| 取代联苯的定量结构活性相关及联合毒性研究 |
| |
| 引用本文： | 王斌,赵劲松,郁亚娟,王晓栋,王连生.取代联苯的定量结构活性相关及联合毒性研究[J].环境科学,2004,25(3):89-93. |
| |
| 作者姓名： | 王斌 赵劲松 郁亚娟 王晓栋 王连生 |
| |
| 作者单位： | 南京大学环境学院污染控制与资源化国家重点实验室,南京,210093;南京大学环境学院污染控制与资源化国家重点实验室,南京,210093;南京大学环境学院污染控制与资源化国家重点实验室,南京,210093;南京大学环境学院污染控制与资源化国家重点实验室,南京,210093;南京大学环境学院污染控制与资源化国家重点实验室,南京,210093 |
| |
| 基金项目： | 国家自然科学基金项目(20177008);国家"863"高科技项目(2001AA640601-4);欧盟国际合作项目(ICA4-CT-2001-10039) |
| |
| 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.
|
| 关 键 词： | 联苯 大型蚤 定量结构活性相关 联合毒性 浓度相加 |
| 文章编号： | 0250-3301(2004)03-0089-05 |
| 收稿时间： | 2003/7/14 0:00:00 |
| 修稿时间： | 2003/9/22 0:00:00 |
Quantitative Structure-Activity Relationships and Joint Toxicity of Substituted Biphenyls |
| |
| WANG Bin,ZHAO Jin-song,YU Ya-juan,WANG Xiao-dong and WANG Lian-sheng.Quantitative Structure-Activity Relationships and Joint Toxicity of Substituted Biphenyls[J].Chinese Journal of Environmental Science,2004,25(3):89-93. |
| |
| Authors: | WANG Bin ZHAO Jin-song YU Ya-juan WANG Xiao-dong and WANG Lian-sheng |
| |
| Institution: | State Key Laboratory of Pollution Control and Resource Reuse, School of Environment, Nanjing University, Nanjing 210093, China. |
| |
| Abstract: | 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. |
| |
| Keywords: | biphenyl Daphnia magna QSAR joint toxicity concentration addition |
| 本文献已被 CNKI 维普 万方数据 PubMed 等数据库收录！ |
| 点击此处可从《环境科学》浏览原始摘要信息 |
| 点击此处可从《环境科学》下载免费的PDF全文 |
|
