Study of the simulated sunlight photolysis mechanism of ketoprofen: the role of superoxide anion radicals, transformation byproducts, and ecotoxicity assessment.
Study of the simulated sunlight photolysis mechanism of ketoprofen: the role of superoxide anion radicals, transformation byproducts, and ecotoxicity assessment.
复制标题
DOI：
10.1039/c7em00111h
复制
发表时间：
2017-09
期刊：
影响因子：
--
通讯作者：
Yingfei Wang;Wenna Deng;Fengliang Wang;Yuehan Su;Yiping Feng;Ping Chen;Jingshuai Ma;Haiying Su;Kun Yao;Yang Liu;Wenying Lv;Guoguang Liu
中科院分区：
文献类型：
--
作者：
Yingfei Wang;Wenna Deng;Fengliang Wang;Yuehan Su;Yiping Feng;Ping Chen;Jingshuai Ma;Haiying Su;Kun Yao;Yang Liu;Wenying Lv;Guoguang Liu
本研究的目的是研究酮洛芬（KET）在模拟阳光下的光解机制。结果表明，KET 的光解符合伪一级动力学。自由基清除实验和溶解氧实验表明，超氧阴离子自由基（O2˙-）在纯水中的光解过程中起主要作用。碳酸氢盐通过产生碳酸盐自由基略微增加了 KET 的光降解，而 DOM 通过衰减光和竞争自由基来抑制光解作用。此外，珠江水抑制了KET的光转化。基于使用 LC/MS/MS 和 GC/MS 技术鉴定产物，提出了潜在的 KET 降解途径。反应位点的理论预测源自前沿电子密度（FED），主要涉及 KET 脱羧反应。采用大型溞和费氏弧菌作为生物指标评价处理后溶液的生态毒性。生态毒性还通过“生态结构-活性关系”（ECOSAR）计划进行了假设性预测，该计划揭示了光解过程中可能会产生有毒产物。
The aim of this study was to investigate the photolysis mechanism of ketoprofen (KET) under simulated sunlight. The results demonstrated that the photolysis of KET aligned well with pseudo first-order kinetics. Radical scavenging experiments and dissolved oxygen experiments revealed that the superoxide anion radical (O2˙-) played a primary role in the photolytic process in pure water. Bicarbonate slightly increased the photodegradation of KET through generating carbonate radicals, while DOM inhibited the photolysis via both attenuating light and competing radicals. Moreover, Zhujiang river water inhibited KET phototransformation. Potential KET degradation pathways were proposed based on the identification of products using LC/MS/MS and GC/MS techniques. The theoretical prediction of reaction sites was derived from Frontier Electron Densities (FEDs), which primarily involved the KET decarboxylation reaction. The ecotoxicity of the treated solutions was evaluated by employing Daphnia magna and V. fischeri as biological indicators. Ecotoxicity was also hypothetically predicted through the "ecological structure-activity relationship" (ECOSAR) program, which revealed that toxic products might be generated during the photolysis process.