南方科技大学知识苑(SUSTech KC): A QSAR-ICE-SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories

题名	A QSAR-ICE-SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories
作者	Zhang, Jiawei1,2 ; Zhang, Mengtao1 ; Tao, Huanyu 1,2 ; Qi, Guanjing1 ; Guo, Wei1,3 ; Ge, Hui1 ; Shi, Jianghong1
通讯作者	Ge, Hui; Shi, Jianghong
发表日期	2021-11-01
DOI	10.3390/molecules26216574
发表期刊	MOLECULES 影响因子和分区
EISSN	1420-3049
卷号	26 期号:21
摘要	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 sigma PFAS 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 x 10(-4).
关键词	PFASs QSAR-ICE-SSD electroplating industry ecological risk assessment
相关链接	[来源记录]
收录类别	SCI
语种	英语
学校署名	第一 ; 通讯
资助项目	Ministry of Science and Technology of the People's Republic of China["2018YFC1801603","2018YFC1801605"] ; Science, Technology and Innovation Commission of Shenzhen Municipality[JCYJ20170817110953833] ; National Natural Science Foundation of China[21976079,41977325]
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry
WOS类目	Biochemistry & Molecular Biology ; Chemistry, Multidisciplinary
WOS记录号	WOS:000720031800001
出版者	MDPI
ESI学科分类	CHEMISTRY
来源库	Web of Science
引用统计	被引频次[WOS]：7
成果类型	期刊论文
条目标识符	http://sustech.caswiz.com/handle/2SGJ60CL/256835
专题	工学院_环境科学与工程学院
作者单位	1.Southern Univ Sci & Technol, Sch Environm Sci & Engn, State Environm Protect Key Lab Integrated Surface, Shenzhen 518055, Peoples R China 2.Univ Hong Kong, Environm Engn Res Ctr, Dept Civil Engn, Hong Kong 999077, Peoples R China 3.Beijing Univ Technol, Key Lab Beijing Water Qual Sci & Water Environm R, Beijing 100124, Peoples R China
第一作者单位	环境科学与工程学院
通讯作者单位	环境科学与工程学院
第一作者的第一单位	环境科学与工程学院
推荐引用方式 GB/T 7714	Zhang, Jiawei,Zhang, Mengtao,Tao, Huanyu,et al. A QSAR-ICE-SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories[J]. MOLECULES,2021,26(21).
APA	Zhang, Jiawei.,Zhang, Mengtao.,Tao, Huanyu.,Qi, Guanjing.,Guo, Wei.,...&Shi, Jianghong.(2021).A QSAR-ICE-SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories.MOLECULES,26(21).
MLA	Zhang, Jiawei,et al."A QSAR-ICE-SSD Model Prediction of the PNECs for Per- and Polyfluoroalkyl Substances and Their Ecological Risks in an Area of Electroplating Factories".MOLECULES 26.21(2021).