Quantifying correlations of metal ionic characters with ecological soil screening levels (Eco-SSLs) of metals using QICAR models.

Soil pollution by heavy metals is a major challenge for soil ecosystems; therefore, many countries have published thresholds or standards for protecting soil organisms based on toxicity testing. However, there have been few studies on the mechanism of metal toxicity on organisms in soils, especially relationships between metal's ionic properties and its toxicity. Herein, we selected environmental soil screening levels (Eco-SSLs), which are internationally recognized ecotoxicity values recommended by the United States Environmental Protection Agency (USEPA), and investigated relationships between Eco-SSLs and metal ionic characteristics. The results showed that several ionic characteristics were significantly correlated with Eco-SSL using a classification of metal ions according to hard and soft acids and bases. Electrochemical potential, atomic ionization potential, the first hydrolysis constant, the maximum complex stability constant, a polarization force parameter and covalent radius showed significant correlations with Eco-SSLs for borderline plus hard ions, while the soft index exhibited significant fitting for borderline plus soft ions, suggesting that ionic bonding and covalent bonding played important roles in metal toxicity on borderline plus hard ions and soft ions, respectively. Then, we chose characteristics that had the strongest correlations with Eco-SSLs, and developed quantitative ion character-activity relationship (QICAR) for soil organisms. The QICARs predicted Eco-SSLs for metals that were reasonably consistent with those recommended by USEPA, with differences between them generally <0.5 orders of magnitude. Overall, QICAR provide a basis for ecological risk assessment and could be useful to interpret relationships between metal's ionic properties and its toxicity.