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| 基于金属理化性质与土壤生态毒性基准值关系的QICAR模型研究 |
| Correlation analysis between intrinsic properties of metals with soil ecological receptor toxicity criteria （SERTC）using the QICAR model |
| 投稿时间：2019-10-14 |
| DOI：10.13254/j.jare.2019.0508 |
| 中文关键词: 定量离子特征-活度关系(QICAR)模型，金属，基准，软硬酸碱理论(HSAB)，土壤生物 |
| 英文关键词: quantitative ion character-activity relationship(QICAR)model, metals, criteria, hard and soft acids and bases(HSAB), soil organism |
| 基金项目:国家自然科学基金（41877496） |
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| 中文摘要: |
| 土壤金属污染给生态和人类健康造成直接或间接的风险，多个国家制定了土壤生态风险基准以保护土壤生态安全和人类健康，但很少研究关注金属内在理化性质与其相关基准值之间的关系。本研究以美国能源部橡树岭实验室制定的10种金属元素的土壤生态受体毒性基准（SERTC）为例，在依据软硬酸碱理论对金属离子进行分组的基础上，探索了土壤金属生态毒性基准值与其内在理化性质之间的关系。结果表明，不同分组下多个金属离子结构参数与土壤生态毒性基准值具有很好的相关性，其中AR/AW、Z/r、lg（-βn）、Z/AR2和ΔE0等离子键参数与硬金属离子的毒性基准值具有显著相关性（0.35 < R2 < 0.960，P<0.1），Xm2r及σp等共价键参数与软金属离子基准值显著相关，说明离子键和共价键对硬离子和软离子毒性大小有重要影响。基于此建立了离子结构参数与土壤生态毒性基准的定量离子特征-活度关系（QICAR）模型，该模型可为其他未知生态毒性金属基准值的制定提供依据。 |
| 英文摘要: |
| Soil metal pollution poses direct and indirect risks to terrestrial organisms and human health; therefore, evaluating metal toxicity on organisms in the environment is critical. Many countries have published toxicity standards for protecting terrestrial organisms and human health. However, few studies have focused on the mechanism of metal toxicity, especially the relationships between the intrinsic properties of metal ions and metal toxicity. In the present study, the soil ecological receptor toxicity criteria(SERTC)recommended by the United States Department of Energy Oak Ridge Laboratory was assessed, and the relationships between metal ionic characteristics and metal toxicity were investigated. The results showed that more characteristics were significantly correlated with metal toxicity with classification of metal ions based on hard and soft acids. AR/AW, Z/r, lg(-βn), Z/AR2, and ΔE0 exhibited a strong association with hard ions, whereas Xm2r and σp showed the best fits for soft ions, suggesting that ionic and covalent bonding played an important role in the toxicity of hard and soft ions, respectively. A set of quantitative ion character-activity relationships(QICAR)model were then developed based on these related metal ionic characters. In conclusion, the QICAR model better revealed the relationships between the intrinsic properties of metals and their toxicity, and it would be useful to compensate the lack of other metals with unknown toxicity and to provide a basis for establishing soil standards. |
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