Abstract
There are often many chemicals coexisting in aquatic ecosystems, and information the joint toxicity of a mixture of organic pollutants on microorganisms is scarce at present. Acute toxicity of aromatic anilines and phenols and their mixtures to alga was determined by the algae inhibition test. The median effective inhibition concentration EC50 values for single compounds and EC50mix values for binary and multiple mixtures were obtained. The joint toxic effects of mixtures were estimated by using mixture toxicity index method. The structural descriptors of the n-octanol/water partition coefficient (log P mix) and the frontier orbital energy gap (ΔE mix) for mixtures were calculated. Based on the quantitative structure–activity relationship model for single chemical toxicity log(1/EC50) = 0.579log P − 0.783ΔE + 8.966 (n = 11, r 2 = 0.923), the following two-descriptor model was developed for the toxicity of a mixture: log(1/EC50mix) = 0.416log P mix − 0.584ΔE mix + 7.530 (n = 27, r 2 = 0.944). This model can be used successfully to predict the toxicity of a mixture, whether binary mixtures in variant toxic ratios (4:1, 2:1, 1:1, 1:2 and 1:4) or multiple mixtures of three or four chemicals at an equitoxic ratio are used as predictors.
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This work was supported by Program for New Century Excellent Talents in University (05-0481) and the National Natural Science Foundation of China.
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Lu, G., Wang, C., Tang, Z. et al. Joint toxicity of aromatic compounds to algae and QSAR study. Ecotoxicology 16, 485–490 (2007). https://doi.org/10.1007/s10646-007-0153-1
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DOI: https://doi.org/10.1007/s10646-007-0153-1