NORMAN guidance on suspect and non-target screening in environmental monitoring

Environmental Sciences Europe, Journal Year: 2023, Volume and Issue: 35(1)

Published: Sept. 4, 2023

Abstract Increasing production and use of chemicals awareness their impact on ecosystems humans has led to large interest for broadening the knowledge chemical status environment human health by suspect non-target screening (NTS). To facilitate effective implementation NTS in scientific, commercial governmental laboratories, as well acceptance managers, regulators risk assessors, more harmonisation is required. address this, NORMAN Association members involved activities have prepared this guidance document, based current state knowledge. The document intended provide performing high quality studies data interpretation while increasing promise but also pitfalls challenges associated with these techniques. Guidance provided all steps; from sampling sample preparation analysis chromatography (liquid gas—LC GC) coupled via various ionisation techniques high-resolution tandem mass spectrometry (HRMS/MS), through evaluation reporting context NTS. Although most experience within network still involves water polar compounds using LC–HRMS/MS, other matrices (sediment, soil, biota, dust, air) instrumentation (GC, ion mobility) are covered, reflecting rapid development extension field. Due ongoing developments, different questions addressed manifold use, feel that no standard operation process can be at stage. However, appropriate analytical methods, processing databases commonly compiled workflows introduced, limitations discussed recommendations cases provided. Proper assurance, quantification without reference standards results clear confidence identification assignment complete together a glossary definitions. community greatly supports sharing experiences open science hopes guideline effort.

Language: Английский

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FluoroMatch 2.0—making automated and comprehensive non-targeted PFAS annotation a reality

Analytical and Bioanalytical Chemistry, Journal Year: 2021, Volume and Issue: 414(3), P. 1201 - 1215

Published: May 20, 2021

Language: Английский

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Characterization of the Chemical Contents of Fluorinated and Fluorine-Free Firefighting Foams Using a Novel Workflow Combining Nontarget Screening and Total Fluorine Analysis

Environmental Science & Technology, Journal Year: 2019, Volume and Issue: 54(1), P. 245 - 254

Published: Dec. 2, 2019

Aqueous film-forming foams (AFFFs) are widely used to extinguish liquid fires due their properties. AFFF formulation historically contains per- and polyfluoroalkyl substances (PFASs) that can be very persistent pose a health risk biota humans. Detailed analysis of the chemical composition AFFFs provide better understanding on potential environmental impact ingredients. In this study, novel workflow combining target analysis, nontarget screening (NTA), total fluorine (TF) inorganic fluoride (IF) was applied disclose 24 intended for fires. Foams marketed as containing PFASs well fluorine-free were included. By comparing sum targeted organofluorine concentrations, mass balance known unknown could calculated. Known accounted <1% in most fluorine-containing AFFFs, it confirmed did not contain measurable amounts substances. Five fluorinated tentatively identified, non-fluorinated zwitterionic betaine compounds, which considered replacement PFASs, identified organofluorine-free foams.

Language: Английский

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PFAS Analysis with Ultrahigh Resolution 21T FT-ICR MS: Suspect and Nontargeted Screening with Unrivaled Mass Resolving Power and Accuracy

Environmental Science & Technology, Journal Year: 2022, Volume and Issue: 56(4), P. 2455 - 2465

Published: Jan. 31, 2022

Per- and polyfluoroalkyl substances (PFASs) are a large family of thousands chemicals, many which have been identified using nontargeted time-of-flight Orbitrap mass spectrometry methods. Comprehensive characterization complex PFAS mixtures is critical to assess their environmental transport, transformation, exposure, uptake. Because 21 tesla (T) Fourier-transform ion cyclotron resonance (FT-ICR MS) offers the highest available resolving power sub-ppm errors across wide molecular weight range, we developed T FT-ICR MS method screen for PFASs in an aqueous film-forming foam (AFFF) suspect screening, targeted formula database (C, H, Cl, F, N, O, P, S; ≤865 Da), isotopologues, Kendrick-analogous difference networks (KAMDNs). False-positive identifications natural organic matter (NOM) sample, served as negative control, suggested that minimum length 3 should be imposed when annotating CF2-homologous series with positive defects. We putatively 163 known during well 134 novel including suspected polyethoxylated perfluoroalkane sulfonamide series. This study shows analysis can provide unique insights into composition expand our understanding chemistries impacted matrices.

Language: Английский

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Widening the Lens on PFASs: Direct Human Exposure to Perfluoroalkyl Acid Precursors (pre-PFAAs)

Environmental Science & Technology, Journal Year: 2022, Volume and Issue: 56(10), P. 6004 - 6013

Published: March 24, 2022

Determining health risks associated with per-/polyfluoroalkyl substances (PFASs) is a highly complex problem requiring massive efforts for scientists, risk assessors, and regulators. Among the most poorly understood pressing questions relative importance of pre-PFAAs, which are PFASs that degrade to persistent perfluoroalkyl acids. How many vast number existing pre-PFAAs relevant direct human exposure, what predominant exposure pathways? What evidence provided by biomonitoring studies? important their biotransformation products assessment? This article outlines recent progress recommendations toward widening lens on PFAS include pre-PFAA subclass.

