Comprehensive Nontargeted Analysis of Drinking Water Supplies to Identify Chemicals Associated with Estrogen Receptor Agonism or Present in Regions of Elevated Breast Cancer Occurrence

Environmental Science & Technology, Journal Year: 2025, Volume and Issue: unknown

Published: March 5, 2025

To explore the hypothesis that differential exposures to estrogen active chemicals may contribute regional disparities in cancer incidence, a comprehensive targeted and nontargeted analysis was conducted over two seasons (2020) for drinking water samples from 120 households served by 8 public systems (4 with historically elevated breast incidence) 15 brands of retail water. All were analyzed using gas liquid chromatography high-resolution mass spectrometry bioassay receptor agonism. Target compounds included disinfection byproducts, per- polyfluoroalkyl substances (PFAS), trace elements, selected their possible relation cancer. Over 7500 GC LC molecular features passed all quality control filters each sampling season prioritized identification if they related measured agonism or present at higher levels areas high incidence (n = 1036). Benzothiazole-2-sulfonic acid, acetyl tributyl citrate, diphenyl sulfone among confirmed nontarget compounds. Nine polycyclic aromatic hydrocarbons ketone derivatives displayed significant negative correlations Many remained unidentified, as 84.4% 77.5% could not be annotated confidence.

Language: Английский

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Capturing temporal variation in aquatic ecotoxicological risks: Chemical- versus effect-based assessment

The Science of The Total Environment, Journal Year: 2025, Volume and Issue: 967, P. 178797 - 178797

Published: Feb. 12, 2025

The integration of effect-based and chemical profiling has been advocated to assess the potential ecotoxicological risks posed by mixtures present in aquatic ecosystems. However, concentrations contaminants surface waters can vary greatly over time space, making it challenging ensure risk assessment. Although first results are promising, not yet proven that these combined approaches also capable capturing temporal variation risks. study aimed test this combining passive time-integrative sampling with chemical-analytical techniques agricultural waterways. Silicone rubber sheets polar organic integrative samplers (POCIS) were deployed four water bodies consecutive six-week periods. Passive sampler extracts analysed using a battery 22 vitro vivo bioassays tandem extensive target analysis 225 compounds. induced fluctuating bioassay responses for all locations during periods, highlighting presence spatial toxic pressure. A range compounds, primarily fungicides herbicides, detected periods at variable concentrations, persistent but pressure regions. toxicity observed could solely be attributed chemicals 6 % cases those explaining only 1-16.9 effects, indicating predominantly caused undetected chemicals. Risk assessments based on revealed frequent exceedances trigger values It is concluded better capture variations than traditional analyses, advanced needed explain bioanalytical response profiles.

Language: Английский

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Machine Learning-based Classification for the Prioritization of Potentially Hazardous Chemicals with Structural Alerts in Nontarget Screening

Environmental Science & Technology, Journal Year: 2025, Volume and Issue: unknown

Published: March 7, 2025

Nontarget screening (NTS) with liquid chromatography high-resolution mass spectrometry (LC-HRMS) is commonly used to detect unknown organic micropollutants in the environment. One of main challenges NTS prioritization relevant LC-HRMS features. A novel strategy based on structural alerts select features that correspond potentially hazardous chemicals presented here. This leverages raw tandem spectra (MS2) and machine learning models predict probability alerts. The were trained fragments neutral losses from experimental MS2 data. feasibility this approach evaluated for two groups: aromatic amines organophosphorus neural network classification model achieved an Area Under Curve Receiver Operating Characteristics (AUC-ROC) 0.97 a true positive rate 0.65 test set. random forest AUC-ROC value 0.82 0.58 successfully applied prioritize surface water samples, showcasing high potential develop implement further.

Language: Английский

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Identify organic contaminants of high-concern based on non-targeted toxicity testing and non-targeted LC-HRMS analysis in tap water and source water along the Yangtze River

Water Research, Journal Year: 2024, Volume and Issue: 253, P. 121303 - 121303

Published: Feb. 10, 2024

Language: Английский

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High-Efficiency Effect-Directed Analysis Leveraging Five High Level Advancements: A Critical Review

Environmental Science & Technology, Journal Year: 2024, Volume and Issue: 58(23), P. 9925 - 9944

