2. Academic Validation
  3. Toxicity evolution and control for the UV/H2O2 degradation of nitrogen-containing heterocyclic compounds: SDZ and PMM

Toxicity evolution and control for the UV/H2O2 degradation of nitrogen-containing heterocyclic compounds: SDZ and PMM

  • Chemosphere. 2023 Jul 17;139541. doi: 10.1016/j.chemosphere.2023.139541.
Xinke Zhang 1,  Junjie Guo 2,  Yao Huang 3,  Gang Lu 4
Affiliations

Affiliations

  • 1 School of Environment, Guangdong Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou, 510632, China. Electronic address: 1401315934@qq.com.
  • 2 School of Environment, Guangdong Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou, 510632, China. Electronic address: 1127224336@qq.com.
  • 3 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.
  • 4 School of Environment, Guangdong Key Laboratory of Environmental Pollution and Health, Jinan University, Guangzhou, 510632, China. Electronic address: tlugang@jnu.edu.cn.
PMID: 37467855 DOI: 10.1016/j.chemosphere.2023.139541
Abstract

This study aimed to achieve toxicity control of sulfadiazine (SDZ) and pirimiphos-methyl (PMM) via the UV/H2O2 process by optimizing the reaction parameters. The results show that both drugs had a good degradation effect under the following parameters: a H2O2 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 μW/cm2) and neutral conditions, SDZ showed highest toxicity, whereas PMM showed lowest toxicity under the lowest UV light intensity (450 μW/cm2) 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.

Keywords

DFT calculations; NHCs; Toxicity control; Transformation products; UV/H(2)O(2).

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