High-Resolution Mass Spectrometry for Human Exposomics: Expanding Chemical Space Coverage

Environmental Science & Technology, Journal Year: 2024, Volume and Issue: 58(29), P. 12784 - 12822

Published: July 10, 2024

In the modern "omics" era, measurement of human exposome is a critical missing link between genetic drivers and disease outcomes. High-resolution mass spectrometry (HRMS), routinely used in proteomics metabolomics, has emerged as leading technology to broadly profile chemical exposure agents related biomolecules for accurate measurement, high sensitivity, rapid data acquisition, increased resolution space. Non-targeted approaches are increasingly accessible, supporting shift from conventional hypothesis-driven, quantitation-centric targeted analyses toward data-driven, hypothesis-generating exposome-wide profiling. However, HRMS-based exposomics encounters unique challenges. New analytical computational infrastructures needed expand analysis coverage through streamlined, scalable, harmonized workflows pipelines that permit longitudinal tracking, retrospective validation, multi-omics integration meaningful health-oriented inferences. this article, we survey literature on state-of-the-art technologies, review current informatic pipelines, provide an up-to-date reference exposomic chemists, toxicologists, epidemiologists, care providers, stakeholders health sciences medicine. We propose efforts benchmark fit-for-purpose platforms expanding space, including gas/liquid chromatography-HRMS (GC-HRMS LC-HRMS), discuss opportunities, challenges, strategies advance burgeoning field exposome.

Language: Английский

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Non-target screening in water analysis: recent trends of data evaluation, quality assurance, and their future perspectives

Analytical and Bioanalytical Chemistry, Journal Year: 2024, Volume and Issue: 416(9), P. 2125 - 2136

Published: Feb. 1, 2024

Abstract This trend article provides an overview of recent advancements in Non-Target Screening (NTS) for water quality assessment, focusing on new methods data evaluation, qualification, quantification, and assurance (QA/QC). It highlights the evolution NTS processing, where open-source platforms address challenges result comparability complexity. Advanced chemometrics machine learning (ML) are pivotal identification correlation analysis, with a growing emphasis automated workflows robust classification models. The also discusses rigorous QA/QC measures essential NTS, such as internal standards, batch effect monitoring, matrix assessment. examines progress quantitative (qNTS), noting ionization efficiency-based quantification predictive modeling despite sample variability analytical standards. Selected studies illustrate NTS’s role combining high-resolution mass spectrometry chromatographic techniques enhanced chemical exposure addresses prioritization challenges, highlighting integration database searches computational tools efficiency. Finally, outlines future research needs including establishing comprehensive guidelines, improving measures, reporting results. underscores potential to integrate multivariate chemometrics, AI/ML tools, multi-way into combine various sources understand ecosystem health protection comprehensively.

Language: Английский

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Distinctive biotransformation and biodefluorination of 6:2 versus 5:3 fluorotelomer carboxylic acids by municipal activated sludge

Water Research, Journal Year: 2024, Volume and Issue: 254, P. 121431 - 121431

Published: March 5, 2024

Language: Английский

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De facto Water Reuse: Investigating the Fate and Transport of Chemicals of Emerging Concern from Wastewater Discharge through Drinking Water Treatment Using Non-targeted Analysis and Suspect Screening

Environmental Science & Technology, Journal Year: 2024, Volume and Issue: 58(5), P. 2468 - 2478

Published: Jan. 22, 2024

Wastewater is a source for many contaminants of emerging concern (CECs), and surface waters receiving wastewater discharge often serve as water downstream drinking treatment plants. Nontargeted analysis suspect screening methods were used to characterize chemicals in residence-time-weighted grab samples companion polar organic chemical integrative samplers (POCIS) collected on three separate hydrologic sampling events along flow path representative de facto reuse. The goal this work was examine the fate CECs study transported from effluent through treatment. Grab POCIS provided comparison between single-point sample results. This unique rigorous design, coupled with advanced analytical chemistry tools, important insights into found their potential sources, which can be help prioritize further study. K-means clustering identify patterns occurrences across both sites events. Chemical features that occurred frequently or survived prioritized identification, resulting probable identification over 100 watershed 28 treated water.

Language: Английский

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Filling the Gaps in PFAS Detection: Integrating GC-MS Non-Targeted Analysis for Comprehensive Environmental Monitoring and Exposure Assessment

Environmental Science & Technology Letters, Journal Year: 2025, Volume and Issue: 12(2), P. 104 - 112

Published: Jan. 23, 2025

Per- and polyfluoroalkyl substances (PFAS) have garnered increasing attention in recent years, non-targeted analysis (NTA) has become essential for elucidating novel PFAS structures. NTA research been dominated by liquid chromatography–mass spectrometry (LC-MS) with gas (GC-MS) used less often as evidenced bibliometrics. However, the performance of GC-MS studies (GC-NTA) rivals that LC-ESI-MS, is shown to cover a complementary chemical space. An LC-ESI-MS amenability model applied list approximately 12,000 revealed than 10% known chemistry predicted be amenable typical LC-MS analysis. Therefore, there strong potential applying methods more fully assess environmental contamination landscape, uniquely shedding light on both PFAS, especially within space realm volatile semivolatile PFAS. Waste streams from fluorochemical manufacturing facilities heavily studied using targeted GC-MS; however, GC-NTA needed discover are not emitted facilities. Studies incineration PFAS-containing materials, such aqueous film forming foam, focused destruction parent compounds, little about transformation products formed during processes. holds elucidate when incinerated. Wastewater treatment plants landfills sources environment, yet understand air emissions these sources. Consumer lead indoor exposures via dust, but this area either or GC-MS. Despite challenges advancing GC-NTA, we call researchers, grantors, managers, other stakeholders recognize necessity so may face together.

Language: Английский

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Liquid and gas-chromatography-mass spectrometry methods for exposome analysis

Journal of Chromatography A, Journal Year: 2025, Volume and Issue: unknown, P. 465728 - 465728

Published: Jan. 1, 2025

Language: Английский

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Fenton-like process in antibiotic-containing wastewater treatment: applications and toxicity evaluation

Chinese Chemical Letters, Journal Year: 2025, Volume and Issue: unknown, P. 110996 - 110996

Published: Feb. 1, 2025

Language: Английский

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Chemical Characterization in Medical Device Evaluation: Current Practices, Regulatory Requirements, and Future Directions

Annals of Biomedical Engineering, Journal Year: 2025, Volume and Issue: unknown

Published: March 4, 2025

Language: Английский

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Endocrine Disruptors and Thyroid Health

Endocrine Practice, Journal Year: 2023, Volume and Issue: 30(2), P. 172 - 176

Published: Nov. 11, 2023

Language: Английский

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Bridging knowledge gaps in human chemical exposure via drinking water with non-target screening

Critical Reviews in Environmental Science and Technology, Journal Year: 2024, Volume and Issue: unknown, P. 1 - 25

Published: Sept. 1, 2024

Fundamental knowledge gaps still exist in the exposome, especially regarding analytical space coverage, mapping and prioritization of a very large number diverse chemical structures. This review focuses on contributions suspect non-target screening (NTS) to contaminants characterization toxicity assessment drinking water. A comprehensive publications from 2013-2024 revealed only 172 substances identified with certainty using NTS 17 countries. The approaches, their complementarity, effectiveness use compound identification frameworks are discussed. 'intelligent' tools (including machine learning) aid substance identification, is emerging. Strategies for integration epidemiology also considered, including re-use existing data. holds great potential exposure water its contribution exposome.

Language: Английский

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