PMID- 37467855 OWN - NLM STAT- MEDLINE DCOM- 20230809 LR - 20230809 IS - 1879-1298 (Electronic) IS - 0045-6535 (Linking) VI - 338 DP - 2023 Oct TI - Toxicity evolution and control for the UV/H(2)O(2) degradation of nitrogen-containing heterocyclic compounds: SDZ and PMM. PG - 139541 LID - S0045-6535(23)01808-8 [pii] LID - 10.1016/j.chemosphere.2023.139541 [doi] AB - This study aimed to achieve toxicity control of sulfadiazine (SDZ) and pirimiphos-methyl (PMM) via the UV/H(2)O(2) process by optimizing the reaction parameters. The results show that both drugs had a good degradation effect under the following parameters: a H(2)O(2) molar ratio of 1:200, and neutral conditions. SDZ and PMM could be degraded by more than 99% within 3 min, respectively. In the Daphnia magna acute toxicity assay and Vibrio fischeri inhibition assay, both SDZ and PMM exhibited a phenomenon of increasing toxicity. Additionally, through the use of density functional theory (DFT) calculation and HPLC-QTOF-MS, 21 transformation products (TPs) were identified, and the principal degradation pathways were proposed. The toxicity of the TPs was determined by comparing the QSAR prediction results with toxicity test data. As a result, under the higher UV light intensity (2300 muW/cm(2)) and neutral conditions, SDZ showed highest toxicity, whereas PMM showed lowest toxicity under the lowest UV light intensity (450 muW/cm(2)) and neutral conditions. Four main toxic TPs were identified, and their yields could be reduced by adjusting the reaction parameters. Therefore, the selection of appropriate reaction parameters could reduce the production of toxic TPs and ensure the safety of water environment. CI - Copyright (c) 2023. Published by Elsevier Ltd. FAU - Zhang, Xinke AU - Zhang X AD - School of Environment, Guangdong Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou, 510632, China. Electronic address: 1401315934@qq.com. FAU - Guo, Junjie AU - Guo J AD - School of Environment, Guangdong Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou, 510632, China. Electronic address: 1127224336@qq.com. FAU - Huang, Yao AU - Huang Y AD - Guangdong Key Laboratory of Integrated Agro-environmental Pollution Control and Management, Institute of Eco-environmental and Soil Sciences, National-Regional Joint Engineering Research Center for Soil Pollution Control and Remediation in South China, Guangdong Academy of Sciences, Guangzhou, 510650, China. Electronic address: yhuang@soil.gd.cn. FAU - Lu, Gang AU - Lu G AD - School of Environment, Guangdong Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou, 510632, China. Electronic address: tlugang@jnu.edu.cn. LA - eng PT - Journal Article DEP - 20230717 PL - England TA - Chemosphere JT - Chemosphere JID - 0320657 RN - BBX060AN9V (Hydrogen Peroxide) RN - 0N7609K889 (Sulfadiazine) RN - N762921K75 (Nitrogen) RN - 29232-93-7 (pirimiphos methyl) RN - 0 (Heterocyclic Compounds) RN - 0 (Water Pollutants, Chemical) SB - IM MH - Hydrogen Peroxide MH - Oxidation-Reduction MH - Ultraviolet Rays MH - Sulfadiazine MH - Nitrogen MH - *Heterocyclic Compounds MH - *Water Pollutants, Chemical/toxicity/analysis OTO - NOTNLM OT - DFT calculations OT - NHCs OT - Toxicity control OT - Transformation products OT - UV/H(2)O(2) COIS- Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper. EDAT- 2023/07/20 01:06 MHDA- 2023/08/09 06:43 CRDT- 2023/07/19 19:23 PHST- 2023/04/14 00:00 [received] PHST- 2023/06/06 00:00 [revised] PHST- 2023/07/15 00:00 [accepted] PHST- 2023/08/09 06:43 [medline] PHST- 2023/07/20 01:06 [pubmed] PHST- 2023/07/19 19:23 [entrez] AID - S0045-6535(23)01808-8 [pii] AID - 10.1016/j.chemosphere.2023.139541 [doi] PST - ppublish SO - Chemosphere. 2023 Oct;338:139541. doi: 10.1016/j.chemosphere.2023.139541. Epub 2023 Jul 17.