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取代苯甲醛衍生物的定量结构-活性关系(QSAR)研究

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS OF SUBSTITUTED BENZALDEHYDES

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【作者】 靳立军王连生

【Author】 Jin Lijun(State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085)Wang Liansheng(Department of Environmental Science and Engineering, Nanjing University, Nanjing

【机构】 中国科学院生态环境研究中心环境水化学国家重点实验室!北京100085南京大学环境科学与工程系!南京210093

【摘要】 本文研究了反应性化合物取代苯甲醛衍生物对大型蚤(Daphnia magna)的48h急性毒性,建立了定量结构-活性关系模型,探讨了其毒性作用机制,发现其毒性主要取决于笨环上取代基的Hammett电效应常数.模型预测结果与实验结果基本一致

【Abstract】 Acute toxicities of 17 substituted benzaldehydes to Daphnia. magna were determined. A quantitative structure-activity relationship was developed, which showed that the toxicity was influenced mainly by Hammett σ* values of the substituent groups attached to the carbon of benzene ring, This study further showed that benzaldehydes were reactive chemicals, which exhibited bioreactive toxicity . Result predicted by model was agreed with that of experiment.

【基金】 国家自然科学基金(批准号:29407052);中国博士后基金资助项目
  • 【文献出处】 环境化学 ,Environmental Chemistry , 编辑部邮箱 ,1999年02期
  • 【分类号】X17
  • 【被引频次】9
  • 【下载频次】164
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