Non-target screening and priority assessment of organic pollutants in tropical island watershed water.

Journal: Ecotoxicology and environmental safety
Published Date: Aug 18, 2025

Abstract

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.

Authors

  • Zhongyuan Gao
    College 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 China.
  • Shiyi Zhang
    Department of Psychiatry, the First Affiliated Hospital, Zhejiang University School of Medicine, Hangzhou 310003, China; The Key Laboratory of Mental Disorder Management in Zhejiang Province, Hangzhou 310003, China.
  • Chengzhong Fu
    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 China.
  • Jun Xiang
    State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology, 430074 Wuhan, Hubei, China.
  • Guanli Ma
    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 China.
  • Yulan Xiong
    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 China.
  • Langqin Gao
    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 China.
  • Huadong Zhang
    Chongqing Center for Disease Control and Prevention, Department of Occupational Health and Radiation Health, Chongqing 400042, China.
  • Shengli Wang
    Department of Clinical Nutrition, The Third People's Hospital of Bengbu, Bengbu, Anhui, China.
  • Bin Tang
    Basic Medical College , Southwest Medical University , Luzhou , Sichuan , China.
  • Ling Mo
    Water Quality Monitoring Section, Hainan Research Academy of Environmental Sciences and Hainan Provincial Environmental Monitoring Center, Haikou 571126, China. Electronic address: morning.mL@163.com.
  • Licheng Wang
    Water Quality Monitoring Section, Hainan Research Academy of Environmental Sciences and Hainan Provincial Environmental Monitoring Center, Haikou 571126, China.
  • Jing Zheng
    Shandong Institute for Food and Drug Control, Jinan 250101, China.

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