, global contamination from per- and polyfluoroalkyl substances (PFAS) has become apparent due to their detection in countless matrices worldwide, from consumer products to human blood to drinking water. As researchers implement nontargeted analyses (NTA) to more fully understand the PFAS present in the environment and human bodies, clear guidance is needed for consistent and objective reporting of the identified molecules. Confidence levels for small molecules analyzed and identified with high-resolution mass spectrometry (HRMS) have existed since 2014; however, unification of currently used levels and improved guidance for their application is needed due to inconsistencies in reporting and continuing innovations in analytical methods. Here, we (i) investigate current practices for confidence level reporting of PFAS identified with liquid chromatography (LC), gas chromatography (GC), and/or ion mobility spectrometry (IMS) coupled with HRMS and (ii) propose a simple, unified confidence level guidance that incorporates both PFAS-specific attributes and IMS collision cross section (CCS) values.
Disciplines :
Environmental sciences & ecology
Author, co-author :
Boatman, Anna K ; Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States
Chappel, Jessie R ; Department of Environmental Sciences and Engineering, Gillings School of Global Public Health, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States ; The Institute for Environmental Health Solutions, Gillings School of Global Public Health, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States ; Curriculum in Toxicology and Environmental Medicine, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States
Kirkwood-Donelson, Kaylie I ; Immunity, Inflammation, and Disease Laboratory, National Institute of Environmental Health Sciences, Durham, North Carolina 27709, United States
Fleming, Jonathon F; Predictive Toxicology Branch, Division of Translational Toxicology, National Institute of Environmental Health Sciences, Durham, North Carolina 27713, United States
Reif, David M; Predictive Toxicology Branch, Division of Translational Toxicology, National Institute of Environmental Health Sciences, Durham, North Carolina 27713, United States
Rager, Julia E; Department of Environmental Sciences and Engineering, Gillings School of Global Public Health, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States ; The Institute for Environmental Health Solutions, Gillings School of Global Public Health, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States ; Curriculum in Toxicology and Environmental Medicine, School of Medicine, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States
Baker, Erin S ; Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27514, United States
External co-authors :
yes
Language :
English
Title :
Updated Guidance for Communicating PFAS Identification Confidence with Ion Mobility Spectrometry.
National Institute of Environmental Health Sciences Gillings School of Public Health Fonds National de la Recherche Luxembourg U.S. Environmental Protection Agency
Funding text :
Funding for this work was made possible through grants from the NIH National Institute of Environmental Health Sciences (P42 ES027704, P42 ES031007, and T32 ES007126), a cooperative agreement with the Environmental Protection Agency (STAR RD 84003201), and support was additionally provided through the Institute for Environmental Health Solutions at the University of North Carolina Gillings School of Global Public Health. E.L.S. acknowledges funding support from the Luxembourg National Research Fund (FNR) for project A18/BM/12341006.
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