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A multipronged QSAR approach to predict algal low-toxic-effect concentrations of substituted phenols and anilines
Ist Teil von
Journal of hazardous materials, 2018-02, Vol.344, p.893-901
Ort / Verlag
Netherlands: Elsevier B.V
Erscheinungsjahr
2018
Link zum Volltext
Quelle
Elsevier ScienceDirect Journals Complete
Beschreibungen/Notizen
[Display omitted]
•NOEC, IC50, and IC20 of 67 hazardous chemicals for algae were reported.•Both NOEC and IC20 are successfully modelled with empirical and theoretical descriptors.•Toxicity data and developed models have a potential to be used in risk assessment.
Environmental risk assessment procedures require acute and chronic toxicity values of hazardous chemicals. In this respect, the 96-h toxicity bioassays of nitro-, methyl-, methoxy-, chloro-, and nitrile- substituted phenols and anilines to Chlorella vulgaris were performed. Median inhibitory and low-toxic-effect concentrations were reported. Significant correlations between acute and chronic toxicities were found for the chemicals in the data set regardless of mode of action. Consequently, linear models employing theoretical and empirical descriptors were developed for the prediction of NOEC and IC20. The outcome of the study will be beneficial in the risk assessments of organic chemicals and setting water quality standards by the regulators.