Developing the relationship between metal ionic characters and ecological risk assessment screening values using QICAR

Metals are widely released and distributed in soil and may have a negative impact on terrestrial organisms. Over the past years, a series of criteria or standards for assessing the ecological risks and toxicity of metals have been published in many countries; however, few studies have investigated their metal ionic properties and toxicity. In the present study, the ecological risk assessment screening values (ERASV) recommended by the Oregon Department of Environmental Quality were selected to investigate the correlation between metal toxicity and their ionic characters based on the hard and soft acids and bases (HSAB) concept. The results showed that more ionic characters were significantly correlated with ERASV using the HSAB theory, while only one metal ionic characteristic was correlated with ERASV in organisms. For borderline metal ions, maximum complex stability constants (log βn) and the softness (δp) of borderline ions were correlated with ERASV, while log βn and electronegativity (Xm) were significantly related to ERASV for borderline plus hard ions, and the boiling point (BP) and electron density (AR/AW) (AR indicates atomic radius and AW is atomic mass) were significantly related to ERASV for borderline plus soft ions. These results indicated that different metal ion characteristics play different roles in different types of metal toxicity in organisms and the mechanisms of toxicity are different. Based on these relationships, a set of quantitative ion characteristic parameter-activity relationship (QICAR) was developed. The QICAR predicted ERASV for metals that were reasonably consistent with those recommended by the Oregon Department of Environmental Quality, with differences between them generally < 2.0 orders of magnitude. However, there were discrepancies between the recommended and predicted values, and these discrepancies may be related to terrestrial geochemical properties. These soil properties should be further considered when developing QICAR models in future studies, such as soil type, organic matter, and pH. Overall, the QICAR models were able to determine the relationships between metal ionic properties and their toxicity and will be useful for assessing toxicity data on unknown toxic metals and will provide a basis for ecological assessment.