[Quantitative structure-activity relationships and joint toxicity of substituted biphenyls].
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 (IgK(ow)) 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.
Wang
Bin
B
State Key Laboratory of Pollution Control and Resource Reuse, School of Environment, Nanjing University, Nanjing 210093, China.
Zhao
Jin-song
JS
Yu
Ya-juan
YJ
Wang
Xiao-dong
XD
Wang
Lian-sheng
LS
D000818:Animals; D001713:Biphenyl Compounds / Q000737:chemistry* / Q000633:toxicity*; D003621:Daphnia / Q000187:drug effects*; D008956:Models, Chemical; D008962:Models, Theoretical; D021281:Quantitative Structure-Activity Relationship
D001713:Biphenyl Compounds; C010574:biphenyl