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Long-Range Transport, Trophic Transfer, and Ecological Risks of Organophosphate Esters in Remote Areas 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 15, 页码: 10192-10209
Authors:  Fu, Jie;  Fu, Kehan;  Chen, Yu;  Li, Xiaomin;  Ye, Tong;  Gao, Ke;  Pan, Wenxiao;  Zhang, Aiqian;  Fu, Jianjie
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emerging organic pollutants  The Arctic  The Antarctic  oceans  aquatic food chain  bioaccumulation  metabolism  biomagnification  
In silico health effect prioritization of environmental chemicals through transcriptomics data exploration from a chemo-centric view 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 762, 页码: -
Authors:  Liu, Xian;  Zhang, Huazhou;  Xue, Qiao;  Pan, Wenxiao;  Zhang, Aiqian
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Computational toxicology  Environmental chemicals  Health effects prioritization  In silico model  Transcriptomics  
The formation of PBDFs from the ortho-disubstituted phenol precursors: A comprehensive theoretical study on the PBDD/Fs formation from 2,4,6-tribromophenol 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 713, 页码: 1-6
Authors:  Chang, Jiamin;  Pan, Wenxiao;  Liu, Xian;  Xue, Qiao;  Fu, Jianjie;  Zhang, Aiqian
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PBDD/TS  Formation mechanism  Ortho-disubstituted phenol precursor  Density functional theory study  
A novel computational solution to the health risk assessment of air pollution via joint toxicity prediction: A case study on selected PAH binary mixtures in particulate matters 期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 170, 页码: 427-435
Authors:  Liu, Xian;  Zhang, Huazhou;  Pan, Wenxiao;  Xue, Qiao;  Fu, Jianjie;  Liu, Guorui;  Zheng, Minghui;  Zhang, Aiqian
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Computational solution  Health risk  Joint toxicity  Polycyclic aromatic hydrocarbons  Binary mixture  Atmospheric particulate matters  
Quantum Chemical and Kinetic Study on Radical/Molecule Formation Mechanism of Pre-Intermediates for PCTA/PT/DT/DFs from 2-Chlorothiophenol and 2-Chlorophenol Precursors 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 7, 页码: -
Authors:  Zuo, Chenpeng;  Wang, Hetong;  Pan, Wenxiao;  Zheng, Siyuan;  Xu, Fei;  Zhang, Qingzhu
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PCTA  PT  DTs  formation mechanism  radical  molecule coupling  density functional theory  rate constant  
Interfacial formation of environmentally persistent free radicals-A theoretical investigation on pentachlorophenol activation on montmorillonite in PM2.5 期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 169, 页码: 623-630
Authors:  Pan, Wenxiao;  Chang, Jiamin;  Liu, Xian;  Xue, Qiao;  Fu, Jianjie;  Zhang, Aiqian
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Environmentally persistent free radical  Montmorillonite  Interfacial reaction and activation  Density functional theory calculation  Atmospheric fine particulate matters  
化学品健康危害筛查方法 专利
专利号: CN108920889A, 申请日期: 2018-11-30, 公开日期: 2018-11-30
Inventors:  刘娴;  张爱茜;  张华洲;  潘文筱;  薛峤
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关于环境污染联合毒性预测方法学的思考 会议论文
第二次全国计算毒理学学术会议暨中国毒理学会第一届计算毒理专业委员会第二次会议会议摘要, 2018-08-09
Authors:  刘娴;  张华洲;  潘文筱;  薛峤;  傅建捷;  刘国瑞;  郑明辉;  张爱茜
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环境污染  联合毒性  健康风险  计算方案  
基于结构和基因关联分析的环境化学品健康影响研究 会议论文
第二次全国计算毒理学学术会议暨中国毒理学会第一届计算毒理专业委员会第二次会议会议摘要, 2018-08-09
Authors:  张华洲;  刘娴;  薛峤;  潘文筱;  张爱茜
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关联分析  健康影响  化学品  机制解析  
面向小样本环境污染物毒理解析的分子对接方法对比研究 会议论文
第二次全国计算毒理学学术会议暨中国毒理学会第一届计算毒理专业委员会第二次会议会议摘要, 2018-08-09
Authors:  薛峤;  刘秀畅;  刘娴;  潘文筱;  张爱茜
View  |  Adobe PDF(422Kb)  |  Favorite  |  View/Download：47/21  |  Submit date：2019/08/21
小样本  环境污染物  分子对接  Autodock  Surflex Dock