苯二氮类药物地西泮的水相光解转化机制

杨滨; KOOKANA R S; 应光国

doi:10.6054/j.jscnun.2018011

苯二氮类药物地西泮的水相光解转化机制

1.
1.华南师范大学环境研究院,广州 510006
2.
2.澳大利亚联邦科学与工业研究组织水土研究所,阿德莱德5064,澳大利亚;
3.
3.华南师范大学化学与环境学院//环境理论化学教育部重点实验室,广州 510006

详细信息

通讯作者:
杨滨，副研究员，Email:bin.yang@m.scnu.edu.cn

中图分类号: o644.1;X52
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出版历程
- 收稿日期: 2017-12-24
- 刊出日期: 2018-02-24

Photochemical Transformation of Diazepam in Aqueous Solution

1.
1. The Environmental Research Institute;South China Normal University,Guangzhou 510006,China;
2.
2. Commonwealth Scientific and Industrial Research Organization Land and Water,Adelaide 5064,Australia;
3.
3. MOE Key Laboratory of Theoretical Chemistry of Environment//School of Chemistry and Environment,South China Normal University,Guangzhou 510006,China

More Information

Corresponding author:
YANG B, Email:bin.yang@m.scnu.edu.cn

摘要

摘要: 模拟紫外光解和太阳光解水相中典型苯二氮?类镇静催眠药物地西泮，对其去除效率、转化产物及毒性进行了实验研究. 地西泮可以被紫外光（波长254 nm）有效去除，其紫外光解的光量子产率为2.32(0.17)10-3 mol/Einstein. 地西泮对模拟太阳光解（波长300~400 nm）具有较强的稳定性，在90 min光照时间内无任何降解. 采用高分辨飞行时间质谱监测到65个地西泮紫外光解产物，其中49个紫外光解产物在电喷雾离子化正模式下检出，16个在负模式下检出. 根据产物鉴定的结果和光解反应的特性，地西泮在紫外光解作用下可能会发生8种转化途径，反应机制主要包括羟基取代反应、水解反应、脱甲基反应、脱苯基反应、七元杂环开环反应以及环化反应. 通过计算毒理学模型预测，生成的主要紫外光解产物对鱼、水蚤和绿藻的水生生物毒性增加.
- 毒性
Abstract: The photochemical transformation of diazepam, one of the most known benzodiazepines, has been conducted in aqueous solution to investigate the removal rate, identify the reaction products and evaluate their toxicity. Diazepam can be effectively removed by UV light photolysis at 254 nm, with the quantum yield of 2.32(0.17)10-3 mol/Einstein. Diazepam has been found to be relatively stable in 90 min simulated sunlight irradiation (300-400 nm). Sixty-five products were identified for UV photolysis of diazepam using a high-resolution accurate-mass TripleTOF system. Among them, 49 products were identified in positive electrospray ionization mode, and 16 in the negative electrospray ionization mode. On the basis of the products identification and phototranformation behaviour, 8 plausible reaction pathways were proposed for degradation of diazepam during UV photolysis process. Structural changes to the diazepam molecule included hydroxylation, hydrolyzation, N-demethylation, loss of phenyl group, benzodiazepine ring rearrangement and contraction. Toxicity evaluation using USEPA EPI Suite? software indicated that the toxicity of the main phototransformation products was increased than that of the parent compound diazepam.
- toxicity e

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