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可疑物筛查和监管数据库:识别新出现的微量污染物的强大组合。

Suspect Screening and Regulatory Databases: A Powerful Combination To Identify Emerging Micropollutants.

机构信息

Department of Aquatic Sciences and Assessment , Swedish University of Agricultural Sciences (SLU) , Box 7050, SE-75007 Uppsala , Sweden.

Institute of Soil Science and Land Evaluation, Soil Chemistry and Pedology , University of Hohenheim , Emil-Wolff-Straße 27 , 70599 Stuttgart , Germany.

出版信息

Environ Sci Technol. 2018 Jun 19;52(12):6881-6894. doi: 10.1021/acs.est.7b06598. Epub 2018 Jun 5.

Abstract

This study demonstrates that regulatory databases combined with the latest advances in high resolution mass spectrometry (HRMS) can be efficiently used to prioritize and identify new, potentially hazardous pollutants being discharged into the aquatic environment. Of the approximately 23000 chemicals registered in the database of the National Swedish Product Register, 160 potential organic micropollutants were prioritized through quantitative knowledge of market availability, quantity used, extent of use on the market, and predicted compartment-specific environmental exposure during usage. Advanced liquid chromatography (LC)-HRMS-based suspect screening strategies were used to search for the selected compounds in 24 h composite samples collected from the effluent of three major wastewater treatment plants (WWTPs) in Sweden. In total, 36 tentative identifications were successfully achieved, mostly for substances not previously considered by environmental scientists. Of these substances, 23 were further confirmed with reference standards, showing the efficiency of combining a systematic prioritization strategy based on a regulatory database and a suspect-screening approach. These findings show that close collaboration between scientists and regulatory authorities is a promising way forward for enhancing identification rates of emerging pollutants and expanding knowledge on the occurrence of potentially hazardous substances in the environment.

摘要

本研究表明,监管数据库与最新的高分辨率质谱(HRMS)技术相结合,可以有效地用于优先考虑和识别新的、潜在危险的污染物,这些污染物被排放到水生态环境中。在国家瑞典产品注册数据库中注册的大约 23000 种化学物质中,通过对市场可获得性、使用量、市场使用程度以及在使用过程中预测特定环境暴露的定量知识,优先考虑了 160 种潜在的有机微污染物。先进的液相色谱(LC)-高分辨率质谱(HRMS)基于嫌疑筛查策略,用于在从瑞典三个主要污水处理厂(WWTP)的流出物中收集的 24 小时复合样本中搜索选定的化合物。总共成功实现了 36 个暂定鉴定,主要是针对以前未被环境科学家考虑的物质。在这些物质中,有 23 种物质进一步用参考标准进行了确认,这表明了结合基于监管数据库的系统优先级策略和嫌疑筛查方法的效率。这些发现表明,科学家和监管机构之间的密切合作是提高新兴污染物识别率和扩大环境中潜在危险物质出现知识的一种很有前途的方法。

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