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

Environmental Science & Technology, Год журнала: 2024, Номер 58(29), С. 12784 - 12822

Опубликована: Июль 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.

Язык: Английский

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

Journal of Chromatography A, Год журнала: 2025, Номер unknown, С. 465728 - 465728

Опубликована: Янв. 1, 2025

Язык: Английский

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Analytical methodology for unveiling human exposure to (micro)plastic additives

TrAC Trends in Analytical Chemistry, Год журнала: 2024, Номер 173, С. 117653 - 117653

Опубликована: Март 12, 2024

This review describes a wide variety of analytical approaches for the assessment human exposure to organic chemicals associated with plastic additives, focusing on works published in last decade plasticisers, bisphenols, flame retardants and antioxidants. Physiologically based extraction tests serve as preliminary in-vitro assays determine bioaccessibility these compounds from micro/nanoplastics body fluids gastrointestinal tract, skin, or lung. Whenever plastic-laden become bioavailable, metabolism is be monitored through phase I II metabolites. In this regard, methods chromatography mass spectrometry biomonitoring parent their metabolites biological samples (mostly urine plasma) are discussed depth. also covers role wastewater-based epidemiology determining overall given population plastic-related species.

Язык: Английский

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Polyphenol exposure of mothers and infants assessed by LC–MS/MS based biomonitoring in breast milk

Analytical and Bioanalytical Chemistry, Год журнала: 2024, Номер 416(7), С. 1759 - 1774

Опубликована: Фев. 16, 2024

Abstract Exposure to polyphenols is relevant throughout critical windows of infant development, including the breastfeeding phase. However, quantitative assessment in human breast milk has received limited attention so far, though may positively influence health. Therefore, a targeted LC–MS/MS assay was developed investigate 86 analytes representing different polyphenol classes milk. The sample preparation consisted liquid extraction, salting out, freeze-out, and dilution step. Overall, nearly 70% chemically diverse fulfilled all strict validation criteria for full assessment. remaining did not fulfill at every concentration level, but can still provide useful semi-quantitative insights into nutritional biomedical research questions. limits detection analyzed were range 0.0041–87 ng*mL −1 , with median 0.17 . Moreover, mean recovery determined be 82% signal suppression enhancement effect 117%. applied proof-of-principle study samples provided by twelve Nigerian mothers three distinct time points post-delivery. In total, 50 detected almost half being phenolic acids. Phase II metabolites, genistein-7-β-D-glucuronide, genistein-7-sulfate, daidzein-7-β-D-glucuronide, also several samples. conclusion, method demonstrated fit-for-purpose simultaneously (semi-) quantify wide variety It that various their biotransformation products present therefore likely transferred infants where they might impact microbiome development Graphical abstract

Язык: Английский

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Insights into the early-life chemical exposome of Nigerian infants and potential correlations with the developing gut microbiome

Environment International, Год журнала: 2024, Номер 188, С. 108766 - 108766

Опубликована: Май 22, 2024

Early-life exposure to natural and synthetic chemicals can impact acute chronic health conditions. Here, a suspect screening workflow anchored on high-resolution mass spectrometry was applied elucidate xenobiotics in breast milk matching stool samples collected from Nigerian mother-infant pairs (n = 11) at three time points. Potential correlations between xenobiotic the developing gut microbiome, as determined by 16S rRNA gene amplicon sequencing, were subsequently explored. Overall, 12,192 16,461 features acquired samples, respectively. Following quality control screening, 562 864 remained, respectively, with 149 of these present both matrices. Taking advantage 242 authentic reference standards measured for confirmatory purposes food bio-actives toxicants, 34 68 identified semi-quantified. Moreover, 51 78 annotated spectral library matching, well 416 652 silico fragmentation tools stool, The analytical proved its versatility simultaneously determine diverse panel chemical classes including mycotoxins, endocrine-disrupting (EDCs), antibiotics, plasticizers, perfluorinated alkylated substances (PFAS), pesticides although it originally optimized polyphenols. Spearman rank correlation revealed significant same classification such One-way ANOVA differential abundance analysis data obtained that molecules plant-based origin elevated when complementary foods introduced infants' diets. Annotated compounds tricetin, positively correlated genus Blautia. vulgaxanthin negatively Escherichia-Shigella. Despite limited sample size, this exploratory study provides high-quality matched biospecimens sub-Saharan Africa shows potential exposome microbiome.

Язык: Английский

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Bridging Targeted (Zeno MRM-HR) and Untargeted (SWATH) LC–HRMS in a Single Run for Sensitive Exposomics

Analytical Chemistry, Год журнала: 2024, Номер 96(31), С. 12710 - 12717

Опубликована: Июль 26, 2024

Traditionally, chemical exposure has been assessed by low-resolution mass spectrometry via targeted approaches due to the typically extremely low concentration of such compounds in biological samples. Nevertheless, untargeted are now becoming a promising tool for broader investigation exposome, covering additional compounds, their biotransformation products, and possible metabolic alterations (metabolomics). However, despite broad compound coverage, metabolomics still underperforms ultratrace biomonitoring analysis. To overcome these analytical limitations, we present development first combined targeted/untargeted LC-MS method, merging MRM-HR SWATH experiments one run, making use Zeno technology improved sensitivity. Multiple reaction monitoring transitions were optimized 135 highly diverse toxicants including mycotoxins, plasticizers, PFAS, personal care products ingredients, industrial side as well potentially beneficial xenobiotics phytohormones. As proof concept, standard reference materials human plasma (SRM 1950) serum 1958) analyzed with both + SWATH-only methodologies. Results demonstrated significant increase sensitivity represented detection lower levels spiked SRM (mean value: 2.2 3 times concentrations SRMs 1950 1958, respectively). Overall, frequency was increased 68% (19 32 positive detections) mode compared SWATH-only. This work presents avenue addressing outstanding key challenge small-molecule omics field: finding balance between high coverage. It exposomic applications but might be transferred lipidomics workflows.

