Non-target screening and priority assessment of organic pollutants in tropical island watershed water
Numerous organic chemicals are present in aquatic environments, yet systematically identifying and prioritizing these compounds remains a major challenge, particularly in tropical island watersheds where data are scarce. In this study, we applied high-resolution mass spectrometry (HRMS)-based non-ta...
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| Format: | Article |
| Language: | English |
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Elsevier
2025-09-01
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| Series: | Ecotoxicology and Environmental Safety |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S0147651325012175 |
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| author | Zhongyuan Gao Shiyi Zhang Chengzhong Fu Jun Xiang Guanli Ma Yulan Xiong Langqin Gao Huadong Zhang Shengli Wang Bin Tang Ling Mo Licheng Wang Jing Zheng |
| author_facet | Zhongyuan Gao Shiyi Zhang Chengzhong Fu Jun Xiang Guanli Ma Yulan Xiong Langqin Gao Huadong Zhang Shengli Wang Bin Tang Ling Mo Licheng Wang Jing Zheng |
| author_sort | Zhongyuan Gao |
| collection | DOAJ |
| description | Numerous organic chemicals are present in aquatic environments, yet systematically identifying and prioritizing these compounds remains a major challenge, particularly in tropical island watersheds where data are scarce. In this study, we applied high-resolution mass spectrometry (HRMS)-based non-target screening to comprehensively characterize emerging organic pollutants in three major rivers of Hainan Province—Changhua, Wanquan, and Nandu. A total of 177 high-confidence compounds were identified, spanning pharmaceuticals, industrial additives, pesticides, and natural products. To apportion pollutant sources, we employed non-negative matrix factorization (NMF), which revealed distinct anthropogenic signatures across the rivers, including domestic sewage, pharmaceutical discharges, and agricultural runoff. Using an integrated Toxicological Priority Index (ToxPi), we further prioritized 29 substances of elevated concern (ToxPi > 4.41, i.e., Mean + SD), such as stearic acid, tretinoin, and ethyl myristate, based on their detection frequency, relative abundance, bioconversion half-life, bioconcentrating factor, bioaccumulation factor, and predicted no-effect concentrations (PNECs).This study presents one of the first systematic applications of HRMS-based non-target screening combined with machine learning (NMF) and semi-quantitative risk scoring (ToxPi) in a tropical island river system. The findings offer novel insights into the chemical fingerprint of such understudied ecosystems and establish a replicable framework for pollution assessment and prioritization under data-limited conditions. This work provides a critical foundation for targeted pollution control, helping to balance ecological protection with ongoing regional development. |
| format | Article |
| id | doaj-art-8cde7459ea7f4b3cbf3db421e2ecbd2e |
| institution | Kabale University |
| issn | 0147-6513 |
| language | English |
| publishDate | 2025-09-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Ecotoxicology and Environmental Safety |
| spelling | doaj-art-8cde7459ea7f4b3cbf3db421e2ecbd2e2025-08-20T05:04:10ZengElsevierEcotoxicology and Environmental Safety0147-65132025-09-0130311887210.1016/j.ecoenv.2025.118872Non-target screening and priority assessment of organic pollutants in tropical island watershed waterZhongyuan Gao0Shiyi Zhang1Chengzhong Fu2Jun Xiang3Guanli Ma4Yulan Xiong5Langqin Gao6Huadong Zhang7Shengli Wang8Bin Tang9Ling Mo10Licheng Wang11Jing Zheng12College of Earth and Environmental Sciences, Lanzhou University, Lanzhou 730000, China; The Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaThe Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaThe Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaWater Quality Monitoring Section, Hainan Research Academy of Environmental Sciences and Hainan Provincial Environmental Monitoring Center, Haikou 571126, ChinaThe Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaThe Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaThe Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaThe Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaCollege of Earth and Environmental Sciences, Lanzhou University, Lanzhou 730000, China; Corresponding authors.The Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaWater Quality Monitoring Section, Hainan Research Academy of Environmental Sciences and Hainan Provincial Environmental Monitoring Center, Haikou 571126, China; Corresponding authors.Water Quality Monitoring Section, Hainan Research Academy of Environmental Sciences and Hainan Provincial Environmental Monitoring Center, Haikou 571126, ChinaThe Key Laboratory of Environmental Pollution Health Risk Assessment, Research Center of Emerging Contaminants, South China Institute of Environmental Sciences, Ministry of Ecology and Environment, Guangzhou 510655, PR ChinaNumerous organic chemicals are present in aquatic environments, yet systematically identifying and prioritizing these compounds remains a major challenge, particularly in tropical island watersheds where data are scarce. In this study, we applied high-resolution mass spectrometry (HRMS)-based non-target screening to comprehensively characterize emerging organic pollutants in three major rivers of Hainan Province—Changhua, Wanquan, and Nandu. A total of 177 high-confidence compounds were identified, spanning pharmaceuticals, industrial additives, pesticides, and natural products. To apportion pollutant sources, we employed non-negative matrix factorization (NMF), which revealed distinct anthropogenic signatures across the rivers, including domestic sewage, pharmaceutical discharges, and agricultural runoff. Using an integrated Toxicological Priority Index (ToxPi), we further prioritized 29 substances of elevated concern (ToxPi > 4.41, i.e., Mean + SD), such as stearic acid, tretinoin, and ethyl myristate, based on their detection frequency, relative abundance, bioconversion half-life, bioconcentrating factor, bioaccumulation factor, and predicted no-effect concentrations (PNECs).This study presents one of the first systematic applications of HRMS-based non-target screening combined with machine learning (NMF) and semi-quantitative risk scoring (ToxPi) in a tropical island river system. The findings offer novel insights into the chemical fingerprint of such understudied ecosystems and establish a replicable framework for pollution assessment and prioritization under data-limited conditions. This work provides a critical foundation for targeted pollution control, helping to balance ecological protection with ongoing regional development.http://www.sciencedirect.com/science/article/pii/S0147651325012175Non-target screeningOrganic pollutantsTropical island watershedsToxicological priority indexPollution control |
| spellingShingle | Zhongyuan Gao Shiyi Zhang Chengzhong Fu Jun Xiang Guanli Ma Yulan Xiong Langqin Gao Huadong Zhang Shengli Wang Bin Tang Ling Mo Licheng Wang Jing Zheng Non-target screening and priority assessment of organic pollutants in tropical island watershed water Ecotoxicology and Environmental Safety Non-target screening Organic pollutants Tropical island watersheds Toxicological priority index Pollution control |
| title | Non-target screening and priority assessment of organic pollutants in tropical island watershed water |
| title_full | Non-target screening and priority assessment of organic pollutants in tropical island watershed water |
| title_fullStr | Non-target screening and priority assessment of organic pollutants in tropical island watershed water |
| title_full_unstemmed | Non-target screening and priority assessment of organic pollutants in tropical island watershed water |
| title_short | Non-target screening and priority assessment of organic pollutants in tropical island watershed water |
| title_sort | non target screening and priority assessment of organic pollutants in tropical island watershed water |
| topic | Non-target screening Organic pollutants Tropical island watersheds Toxicological priority index Pollution control |
| url | http://www.sciencedirect.com/science/article/pii/S0147651325012175 |
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