Data-Driven Insights into Resin Screening for Targeted Per- and Polyfluoroalkyl Substances Removal Using Machine Learning

Environmental Science & Technology, Год журнала: 2025, Номер unknown

Опубликована: Фев. 11, 2025

In this study, we address the challenge of screening resins and optimizing operation conditions for removal 43 perfluoroalkyl polyfluoroalkyl substances (PFASs), spanning both long- short-chain fluorocarbon variants, across diverse water matrices, using machine learning (ML) models. We first develop ML models that can accurately predict efficiency PFASs based on resin properties, conditions, matrix. The model performance is validated by a test set our own experimental tests. key features from matrix influencing PFAS as well their interaction effects are comprehensively investigated. finally target long-chain (e.g., PFOS, PFOA) PFBS, GenX), developed to inversely screen determine optimal under specified Experimental tests demonstrated ML-guided approach achieves desired (RE) these PFASs, with RE values reaching 86.56% PFBS 83.73% GenX, outperforming many reported resins. This work underscores potential methodologies in operational optimization enabling efficient structurally varied compounds.

Язык: Английский

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A systematic review of methods for the analysis of total per- and polyfluoroalkyl substances (PFAS)

The Science of The Total Environment, Год журнала: 2025, Номер 967, С. 178644 - 178644

Опубликована: Фев. 12, 2025

This manuscript systematically reviews 156 peer-reviewed articles on methods for estimating total per- and polyfluoroalkyl substances (PFAS), following preferred reporting items systematic meta-analyses (PRISMA) guidelines. Direct indirect of PFAS include targeted analysis, fluorine (TF), organic (TOF), extractable (EOF), absorbable (AOF), oxidizable precursor (TOP) assay. Combustion ion chromatography (CIC) was the most utilized method (>50%), followed by particle-induced gamma-ray emission (PIGE, 9%) high-resolution-continuum source graphite furnace molecular absorption spectrometry (HR-CS-GFMAS, 6%). Techniques like instrumental neutron activation analysis (INAA) nuclear magnetic resonance (NMR) were less common. A geographic bias evident, with 69% studies from US (33%), Sweden (12%), China Germany (11%). Most research environmental samples (water, soil, sediments), while significant data gaps noted in South America, Africa, atmospheric PFAS. Challenges inter-laboratory comparisons arise inconsistent units (e.g., mg/L, μg/m3, %, etc.). About 75% involved pre-treatment solvent extraction, sorbents), 25% did not. detection limit observed concentrations varied widely, low water (ng/L) to higher levels biota, products (mg/L). Limitations contradictory results when complementary techniques are applied same sample, potentially leading over- or under-estimation. Across studies, a substantial fraction TF remains unaccounted for, highlighting need non-targeted screening (NTS) identify unknown (UPFAS UOPFAS). Bridging these is critical advancing risk assessment.

Язык: Английский

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The quest for the perfect “total PFAS” method: how can the total oxidisable precursor (TOP) assay be made reliable?

Analytical and Bioanalytical Chemistry, Год журнала: 2025, Номер unknown

Опубликована: Май 12, 2025

Язык: Английский

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Ways to improve understanding of PFAS contamination - A case study within a waste management facility

Environmental Pollution, Год журнала: 2024, Номер 356, С. 124352 - 124352

Опубликована: Июнь 11, 2024

Waste management facilities are a known source for per- and polyfluoroalkyl substances (PFAS) to the environment. In this study, water samples from seven subsections within waste facility in Sweden were analyzed PFAS extractable organofluorine (EOF). Oxidative conversion was used investigate how much precursors could contribute EOF. Out of 23 PFAS, ten compounds accounted major proportion concentrations. Before oxidative ∑

Язык: Английский

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Persulfate based total oxidizable precursor (TOP) assay approaches for advanced PFAS assessment in the environment ̶ a review

Trends in Environmental Analytical Chemistry, Год журнала: 2024, Номер unknown, С. e00242 - e00242

Опубликована: Окт. 1, 2024

Язык: Английский

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Occurrence of Ultrashort-Chain PFASs in Australian Environmental Water Samples

Environmental Science & Technology Letters, Год журнала: 2024, Номер unknown

Опубликована: Окт. 25, 2024

Ultrashort-chain per- and polyfluoroalkyl substances (PFASs) are an emerging class of contaminants that remain underexplored in environmental research. This study examines their distribution Australian drinking tap water, waters, wastewaters (n = 63) using nontarget analysis via high-resolution mass spectrometry. Thirteen ultrashort-chain PFASs were identified, including novel compounds such as perfluoroalkane sulfinate (PFPSi), hydrogen-substituted perfluoroalkyl carboxylate (H-PFCA), chloro-perfluoroalkanesulfonate (Cl-PFSA), bis-perfluoroalkyl sulfonamide (bis-FASIs). Perfluoropropanesulfonic acid (PFPrS) was the most prevalent, detected 83% surface, groundwater, wastewater samples, 67% water samples from major cities. Concentrations PFPrS perfluoroethanesulfonic (PFEtS) ranged <0.02 to 8000 ng/L. sulfonamides (FASAs) sulfates (PFA-OS) predominantly found wastewater. These findings highlight widespread presence systems underscore need for ongoing monitoring research due potential ecological human health impacts. provides essential baseline data could inform future regulatory measures management strategies.

