Comparing Suspect and Nontargeted Screening Workflows for Perinatal Chemical Exposome Analysis: A European Interlaboratory Study from the PARC-EU Project

Abstract Early-life chemical exposures may contribute to adverse health outcomes later in life. However, conventional chemical analyses typically cover only a limited subset of the chemical exposureome. Suspect and nontargeted screening (SS/NTS) using high-resolution mass spectrometry (HRMS) workflows provides a powerful framework for comprehensive assessments of exposure, with the potential to detect a broad range of environmental contaminants and emerging chemicals. An interlaboratory assay involving 12 laboratories was performed to evaluate the comparability and complementarity of SS/NTS approaches for maternal urine, serum, and milk, based on reversed-phase (RPLC), hydrophilic interaction liquid chromatography (HILIC), and gas chromatography (GC) with HRMS. Participants used in-house methods to possibly detect a predefined and shared list of 50 compounds with varying polarities spiked at three concentrations. The overall detection rates ranged from 4% to 72% for all three techniques, with RPLC-HRMS covering compounds with log P 0–6, while HILIC-HRMS and GC-HRMS extended this coverage. Univariate and multivariable analyses of RPLC-HRMS results for serum and urine identified sample preparation steps as key factors influencing detection rates. Workflow performances were additionally benchmarked by using the S-score. These findings demonstrate the complementarity of SS/NTS platforms for extending chemical-space coverage for the most comprehensive exposure characterization. Therefore, efforts should be made for harmonized QA/QC provisions while conserving the added value of different workflows for exposure data for risk assessments.

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Publication Details

Journal
Environmental Science & Technology
Published
2026-09-15
DOI
https://doi.org/10.1021/acs.est.6c04347
Primary Topic
Health, Environment, Cognitive Aging
Type
article
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article

Comparing Suspect and Nontargeted Screening Workflows for Perinatal Chemical Exposome Analysis: A European Interlaboratory Study from the PARC-EU Project

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Environmental Science & Technology
Health, Environment, Cognitive Aging
article

Comparing Suspect and Nontargeted Screening Workflows for Perinatal Chemical Exposome Analysis: A European Interlaboratory Study from the PARC-EU Project

Tarek Moufawad, Michel Laurentie, Rosalie Nijssen, Mariana F. Fernández, Baninia Habchi, Tina Kosjek, Katrin Vorkamp, Arthur David, Benedikt Warth, Adrian Covaci, Helena Plešnik, Aikaterini Termentzi, Serena Rizzo, Martin Krauß, Herbert Oberacher, Eirini Baira, Clément Chalet, Elena Salamanca‐Fernández, Lidia Belova, Carolin Huber, Jean‐Philippe Antignac, Jade Chaker, Annelaure Damont, Linyan Zhu, Konstantinos M. Kasiotis, Sophie Ndaw, Gaëlle Jadé, Žan Rekar, Marja Lamoree, Christian Baudry, Kolawole Ayeni, Bruno Le Bizec
article en

Abstract

Abstract Early-life chemical exposures may contribute to adverse health outcomes later in life. However, conventional chemical analyses typically cover only a limited subset of the chemical exposureome. Suspect and nontargeted screening (SS/NTS) using high-resolution mass spectrometry (HRMS) workflows provides a powerful framework for comprehensive assessments of exposure, with the potential to detect a broad range of environmental contaminants and emerging chemicals. An interlaboratory assay involving 12 laboratories was performed to evaluate the comparability and complementarity of SS/NTS approaches for maternal urine, serum, and milk, based on reversed-phase (RPLC), hydrophilic interaction liquid chromatography (HILIC), and gas chromatography (GC) with HRMS. Participants used in-house methods to possibly detect a predefined and shared list of 50 compounds with varying polarities spiked at three concentrations. The overall detection rates ranged from 4% to 72% for all three techniques, with RPLC-HRMS covering compounds with log P 0–6, while HILIC-HRMS and GC-HRMS extended this coverage. Univariate and multivariable analyses of RPLC-HRMS results for serum and urine identified sample preparation steps as key factors influencing detection rates. Workflow performances were additionally benchmarked by using the S-score. These findings demonstrate the complementarity of SS/NTS platforms for extending chemical-space coverage for the most comprehensive exposure characterization. Therefore, efforts should be made for harmonized QA/QC provisions while conserving the added value of different workflows for exposure data for risk assessments.

Environmental Science & Technology
University of Vienna (AT), Institut National de la Recherche Agronomique (MA), Exponent (United States) (US), Helmholtz Centre for Environmental Research (DE), Innsbruck Medical University (AT), University of Antwerp (BE), École nationale d'ingénieurs de Brest (FR), Aarhus University (DK), Université Paris-Saclay (FR), Jožef Stefan Institute (SI), Université Rennes 2 (FR), Instituto de Investigación Biosanitaria de Granada (ES), Benaki Phytopathological Institute (GR), Agence Nationale de Sécurité Sanitaire de l’Alimentation, de l’Environnement et du Travail (FR), Centro de Investigación Biomédica en Red de Epidemiología y Salud Pública (ES), Oniris (FR), Université de Rennes (FR), Institut National de Recherche et de Sécurité (FR), Vrije Universiteit Amsterdam (NL), Wageningen University & Research (NL)
Openalex Percentile: Top 12%
Health, Environment, Cognitive Aging
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