Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(6), С. 114983 - 114983
Опубликована: Ноя. 29, 2024
Язык: Английский
Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(6), С. 114983 - 114983
Опубликована: Ноя. 29, 2024
Язык: Английский
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
Процитировано
0Environmental Chemistry and Ecotoxicology, Год журнала: 2025, Номер unknown
Опубликована: Фев. 1, 2025
Язык: Английский
Процитировано
0Environmental Pollution, Год журнала: 2025, Номер unknown, С. 126076 - 126076
Опубликована: Март 1, 2025
Язык: Английский
Процитировано
0Environment & Health, Год журнала: 2025, Номер unknown
Опубликована: Март 17, 2025
Язык: Английский
Процитировано
0Analytical Chemistry, Год журнала: 2025, Номер unknown
Опубликована: Май 22, 2025
Over 70% of organic halogens, representing chlorine- and bromine-containing disinfection byproducts (Cl-/Br-DBPs), remain unidentified after 50 years research. This work introduces a streamlined cloud-based exposomics workflow that integrates high-resolution mass spectrometry (HRMS) analysis, multistage machine learning, cloud computing for efficient analysis characterization Cl-/Br-DBPs. In particular, the learning structure employs progressively different heavy isotopic peaks at each layer capture distinct characteristics nonhalogenated compounds Cl-/Br-compounds halogenation levels. innovative approach enables recognition 22 types with up to 6 Br 8 Cl atoms. To address data imbalance among classes, particularly limited number heavily chlorinated brominated compounds, perturbation is performed generate hypothetical/synthetic molecular formulas containing multiple atoms, facilitating augmentation. further benefit environmental chemistry community computational experience hardware access, above innovations are incorporated into HalogenFinder (http://www.halogenfinder.com/), user-friendly, web-based platform Cl-/Br-compound characterization, statistical support via MetaboAnalyst. benchmarking, outperformed two established tools, achieving higher rate 277 authentic uniquely identifying Cl/Br laboratory tests DBP mixtures, it identified 72 Cl-/Br-DBPs proposed structures, which eight were confirmed chemical standards. A retrospective 2022 finished water HRMS revealed insightful temporal trends in Cl-DBP features. These results demonstrate HalogenFinder's effectiveness advancing identification science exposomics.
Язык: Английский
Процитировано
0Journal of Hazardous Materials, Год журнала: 2025, Номер 494, С. 138792 - 138792
Опубликована: Май 30, 2025
Язык: Английский
Процитировано
0Journal of Hazardous Materials, Год журнала: 2025, Номер unknown, С. 138812 - 138812
Опубликована: Июнь 1, 2025
Язык: Английский
Процитировано
0Environmental Science & Technology, Год журнала: 2024, Номер unknown
Опубликована: Ноя. 24, 2024
The occurrence of organophosphorus compounds has garnered global concern due to their widespread production and potential environmental risks. Limited structural information hindered a comprehensive understanding composition. By characteristic fragmentation-based nontarget analysis, the composition organothiophosphate esters (OTPEs), which are antiwear additives in lubricant oils that have received little attention previously, were investigated dust from automotive repair shops surrounding buildings. Fourteen OTPEs tentatively identified, including four triarylphosphorothionates, six
Язык: Английский
Процитировано
1Journal of environmental chemical engineering, Год журнала: 2024, Номер 12(6), С. 114983 - 114983
Опубликована: Ноя. 29, 2024
Язык: Английский
Процитировано
0