Prediction of Metal Ion Toxicity Using Ion Characteristics

Abstract

Mathematical models have been proposed to relate median lethal concentrations of metal cations with respect to daphnia and nematodes to their physicochemical characteristics (descriptors). The most informative descriptors quantitatively related to the toxicity of metal cations for Daphnia magna and Caenorhabditis elegans have been found to be the negative logarithm of the first hydrolysis constant, negative logarithm of the solubility product of the corresponding sulfides, and stability constant of the metal complex with ethylenediamine. The linear regression equations for the median lethal concentrations of metal ions for Daphnia magna and Caenorhabditis elegans can be used as predictive correlations due to their significant predictive ability.