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Organophosphate esters (OPEs) are emerging contaminants that serve as alternatives to regulated substances in aquatic environments. A nationwide large-scale assessment for OPEs, including point sources, remains insufficient. To address this issue, we aimed to investigate OPEs occurrence and novel OPEs via comprehensive target, suspect and non-target analysis. Among the 11 target OPEs, 10 were detected at sampling sites distributed evenly nationwide. The highest mean concentrations were measured for tris-(2-butoxyethyl) phosphate (TBOEP) and tris(2-chloroisopropyl) phosphate (TCIPP). The multivariate statistical analysis revealed that TBOEP and TCIPP are essential components for assessing total OPEs pollution. The systematic risk assessment results evaluated the overall risk contribution of TBOEP and the significant risk impact of 2-ethylhexyl diphenyl phosphate. Promising suspect and non-target analysis enabled frequent detection and identification of 6 antioxidant transformation products (TPs), as well as the tentative identification of 14 OPEs and TPs, including 3 di-OPEs. Based on sampling site classification, we confirmed that major OPEs are significantly discharged near point sources. We believe that this is the first attempt to assess the nationwide risk and potential sources of OPEs in Korean surface waters, providing insights that could support further prioritization and regulation efforts.
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http://dx.doi.org/10.1016/j.chemosphere.2024.143579 | DOI Listing |
Anal Bioanal Chem
September 2025
Environmental Forensics and Metabolomics Laboratory, Department of Environmental and Resource Engineering, Technical University of Denmark, Bygningstorvet, Building 115, Kongens Lyngby, 2800, Hovedstaden, Denmark.
In this study, we develop and present an open-access LC-electrospray-HRMS/MS forward in silico fragmentation spectral library, based on the NORMAN Suspect List Exchange containing 120,514 chemicals, that can be used for level 3 annotations to support elucidation of the dark molecular features detected in environmental, exposomic, food safety, and forensic investigations. Using these forward generated in silico spectral libraries, several pollutants previously unreported in non-targeted workflows were discovered in groundwater for the first time through retrospective non-targeted screening analysis. Among these are xenobiotics such as hexafluoroacetone, hexazinone metabolites A, B, and C, and transformation products of triflusulfuron, fluazifop-butyl, triallate, and propiconazole.
View Article and Find Full Text PDFEnviron Sci Technol Lett
August 2025
Department of Civil & Environmental Engineering, University of Iowa, 4105 Seamans Center, Iowa City, Iowa 52242, United States.
Effluent-dominated streams are increasingly common in temperate regions and have potential for adverse ecological and human health effects. Nontarget analysis (NTA) using high resolution mass spectrometry (HRMS) is an emerging approach to examine complex chemical mixtures in the environment. Here, we leveraged archived samples previously analyzed for 154 target contaminants in a well-studied temperate region effluent-dominated stream and compared target results with suspected compounds from NTA.
View Article and Find Full Text PDFJ Hazard Mater
August 2025
College of Environmental Science and Engineering, Beijing Forestry University, Beijing 100083, China. Electronic address:
Hospital wastewater (HWW) is a significant source of pollutants in aquatic environments and potentially toxic to ecosystems. To provide a scientific basis for the effective management and pollution control of HWW, this study selected a special psychiatric hospital (Hospital 1) and a medium general hospital (Hospital 2) on the basis of previous research, both with high environmental risk (mixed risk quotient values of effluent wastewater exceeding 1), as the subjects. Using ultraperformance liquid chromatography quadrupole time-flight mass spectrometry (UPLC-QTOF-MS), a total of 126 and 301 suspected substances were identified in wastewater effluent from Hospital 1 and Hospital 2, respectively, with 141 substances listed in existing regulatory frameworks.
View Article and Find Full Text PDFEnviron Res
August 2025
Huzhou Center for Disease Control and Prevention, Key Laboratory of Emergency Detection for Public Health, Huzhou 313000, China. Electronic address:
The persistent environmental presence of per- and polyfluoroalkyl substances (PFAS) in aquatic systems has raised concerns regarding their potential threat to drinking water safety. However, our understanding of PFAS distribution within drinking water systems remains limited. This study employed a combination of targeted, suspect, and non-targeted screening techniques to investigate the distribution of PFAS in 16 drinking water treatment plants (DWTPs) supplied by two distinct water sources: the Yangtze River and Lake Taihu and its surrounding water bodies.
View Article and Find Full Text PDFMar Pollut Bull
August 2025
Key Laboratory of Environmental Remediation and Ecological Health, Ministry of Industry and Information Technology, School of Environmental and Biological Engineering, Nanjing University of Science and Technology, Nanjing 210094, China. Electronic address:
Organophosphate esters (OPEs), including triesters (OPTEs) and diesters (OPDEs), are widely used as flame retardants and plasticizers, but the vertical distribution of OPEs in marine sediments remains largely unexplored. To address this, we developed an effective strategy for target, suspect, and non-target screening of OPTEs and OPDEs with ultrahigh-performance liquid chromatography-Q Exactive hybrid quadrupole-Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS). This study reports 17 OPTEs and 10 OPDEs, including five OPTEs and six OPDEs that were detected for the first time in sediment cores from the East China Sea.
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