Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS
Pesticides and pharmaceuticals are widely used in modern life and are discharged into wastewater after usage. However, a large number of transformation products (TPs) are formed through abiotic (hydrolysis/photolysis, etc.) and biotic (aerobic/anaerobic degradation by micro-organisms) wastewater tre...
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doaj-b13c5484d2ed43e69c2a55f4cddbc3f12020-11-25T00:37:32ZengElsevierEnvironment International0160-41202020-04-01137Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MSXuebing Wang0Nanyang Yu1Jingping Yang2Ling Jin3Huiwei Guo4Wei Shi5Xiaowei Zhang6Liuyan Yang7Hongxia Yu8Si Wei9State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of ChinaState Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of ChinaLaboratory of Immunology and Reproductive Biology, School of Medicine, Nanjing University, Nanjing, People's Republic of ChinaDepartment of Civil and Environmental Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong KongState Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of ChinaState Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of ChinaState Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of ChinaState Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of ChinaState Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of ChinaState Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Nanjing, People’s Republic of China; Corresponding author.Pesticides and pharmaceuticals are widely used in modern life and are discharged into wastewater after usage. However, a large number of transformation products (TPs) are formed through abiotic (hydrolysis/photolysis, etc.) and biotic (aerobic/anaerobic degradation by micro-organisms) wastewater treatment processes, and the structure and potential risk of TPs are still unclear. In this study, a suspect and non-target screening was performed to monitor these chemicals with HPLC-QTOF-MS. We identified 60 parent compounds by suspect screening in three Chinese wastewater treatment plants with the commercial database of pesticides and pharmaceuticals, and they were confirmed by authentic standards. Then, suspect and non-target screening strategies based on the predicted diagnostic fragment ions were used to screen TPs of the 60 parent compounds. We tentatively identified 50 TPs and confirmed thirteen of them with authentic standards. Among 13 quantified TPs, about 40% of them showed higher concentration than their parent compounds in effluent. Especially, cloquintocet, as a TP of cloquintocet-mexyl, had a concentration ratio TP/parent = 14,809 in effluent. Twenty-five TPs had higher predicted toxicity than the corresponding parent compounds by calculating their LC50 values towards aquatic organisms using toxicity prediction software. Twenty identified TPs were firstly reported in this study. These results indicate the importance of TP analysis in environmental monitoring in wastewater. Keywords: Non-target screening, Transformation products, Toxicity, Wastewater, QTOF-MShttp://www.sciencedirect.com/science/article/pii/S016041201933346X |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Xuebing Wang Nanyang Yu Jingping Yang Ling Jin Huiwei Guo Wei Shi Xiaowei Zhang Liuyan Yang Hongxia Yu Si Wei |
spellingShingle |
Xuebing Wang Nanyang Yu Jingping Yang Ling Jin Huiwei Guo Wei Shi Xiaowei Zhang Liuyan Yang Hongxia Yu Si Wei Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS Environment International |
author_facet |
Xuebing Wang Nanyang Yu Jingping Yang Ling Jin Huiwei Guo Wei Shi Xiaowei Zhang Liuyan Yang Hongxia Yu Si Wei |
author_sort |
Xuebing Wang |
title |
Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS |
title_short |
Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS |
title_full |
Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS |
title_fullStr |
Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS |
title_full_unstemmed |
Suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using QTOF-MS |
title_sort |
suspect and non-target screening of pesticides and pharmaceuticals transformation products in wastewater using qtof-ms |
publisher |
Elsevier |
series |
Environment International |
issn |
0160-4120 |
publishDate |
2020-04-01 |
description |
Pesticides and pharmaceuticals are widely used in modern life and are discharged into wastewater after usage. However, a large number of transformation products (TPs) are formed through abiotic (hydrolysis/photolysis, etc.) and biotic (aerobic/anaerobic degradation by micro-organisms) wastewater treatment processes, and the structure and potential risk of TPs are still unclear. In this study, a suspect and non-target screening was performed to monitor these chemicals with HPLC-QTOF-MS. We identified 60 parent compounds by suspect screening in three Chinese wastewater treatment plants with the commercial database of pesticides and pharmaceuticals, and they were confirmed by authentic standards. Then, suspect and non-target screening strategies based on the predicted diagnostic fragment ions were used to screen TPs of the 60 parent compounds. We tentatively identified 50 TPs and confirmed thirteen of them with authentic standards. Among 13 quantified TPs, about 40% of them showed higher concentration than their parent compounds in effluent. Especially, cloquintocet, as a TP of cloquintocet-mexyl, had a concentration ratio TP/parent = 14,809 in effluent. Twenty-five TPs had higher predicted toxicity than the corresponding parent compounds by calculating their LC50 values towards aquatic organisms using toxicity prediction software. Twenty identified TPs were firstly reported in this study. These results indicate the importance of TP analysis in environmental monitoring in wastewater. Keywords: Non-target screening, Transformation products, Toxicity, Wastewater, QTOF-MS |
url |
http://www.sciencedirect.com/science/article/pii/S016041201933346X |
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