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利用杂色沙蟹(Heterocypris sp.)鉴定 Cr 和 Ni 的单一和联合急性毒性及定量构效关系(QSAR)模型。

Identification of the single and combined acute toxicity of Cr and Ni with Heterocypris sp. and the quantitative structure-activity relationship (QSAR) model.

机构信息

School of Resources Environment and Safety Engineering, University of South China, Hengyang, China.

School of Mathematics and Physics, University of South China, Hengyang, China.

出版信息

PLoS One. 2024 Mar 21;19(3):e0300800. doi: 10.1371/journal.pone.0300800. eCollection 2024.

Abstract

Mining wastewater with heavy metals poses a serious threat to the ecological environment. However, the acute single and combined ecological effects of heavy metals, such as chromium (Cr) and nickel (Ni), on freshwater ostracods, and the development of relevant prediction models, remain poorly understood. In this study, Heterocypris sp. was chosen to investigate the single and combined acute toxicity of Cr and Ni. Then, the quantitative structure-activity relationship (QSAR) model was used to predict the combined toxicity of Cr and Ni. The single acute toxicity experiments revealed high toxicity for both Cr and Ni. In addition, Cr exhibited greater toxicity compared to Ni, as evidenced by its lower 96-hour half-lethal concentration (LC50) of 1.07 mg/L compared to 4.7 mg/L for Ni. Furthermore, the combined acute toxicity experiments showed that the toxicity of Cr-Ni was higher than Ni but lower than Cr. Compared with the concentration addition (CA) and independent action (IA) models, the predicted results of the QSAR model were more consistent with the experimental results for the Cr-Ni combined acute toxicity. So, the high accuracy of QSAR model identified its feasibility to predict the toxicity of heavy metal pollutants in mining wastewater.

摘要

重金属采矿废水对生态环境构成严重威胁。然而,人们对铬 (Cr) 和镍 (Ni) 等重金属对淡水介形类动物的单一和联合急性生态效应,以及相关预测模型的发展仍知之甚少。在本研究中,选用了异形真珠贝来研究 Cr 和 Ni 的单一和联合急性毒性。然后,使用定量结构-活性关系 (QSAR) 模型来预测 Cr 和 Ni 的联合毒性。单一急性毒性实验表明 Cr 和 Ni 均具有高毒性。此外,Cr 的毒性大于 Ni,其 96 小时半致死浓度 (LC50) 为 1.07mg/L,而 Ni 的 LC50 为 4.7mg/L。此外,联合急性毒性实验表明 Cr-Ni 的毒性高于 Ni,但低于 Cr。与浓度加和 (CA) 和独立作用 (IA) 模型相比,QSAR 模型的预测结果与 Cr-Ni 联合急性毒性的实验结果更为一致。因此,QSAR 模型的高精度表明其具有预测采矿废水中重金属污染物毒性的可行性。

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