Language: Английский

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The first quantitative investigation of compounds generated from PFAS, PFAS-containing aqueous film-forming foams and commercial fluorosurfactants in pyrolytic processes

Journal of Hazardous Materials, Journal Year: 2022, Volume and Issue: 436, P. 129313 - 129313

Published: June 7, 2022

Language: Английский

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Role of Mineral–Organic Interactions in PFAS Retention by AFFF-Impacted Soil

Environmental Science & Technology, Journal Year: 2023, Volume and Issue: 57(13), P. 5231 - 5242

Published: March 22, 2023

A comprehensive, generalized approach to predict the retention of per- and polyfluoroalkyl substances (PFAS) from aqueous film-forming foam (AFFF) by a soil matrix as function PFAS molecular physiochemical properties was developed. An AFFF with 34 major (12 anions 22 zwitterions) added uncontaminated in one-dimensional saturated column experiments mass retained measured. described using an exhaustive statistical generate poly-parameter quantitative structure–property relationship (ppQSPR). The relevant predictive were molar mass, fluorine, number nitrogens molecule, poorly crystalline Fe oxides, organic carbon, specific (BET-N2) surface area. anionic nearly independent largely hydrophobicity, size fluorinated side chain main predictor. Retention nitrogen-containing zwitterionic related metal oxides carbon content. Knowledge extent which suite may respond variations properties, developed here, paves way for development reactive transport algorithms ability capture dynamics source zones over extended time frames.

Language: Английский

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Pilot scale removal of per- and polyfluoroalkyl substances and precursors from AFFF-impacted groundwater by granular activated carbon

Environmental Science Water Research & Technology, Journal Year: 2020, Volume and Issue: 6(4), P. 1083 - 1094

Published: Jan. 1, 2020

The US military, municipal fire stations, airports, and the petroleum-processing industry have used aqueous film forming foam (AFFF) to extinguish hydrocarbon-based fires.

Language: Английский

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Nontarget Screening of Per- and Polyfluoroalkyl Substances Binding to Human Liver Fatty Acid Binding Protein

Environmental Science & Technology, Journal Year: 2020, Volume and Issue: 54(9), P. 5676 - 5686

Published: April 6, 2020

More than 1000 per- and polyfluoroalkyl substances (PFASs) have been discovered by nontarget analysis (NTA), but their prioritization for health concerns is challenging. We developed a method incorporating size-exclusion column co-elution (SECC) NTA, to screen PFASs binding human liver fatty acid protein (hL-FABP). Of 74 assessed, 20 were identified as hL-FABP ligands in which eight of them high affinities. Increased PFAS affinities correlate with stronger responses electrospray ionization (ESI-) longer retention times on C18 column. This well explained mechanistic model, revealed that both polar hydrophobic interactions are crucial Encouraged this, we then an SECC identify ligands, all high-affinity selectively captured from PFASs. The was further applied aqueous film-forming foam (AFFF) product 31 new identified. Suspect nontargeted screening these analogues perfluorosulfonic acids homologues alkyl ether sulfates (C8- C10/EOn, C8H17(C2H4O)nSO4-, C10H21(C2H4O)nSO4-). AFFF-contaminated surface waters. In addition perfluorooctanesulfonic perfluorohexanesulfonic acid, other AFFF chemicals novel including four C14- C15/EOn. study implemented high-throughput prioritize the existence many previously unknown ligands.

Language: Английский

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Rapid Characterization of Emerging Per- and Polyfluoroalkyl Substances in Aqueous Film-Forming Foams Using Ion Mobility Spectrometry–Mass Spectrometry

Environmental Science & Technology, Journal Year: 2020, Volume and Issue: 54(23), P. 15024 - 15034

Published: Nov. 11, 2020

Aqueous film-forming foams (AFFF) are mixtures formulated with numerous hydrocarbon- and fluoro-containing surfactants. AFFF use leads to environmental releases of unknown per- polyfluoroalkyl substances (PFAS). composition is seldom disclosed, their elicits concerns from both regulatory agencies the public because PFAS persistent in environment potentially associated adverse health effects. In this study, we demonstrate coupled liquid chromatography, ion mobility spectrometry, mass spectrometry (LC-IMS-MS) rapidly characterize known AFFF. Ten formulations seven brands were analyzed using LC-IMS-MS negative positive modes. Untargeted analysis was followed by feature identification PFAS-like features utilizing database matching, defect homologous series evaluation, MS/MS fragmentation experiments. Across tested formulations, identified 33 series; only ten these have been previously reported. Among AFFF, FireStopper (

Language: Английский

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