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

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Authors

LAI Yunjia KOELMEL Jeremy P. WALKER Douglas I. PRICE Elliott James PAPAZIAN Stefano MANZ Katherine E. CASTILLA-FERNANDEZ Delia BOWDEN John A. NIKIFOROV Vladimir DAVID Arthur BESSONNEAU Vincent AMER Bashar SEETHAPATHY Suresh HU Xin LIN Elizabeth Z. JBEBLI Akrem MCNEIL Brooklynn R. BARUPAL Dinesh CERASA Marina XIE Hongyu KALIA Vrinda NANDAKUMAR Renu SINGH Randolph TIAN Zhenyu GAO Peng ZHAO Yujia FROMENT Jean ROSTKOWSKI Pawel DUBEY Saurabh COUFALÍKOVÁ Kateřina SELIČOVÁ Hana HECHT Helge LIU Sheng UDHANI Hanisha H. RESTITUITO Sophie TCHOU-WONG Kam-Meng KUN Lu MARTIN Jonathan W. WARTH Benedikt POLLITT Krystal J. Godri KLÁNOVÁ Jana FIEHN Oliver METZ Thomas O. PENNELL Kurt D. JONES Dean P. MILLER Gary W.

Year of publication 2024
Type Article in Periodical
Magazine / Source ENVIRONMENTAL SCIENCE & TECHNOLOGY
MU Faculty or unit

Faculty of Science

Citation
Web https://pubs.acs.org/doi/10.1021/acs.est.4c01156
Doi http://dx.doi.org/10.1021/acs.est.4c01156
Keywords exposome; toxicants; high-resolutionmass spectrometry; chromatography; non-targetedanalysis; environmentalexposures; chemical space; metabolomics
Attached files
Description In the modern "omics" era, measurement of the human exposome is a critical missing link between genetic drivers and disease outcomes. High-resolution mass spectrometry (HRMS), routinely used in proteomics and metabolomics, has emerged as a leading technology to broadly profile chemical exposure agents and related biomolecules for accurate mass measurement, high sensitivity, rapid data acquisition, and increased resolution of chemical space. Non-targeted approaches are increasingly accessible, supporting a shift from conventional hypothesis-driven, quantitation-centric targeted analyses toward data-driven, hypothesis-generating chemical exposome-wide profiling. However, HRMS-based exposomics encounters unique challenges. New analytical and computational infrastructures are needed to expand the analysis coverage through streamlined, scalable, and harmonized workflows and data pipelines that permit longitudinal chemical exposome tracking, retrospective validation, and multi-omics integration for meaningful health-oriented inferences. In this article, we survey the literature on state-of-the-art HRMS-based technologies, review current analytical workflows and informatic pipelines, and provide an up-to-date reference on exposomic approaches for chemists, toxicologists, epidemiologists, care providers, and stakeholders in health sciences and medicine. We propose efforts to benchmark fit-for-purpose platforms for expanding coverage of chemical space, including gas/liquid chromatography-HRMS (GC-HRMS and LC-HRMS), and discuss opportunities, challenges, and strategies to advance the burgeoning field of the exposome.
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