Язык: Английский

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Quantifying Inhaled Concentrations of Particulate Matter, Carbon Dioxide, Nitrogen Dioxide, and Nitric Oxide Using Observed Biometric Responses with Machine Learning

BioMedInformatics, Год журнала: 2024, Номер 4(2), С. 1019 - 1046

Опубликована: Апрель 3, 2024

Introduction: Air pollution has numerous impacts on human health a variety of time scales. Pollutants such as particulate matter—PM1 and PM2.5, carbon dioxide (CO2), nitrogen (NO2), nitric oxide (NO) are exemplars the wider exposome. In this study, we adopted unique approach by utilizing responses autonomic systems to gauge abundance pollutants in inhaled air. Objective: To investigate how body autonomically responds microenvironments, including PM1, CO2, NO2, NO, small temporal spatial scales making use biometric observations response. test accuracy predicting concentrations these using biological measurements participants. Methodology: Two experimental approaches having similar methodology that employs suite capture physiological cyclists were compared, multiple sensors used measure air surrounding them. Machine learning algorithms estimate levels decipher body’s automatic reactions Results: We observed high precision CO2 limited set biometrics measured from participants, indicated with coefficient determination (R2) between estimated true values 0.99, 0.96, 0.98, respectively. Although predictions for NO2 NO reliable at lower concentrations, which was qualitatively, varied throughout data range. Skin temperature, heart rate, respiration rate common most influential concentration pollutants. Conclusion: Biometric can be quality components degrees also effect machine techniques. The results suggest requirement improve our models more comprehensive collection or advanced techniques two

Язык: Английский

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Early-life chemical exposome: Comprehensive strategies for wide-scope screening of organic compounds

TrAC Trends in Analytical Chemistry, Год журнала: 2024, Номер 180, С. 117903 - 117903

Опубликована: Авг. 9, 2024

Exposure to organic compounds during early-life stages can disrupt human development and increase susceptibility adverse health outcomes later in life. Despite evidence of these impacts, research has primarily focused on targeted analyses, missing the complex nature exposures. Comprehensive approaches are needed better characterize mixtures. Recent advances high-resolution mass spectrometry computational science have enabled comprehensive analysis numerous chemicals through wide-scope screening approaches, yet their application exposome studies is still limited. This review critically examines from past decade using investigate chemical exposome, emphasizing compounds. It evaluates each step analytical workflow, including sample collection, preparation, analysis, data processing, concludes with recommendations for future improve understanding its implications.

Язык: Английский

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The role of residual (veterinary) antibiotics in chemical exposome analysis: Current progress and future perspectives

Comprehensive Reviews in Food Science and Food Safety, Год журнала: 2025, Номер 24(2)

Опубликована: Фев. 4, 2025

Abstract Humans are exposed to a complex mixture of environmental and food‐related chemicals throughout their lifetime. Exposome research intends explore the nongenetic, that is, causes chronic disease interactions comprehensively. Residual antibiotics can enter human body through therapeutics, foods animal origin, aquatic products, or drinking water. In last decade, significant levels residual in urine have been described, demonstrating frequent exposure populations. To which extent they contribute health risks is debated. Human biomonitoring (HBM) aims determine quantify concentrations xenobiotics specimens provides toolbox monitor diverse chemical exposures. Due public implications, priority‐listed routinely monitored European Union other countries. However, antibiotics, an important class (food‐derived) xenobiotics, still not systematically investigated for better more holistic understanding context exposomics. This review comprehensive summary HBM related existing liquid chromatography–mass spectrometry (LC–MS)‐based analytical methods, potential caused by unintended exposure. Incorporating into exposome framework routine using multiclass methods will provide toxicological pharmacological effects and, ultimately, exposome.

Язык: Английский

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An Enhanced Protocol to Expand Human Exposome and Machine Learning-Based Prediction for Methodology Application

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

Опубликована: Фев. 10, 2025

The human exposome remains limited due to the challenging analytical strategies used reveal low-level endocrine-disrupting chemicals (EDCs) and their metabolites in serum urine. This limits integrity of EDC exposure assessment hinders understanding cumulative health effects. In this study, we propose an enhanced protocol based on multi-solid-phase extraction (multi-SPE) expand with polar EDCs train a machine learning (ML) model for methodology prediction molecular descriptors. measurement 70 (25%) 34 (12%) out 295 well-acknowledged urine compared hydrophilic–lipophilic balance sorbent alone. nontarget analysis from 20 women childbearing age cohort 498, controlling occupational factors daily behaviors high chemical potential, multi-SPE increased 10 (40%) 16 (53%) target identification 17 (77%) (36%) (confidence ≥ level 3) urine, respectively. Interestingly, ML predicted that could identify additional 38% most bioactive chemicals. conclusion, advances by expanding profiles.

Язык: Английский

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