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Extension of a biotic ligand model for predicting the toxicity of metalloid selenate to wheat: The effects of pH, phosphate and sulphate
Chemosphere ( IF 8.8 ) Pub Date : 2020-09-25 , DOI: 10.1016/j.chemosphere.2020.128424
Fangli Wang , Xuexia Wang , Qinghua Chen , Ningning Song

It has not been well understood that the influences of pH and accompanying anions on the toxicity of selenate (Se(VI)). The influences of pH and major anions on Se(VI) toxicity to wheat root elongation were determined and modeled based on the biotic ligand model (BLM) and free ion activity model (FIAM) concepts. Results showed that EC50[Se(VI)]T values increased from 162 to 251 μM as the pH values increased from 4.5 to 8.0, indicating that the pH increases alleviated the Se(VI) toxicity. The EC50{SeO42−} values increased from 133 to 203 μM while the EC50{HSeO4} values sharply decreased from 210 to 0.102 nM with the pH increasing from 4.5 to 8.0. The effect of pH on Se(VI) toxicity could be explained by the changes of Se(VI) species in different pH solutions as SeO42− and HSeO4were differently toxic to wheat root elongation. The toxicity of Se(VI) decreased with the increasing activities of H2PO4 and SO42− but not for NO3 and Cl activities, indicating that only H2PO4 and SO42− had competitive effects with Se(VI) on the binding sites. An extended BLM was developed to consider effects of pH, phosphate and sulphate, and stability constants of SeO42−, HSeO4, H2PO4 and SO42− to the binding sites were obtained: logKSeO4BL = 3.45, logKHSeO4BL = 5.98, logKH2PO4BL = 2.05, logKSO4BL = 1.85. Results implied that BLM performed much better than FIAM in the wheat root elongation prediction when coupling with toxic species SeO42− and HSeO4, and the competitions of H2PO4 and SO42− for the binding sites while developing the Se(VI)-BLM.



中文翻译:

扩展生物配体模型以预测硒酸准金属对小麦的毒性:pH,磷酸盐和硫酸盐的影响

尚未完全了解pH值和相关阴离子对硒酸盐(Se(VI))毒性的影响。基于生物配体模型(BLM)和自由离子活性模型(FIAM)的概念,确定并建模了pH和主要阴离子对Se(VI)对小麦根伸长的毒性的影响并进行了建模。结果表明,随着pH值从4.5升高到8.0,EC50 [Se(VI)] T值从162增加到251μM,表明pH值增加减轻了Se(VI)的毒性。EC50 {SeO 4 2- }值从133μM增加到203μM,而EC50 {HSeO 4 }值从210急剧降低至0.102 nM,pH从4.5升高至8.0。(VI)在不同的pH的溶液作为物种的SeO pH对硒(VI)的毒性的影响可以通过Se构成的变化来解释4 2-和HSeO 4 -是对小麦根伸长不同的毒性。硒的毒性(VI)与H的增加活性下降2 PO 4 -和SO 4 2-而不是NO 3 -和Cl -的活动,这表明只有ħ 2 PO 4 -和SO 4 2-与Se(VI)在结合位点上具有竞争作用。延长的BLM的开发是为了考虑pH值,磷酸盐和硫酸盐,和SEO的稳定常数的效果4 2-,HSeO 4 -,H 2 PO 4 -和SO 4 2-,获得的结合位点:日志ķ小号ËØ4大号 = 3.45,记录ķH小号ËØ4大号 = 5.98,记录ķH2PØ4大号 = 2.05,记录ķ小号Ø4大号 = 1.85。结果暗示,在BLM的小麦根伸长预测与联接时进行比FIAM好得多有毒物种的SeO 4 2-和HSeO 4 - ,和H的比赛2 PO 4 -和SO 4 2-的结合位点在开发Se(VI)-BLM。

更新日期:2020-10-05
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