| 摘要: |
| 污水中内分泌干扰效应对生态系统的不利影响已引起广泛关注,应对其加强管控以削减下游生态风险。识别污水中内分泌干扰效应化合物是进行风险评估和管控前提,但目前污水中内分泌干扰效应化合物识别方法还不明确。本文介绍了从识别化合物结构到甄别内分泌干扰效应化合物的自上而下识别策略和从甄别效应再进行化合物结构鉴定的自下而上两种识别策略。自上而下策略中,可疑物筛查方法和非靶向筛查方法是识别未知化合物结构的主要方法。构建可疑物清单是可疑物筛查的关键,综合利用非靶向筛查的各种软件工具有利于环境样品未知结构化合物识别。自下而上策略中,效应导向分析是较成熟的识别方法。另外,近年发展的机器学习算法可以基于环境样品质谱谱图预测获得内分泌干扰效应活性结果,这极大地简化了效应导向分析流程。本综述为全面识别污水中内分泌干扰效应化合物并采取有效的控制策略提供了参考方法。 |
| 关键词: 内分泌干扰效应化合物 污水 识别 自上而下 自下而上 非靶向筛查 |
| DOI： |
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| 基金项目:国家自然科学基金项目（面上项目，重点项目，重大项目）,中国博士后科学基金,国家重点基础研究发展计划（973计划）,国家博士后研究员计划项目B类，江苏省卓越博士后项目 |
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| Advances on identification methods of endocrine disrupting compounds in wastewater |
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Xu-Xiang Zhang
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| Abstract: |
| The adverse effects of endocrine-disrupting compounds (EDCs) in wastewater on ecosystems have garnered great concerns, necessitating stricter management to mitigate downstream ecological risks. The identification of EDCs in wastewater is a prerequisite for risk assessment and control. However, the current methods for addressing this issue are not well-established. This article presents a comprehensive overview of two strategies for EDC identification: a top-down approach that starts with compound structure identification and proceeds to evaluate their endocrine-disrupting effects, and a bottom-up approach that begins with effect-directed analysis and then determines the structure of compounds. For the top-down strategy, screening methods for suspected compounds and non-targeted screening techniques are the primary means to identify unknown compounds. Building a list of suspects is crucial, and the integration of various non-targeted screening software aids in recognizing unidentified compounds in environmental samples. The bottom-up approach relies on effect-directed analysis, which is a mature and widely used method. Recently, machine learning algorithms have advanced to directly predict EDC activity classifications from environmental sample mass spectrometry data, streamlining the effect-directed analysis processes. The present review provides a reference for the comprehensive identification of EDCs in wastewater, which is beneficial to effective control EDCs in wastewater. |
| Key words: Endocrine-disrupting compounds, sewage, identification, top-down approach, down-top approach, nontarget screening |
