Use of QSAR and SSD methods on deriving predicted no-effect concentrations in seawater and sediment for ten individual parent-and alkyl-PAHs and a case study on the assessment of their ecological risks from the Dalian Bay, China

作     者：Ying Wang Xing Liu Yi Cong Jin Fei Juying Wang Dian Zhang Liang Liu Jingli Mu Ziwei Yao Ying Wang;Xing Liu;Yi Cong;Jin Fei;Juying Wang;Dian Zhang;Liang Liu;Jingli Mu;Ziwei Yao

作者机构：Key Laboratory for Ecological Environment in Coastal Areas of Ministry of Ecology and EnvironmentNational Marine Environmental Monitoring CenterDalian 116023China State Key Laboratory of Environmental Chemistry and EcotoxicologyResearch Center for Eco-Environmental SciencesChinese Academy of SciencesBeijing 100085China Third Institute of OceanographyMinistry of Natural ResourcesXiamen 361005China 

出 版 物：《Acta Oceanologica Sinica》 (海洋学报（英文版）)

年 卷 期：2020年第39卷第12期

页      面：95-105页

核心收录：

学科分类：083002[工学-环境工程] 0830[工学-环境科学与工程（可授工学、理学、农学学位）] 07[理学] 08[工学] 09[农学] 0903[农学-农业资源与环境] 0713[理学-生态学] 

基　　金：The National Key Research and Development Program of China under contract No.2016YFC1402305 the Postdoctoral Research Foundation of China under contract No.2016M601148 the Scientific Research Special Fund of Marine Public Welfare Industry under contract No.201305002 

主　　题：alkyl-PAHs QSARs PNECs ecological risks Dalian Bay 

摘      要：Parent and alkylated polycyclic aromatic hydrocarbons(alkyl-PAHs),which are a class of important toxic components of crude oil especially in the marine environment,exhibit adverse effects on aquatic life and potentially pose a human health ***,the lack of chronic toxicity data is one of the hindrances for alkylPAHs when assessing their ecological *** this study,predicted no-effect concentrations(PNECs)in seawater and marine sediment for ten parent-and alkyl-PAHs were derived by applying species sensitivity distributions(SSDs)and quantitative structure-activity relationships(QSARs).The local area,Dalian Bay,where an oil-spilled accident happened in 2010,was chosen as a case site to assess ecological risks for ten PAHs in surface seawaters and marine *** PNECs in seawater and sediment for protecting aquatic organisms in marine ecosystems were calculated and recommended in the range of 0.012-2.79μg/L and 48.2-1337 ng/g(dry weight),***,the derived PNECs for the studied PAHs in seawater and marine sediment were comparable to those obtained by classical *** quotient results indicate low ecological risks to ecosystems for ten parent-and alkyl-PAHs in surface seawaters and surface sediments from the Dalian *** findings provide a first insight into the PNECs and ecological risks of alkyl-PAHs,emphasizing the role of the computational toxicology in ecological risk *** use of QSARs has been identified as a valuable tool for preliminarily assessing ecological risks of emerging pollutants,being more predictable of real exposure scenarios for risk assessment purposes.