Quantitative structure-activity relationships and joint toxicity of substituted biphenyls

Bin Wang*, Jin song Zhao, Ya juan Yu, Xiao dong Wang, Lian sheng Wang

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

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 (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.

Original languageEnglish
Pages (from-to)89-93
Number of pages5
JournalHuanjing Kexue/Environmental Science
Volume25
Issue number3
Publication statusPublished - May 2004
Externally publishedYes

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