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The joint action of binary mixtures of cetyltrimethyl ammonium chloride (CTAC), a cationic surfactant, and six aromatic hydrocarbons (AHs) on green algae Chlorella vulgaris was investigated. In single systems, inhibition efficiency of CTAC on the growth of algae was much higher than that of AHs (benzene, toluene, phenol, nitrobenzene, phenanthrene and fluoranthene). In combined systems, the toxicity...
The DFT-based descriptors were used to derive the quantitative structure–activity relationship (QSAR) models enabling the calculated quantum chemistry parameters to be correlated to the toxicity of quaternary ammonium compounds (QACs) on green alga Chlorella vulgaris. DFT/B3LYP level of theory with the 6-31G(d) basis set was applied to calculate a set of quantum chemistry descriptors for 11 QACs....
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