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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
【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.
【关键词】 取代苯甲醛衍生物;
大型蚤;
毒性机制;
定量结构-活性关系;
【Key words】 substituted benzaldehvdes; D. magna; action mechanism; QSAR.;
【Key words】 substituted benzaldehvdes; D. magna; action mechanism; QSAR.;
【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