| 取代联苯的定量结构活性相关及联合毒性研究 |
| 摘要点击 1244 全文点击 1342 投稿时间：2003-07-14 修订日期：2003-09-22 |
| 查看HTML全文
查看全文 查看/发表评论 下载PDF阅读器 |
| 中文关键词 联苯 大型蚤 定量结构活性相关 联合毒性 浓度相加 |
| 英文关键词 biphenyl Daphnia magna QSAR joint toxicity concentration addition |
|
| 中文摘要 |
| 测定了18种取代联苯对大型蚤(Daphnia magna)24h的单一毒性(24h-EC50)及其混合物联合毒性.对单一毒性进行了定量结构活性相关(QSAR)分析,建立了辛醇-水分配系数(lgKow)模型,理论线性溶剂化能相关(TLSER)模型及量子化学参数模型,表明量子化学参数模型能很好地预测取代联苯的单一毒性.混合物联合毒性研究表明,取代联苯的联合毒性机制为浓度相加效应,并且根据浓度相加预测了混合物半数抑制浓度(EC50mix),预测值与实验值非常吻合. |
| 英文摘要 |
| The single toxicities (24h-EC50) and mixture toxicities of 18 substituted biphenyls to Daphnia magna were tested. Quantitative structure-activity relationships (QSARs) were developed from the single toxicities. Octanol-water partition coefficient (lgKow) model, theoretical linear solvation energy relationship (TLSER) model and quantum chemistry parameter model were built for these compounds. It was found that the quantum chemistry parameter model had a good predictive capability. The study of mixture toxicities of substituted biphenyls showed that the joint toxicity mechanism was concentration addition. Half effective concentrations of mixtures (EC50mix) were predicted according to concentration addition. The predicted and observed values coincided rather well. |
