A QSAR-ICE-SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories.
A QSAR-ICE-SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories.
复制标题
QSAR-ICE-SSD模型对PNEC的QSAR-SSD模型预测在电镀工厂的地区和多氟烷基物质及其生态风险。
DOI：
10.3390/molecules26216574
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发表时间：
2021-10-30
期刊：
影响因子：
--
通讯作者：
Shi J
中科院分区：
文献类型：
--
作者：
Zhang J;Zhang M;Tao H;Qi G;Guo W;Ge H;Shi J
Per- and polyfluoroalkyl substances (PFASs) are a class of highly fluorinated aliphatic compounds that are persistent and bioaccumulate, posing a potential threat to the aquatic environment. The electroplating industry is considered to be an important source of PFASs. Due to emerging PFASs and many alternatives, the acute toxicity data for PFASs and their alternatives are relatively limited. In this study, a QSAR–ICE–SSD composite model was constructed by combining quantitative structure-activity relationship (QSAR), interspecies correlation estimation (ICE), and species sensitivity distribution (SSD) models in order to obtain the predicted no-effect concentrations (PNECs) of selected PFASs. The PNECs for the selected PFASs ranged from 0.254 to 6.27 mg/L. The ΣPFAS concentrations ranged from 177 to 983 ng/L in a river close to an electroplating industry in Shenzhen. The ecological risks associated with PFASs in the river were below 2.97 × 10−4.
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影响因子：
1.8
作者：
Kienzler, Aude;Halder, Marlies;Worth, Andrew
通讯作者：
Worth, Andrew
影响因子：
3.4
作者：
Klimisch, HJ;Andreae, M;Tillmann, U
通讯作者：
Tillmann, U
影响因子：
9.8
作者：
Ferrari, Thomas;Lombardo, Anna;Benfenati, Emilio
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Benfenati, Emilio
影响因子：
11.4
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Jin, Xiaowei;Wang, Yeyao;Wang, Zijian
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Wang, Zijian
评估人类和多氟烷基物质的生态风险：当前的科学和拟议的路径。
影响因子：
4.1
作者：
Ankley GT;Cureton P;Hoke RA;Houde M;Kumar A;Kurias J;Lanno R;McCarthy C;Newsted J;Salice CJ;Sample BE;Sepúlveda MS;Steevens J;Valsecchi S
通讯作者：
Valsecchi S