净水技术2025，Vol.44Issue(6)：100-107,124,9.DOI:10.15890/j.cnki.jsjs.2025.06.012
污水处理厂中新污染物的非靶向分析及风险筛查
Non-Targeted Analysis and Risk Screening for Emerging Contaminants in WWTPs
摘要
Abstract
[Objective]As an important source and sink of emerging contaminants,municipal wastewater treatment plants(WWTPs)are a key barrier to controlling the discharge of emerging contaminants.Emerging contaminants in the wastewater treatment process generate transformation products through a variety of pathways,which are diverse and structurally complex,making it difficult for traditional targeted analysis to meet the detection requirements.The current non-targeted analysis technology is rapidly developing,but faces the challenge of targeting substances of interest from the huge amount of data.[Methods]In this study,the non-targeted analysis method of high-resolution tandem mass spectrometry was applied to screen emerging contaminants with environmental and health risks from the extracted molecular features.By reflecting the similarity between mass spectra,molecular networks had shown innovative applications in identifying transformation products.[Results]Six sets of samples were collected from a large-scale WWTP in Shanghai,i.e.,total influent,pretreatment effluent,primary sedimentation tank effluent,bioreactor effluent,advanced treatment effluent and total effluent.A total of 1 262 positive molecular features and 2 078 negative molecular features were extracted from all the samples of the WWTP.After filtering,identifying and manually checking the molecular features,a total of 710 molecular features were tentatively identified as compounds.Through the hazard data screening,five compounds were labeled with danger signs among the compounds with high structural search scores,and these five substances were phytosphingosine,3-methyl-2-oxobutanoic acid,pyrocatechol,m-cresol,and nicotine.The high-risk contaminants were further used as central nodes to construct molecular networks for high-efficiency identification of known and unknown transformation products.[Conclusion]This paper identifies high-risk emerging contaminants in wastewater through a non-targeted analysis workflow and explores their potential diverse transformation products,which will provide technical support and data references for the subsequent management of emerging contaminants.关键词
新污染物/污水处理厂(WWTP)/非靶向分析/环境风险/分子网络Key words
emerging contaminants/wastewater treatment plant(WWTP)/non-targeted analysis/environmental risk/molecular network分类
建筑与水利引用本文复制引用
李彧博..污水处理厂中新污染物的非靶向分析及风险筛查[J].净水技术,2025,44(6):100-107,124,9.基金项目
上海城投水务科研项目(KY.PS.23.003) （KY.PS.23.003）
上海市"科技创新行动计划"项目(23DZ1203504) （23DZ1203504）
上海市"超级博士后"激励计划(2022494) （2022494）