Published: May 31, 2024

Organic contaminants are ubiquitous in the environment, with mounting evidence unequivocally connecting them to aquatic toxicity, illness, and increased mortality, underscoring their substantial impacts on ecological security environmental health. The intricate composition of sample mixtures uncertain physicochemical features potential toxic substances pose challenges identify key toxicants samples. Effect-directed analysis (EDA), establishing a connection between found samples associated hazards, enables identification that can streamline research efforts inform management action. Nevertheless, advancement EDA is constrained by following factors: inadequate extraction fractionation samples, limited bioassay endpoints unknown linkage higher order impacts, coverage chemical (i.e., high-resolution mass spectrometry, HRMS), lacking effective bioassays analysis. This review proposes five advancements enhance efficiency addressing these challenges: (1) multiple adsorbents for comprehensive extraction, (2) microfractionation multidimensional refined fractionation, (3) robust vivo/vitro omics, (4) high-performance configurations HRMS analysis, (5) chemical-, data-, knowledge-driven approaches streamlined toxicant validation. We envision future will integrate big data artificial intelligence based development quantitative cutting-edge microfractionation, ultraperformance MS hazard factors, serving broader governance.

Language: Английский

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Influence of ozonation and UV/H2O2 on the genotoxicity of secondary wastewater effluents

The Science of The Total Environment, Journal Year: 2024, Volume and Issue: 919, P. 170883 - 170883

Published: Feb. 12, 2024

Language: Английский

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Identification of the estrogen-active compounds via integrating effect-directed analysis and non-target screening in soils of the northeastern China

Environmental Sciences Europe, Journal Year: 2024, Volume and Issue: 36(1)

Published: March 22, 2024

Abstract Background The gaps between estrogenic effect and its effect-active compounds exist frequently due to a large number of that have been reported induce this the occurrence pollutants in environments as mixtures. Therefore, identifying estrogen-active is importance for environmental management pollution treatment. In current study, effect-directed analysis (EDA) non-targeted screening (NTS) were integrated identify soils rural area with different socioeconomic types (industrial, farming plantation village) Northeast China. Results cytotoxicity results indicated industrial villages showed cytotoxic effects. detection rates effects samples winter summer 100% 87%, respectively. Of which, found be stronger than winter, significant difference observed from village (0.1–11.3 EEQ μg/kg dry weight). A total 159 chemicals detected by NTS. By integrating EDA, triphenyl phosphate (TPhP) indole successfully identified raw sample fraction, explaining up 19.31% estrogen activity. Conclusions present study demonstrates successful identification seven areas northeastern China can achieved through combination (NTS). This finding beneficial risk monitoring management.

Language: Английский

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Pioneering an Effect-Based Early Warning System for Hazardous Chemicals in the Environment

TrAC Trends in Analytical Chemistry, Journal Year: 2024, Volume and Issue: 180, P. 117901 - 117901

Published: Aug. 5, 2024

Existing regulatory frameworks often prove inadequate in identifying contaminants of emerging concern (CECs) and determining their impacts on biological systems at an early stage. The establishment Early Warning Systems (EWSs) for CECs is becoming increasingly relevant policy-making, aiming to proactively detect chemical hazards implement effective mitigation measures. Effect-based methodologies, including bioassays effect-directed analysis (EDA), offer valuable input EWSs with a view pinpointing the toxicity drivers prioritizing associated risks. This review evaluates analytical techniques currently available assess effects, provides structured plan systematic integration into EWS hazardous chemicals environment. Key scientific advancements effect-based approaches EDA are discussed, underscoring potential detection management hazards. Additionally, critical challenges such as data alignment addressed, emphasizing need continuous improvement incorporation safeguard environmental public health from threats.

Language: Английский

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Recent advances and challenges in the analysis of natural toxins

Advances in food and nutrition research, Journal Year: 2024, Volume and Issue: unknown, P. 67 - 144

Published: Jan. 1, 2024

Language: Английский

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Data driven multiple objective optimization of AAO process towards wastewater effluent biological toxicity reduction

npj Clean Water, Journal Year: 2024, Volume and Issue: 7(1)

Published: July 12, 2024

Abstract While the anaerobic-anoxic-oxic (AAO) process is most widely applied biological wastewater treatment in municipal plants (WWTPs), it struggles to meet increasing demands on toxicity control of treated effluent. To tackle this challenge, study develops machine learning (ML)-based models for optimizing AAO towards improving its reduction efficacy The water quality parameters, and information (based nematode bioassay) effluent collected from 122 WWTPs China are used train models. validated accurately predict effluent’s parameters (average R 2 = 0.81) ratio (R 0.86). further improve reduction, we developed a multiple objective optimization framework optimize via unit recombination. In short-range combination, four-unit combined processes (up 79.8% anaerobic-aerobic-anaerobic-aerobic) significantly higher than others. After optimization, helps average 48.6% 70.7%, with maximum 87.5%. methodologies findings derived work expected provide foundation expansion, technical transformation WWTPs.

Language: Английский

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