Язык: Английский

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Emission of Perfluoroalkyl Acids and Unidentified Organofluorine from Swedish Municipal Waste Incineration Plants

Environmental Science & Technology Letters, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 12, 2024

Incineration is commonly used to dispose of waste contaminated with per- and polyfluoroalkyl substances (PFAS), despite few experimental data supporting the efficacy this technique. To investigate prevalence PFAS in residuals from Swedish municipal incineration (MWI) plants, samples fly ash, bottom flue gas condensate were collected 27 Sweden's 38 plants analyzed for 13 perfluoroalkyl acids (PFAAs). ∑13PFAA concentrations ranged 0.28 180 ng/L, 0.22–1.6 μg/kg, 0.18–38 condensate, respectively (detection frequencies 79, 21, 30%, respectively). Total fluorine (TF) measurements a subset revealed <0.20–11 mg F/L (n = 8) 120–5400 μg F/g ashes 8), former which was primarily attributed inorganic fluorine. Extractable organofluorine (EOF) exceeded by up 3 orders magnitude (0.70–16 ash [n 3] <0.80–9.0 2]), suggesting that majority occurring MWI remains unidentified. Collectively, these demonstrate temperatures exceeding 1000 °C, PFAAs other fluorinated may form and/or persist during risk being released environment via residues.

Язык: Английский

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PFAS-Free Energy Storage: Investigating Alternatives for Lithium-Ion Batteries

Environmental Science & Technology, Год журнала: 2024, Номер unknown

Опубликована: Дек. 4, 2024

The class-wide restriction proposal on perfluoroalkyl and polyfluoroalkyl substances (PFAS) in the European Union is expected to affect a wide range of commercial sectors, including lithium-ion battery (LIB) industry, where both polymeric low molecular weight PFAS are used. dossiers currently state that there weak evidence for viable alternatives use LIBs. In this Perspective, we summarize peer-reviewed literature expert opinions from academia industry verify legitimacy claims surrounding lack alternatives. Our assessment limited electrodes electrolyte, which account most critical uses LIB cells. Companies already offer or developing PFAS-free electrode electrolyte materials were identified. There also indications electrolytes development by at least one other company, but no information regarding alternative chemistries being proposed. review suggests it technically feasible make batteries applications, solutions not well-established market. Successful substitution will require an appropriate balance among performance, environmental effects associated with hazardous chemicals, economic considerations.

Язык: Английский

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A Novel Fluorine Mass Balance Method for Improved Characterization and Quantification of Extractable (Organo)fluorine in Drinking Water

Environmental Science & Technology Letters, Год журнала: 2024, Номер unknown

Опубликована: Дек. 25, 2024

Per- and polyfluoroalkyl substances (PFAS) are common contaminants of drinking water globally. Due to their large number diversity, extractable organofluorine (EOF) has been employed as a sum parameter measurement capture known unknown PFAS in environmental samples. However, current methods for determining EOF perform poorly trifluoroacetic acid (TFA) provide limited insights into the nature unidentified fluorine occurring To address this, we developed validated solid-phase extraction procedure determination with improved TFA recovery, which removes and/or accounts different species inorganic fluorine. The method produces two fractions: one containing mostly polar fluorinated (e.g., TFA, tetrafluoroborate, trifluoromethanesulfonate) another longer-chain PFAS. Hexafluorophosphate was distributed across both fractions. Application Stockholm revealed closed mass balance fraction I, predominantly (93%) consisting TFA. In II, however, 67% unidentified, pointing substance(s) similar physical–chemical properties this perfluorooctanesulfonate). addition providing clues identifying EOF, improves estimation "PFAS Total" comparison limits under European Drinking Water Directive.

Язык: Английский

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Implications of grouping per‐ and polyfluoroalkyl substances for contaminated site regulation

Remediation Journal, Год журнала: 2024, Номер 34(3)

Опубликована: Апрель 1, 2024

Abstract Per‐ and polyfluoroalkyl substances (PFAS) are a broad group of persistent organic compounds with vastly differing physicochemical toxicological properties. Some jurisdictions have proposed to regulate PFAS as single class overcome the limitations regulating such diverse on chemical‐by‐chemical basis. Implications been discussed for production use, but equivalent discussion implications managing contaminated sites is largely lacking. This opinion piece summarizes views environmental consultants, regulators, land managers, academics significant experience in researching or PFAS. The considered that neither approach nor well suited risks from site setting, defining subgroups would value. Second, some not all group, hypothesize properties drive fate transport those influence toxicity bioaccumulation animals. may be valuable observation future discussions dividing into subclasses regulation based rather than purely structural definitions.

Язык: Английский

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