机构

• 生态环境研究中心 [17]
• 遥感与数字地球研究所 [1]

采集方式

• OAI收割 [18]

内容类型

• 期刊论文 [18]

发表日期

• 2022 [2]
• 2021 [2]
• 2020 [1]
• 2019 [3]
• 2018 [2]
• 2017 [3]
• 更多

学科主题

• Environmen... [1]

筛选

浏览/检索结果: 共18条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Evaluation of the binding performance of flavonoids to estrogen receptor alpha by Autodock, Autodock Vina and Surflex-Dock 期刊论文  OAI收割 ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2022, 卷号: 233, 期号: 0, 页码: 113323 作者:  Xue, Qiao;  Liu, Xian;  Russell, Paul;  Li, Jin;  Pan, Wenxiao   |  收藏  |  浏览/下载：15/0  |  提交时间：2022/11/08 PROTEIN-LIGAND DOCKING  MOLECULAR DOCKING  DISCOVERY  FRAMEWORK  DYNAMICS  AFFINITY   Computational Insights into the Allosteric Effect and Dynamic Structural Features of the SARS-COV-2 Spike Protein 期刊论文  OAI收割 CHEMISTRY-A EUROPEAN JOURNAL, 2022, 卷号: 28, 期号: 6, 页码: e202104215 作者:  Xue, Qiao;  Liu, Xian;  Pan, Wenxiao;  Zhang, Aiqian;  Fu, Jianjie   |  收藏  |  浏览/下载：7/0  |  提交时间：2022/11/08 BINDING  CLEAVAGE   Long-Range Transport, Trophic Transfer, and Ecological Risks of Organophosphate Esters in Remote Areas 期刊论文  OAI收割 ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 15, 页码: 10192-10209 作者:  Fu, Jie;  Fu, Kehan;  Chen, Yu;  Li, Xiaomin;  Ye, Tong   |  收藏  |  浏览/下载：15/0  |  提交时间：2021/12/22 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  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 762, 页码: - 作者:  Liu, Xian;  Zhang, Huazhou;  Xue, Qiao;  Pan, Wenxiao;  Zhang, Aiqian   |  收藏  |  浏览/下载：7/0  |  提交时间：2021/12/22 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  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 713, 页码: 1-6 作者:  Chang, Jiamin;  Pan, Wenxiao;  Liu, Xian;  Xue, Qiao;  Fu, Jianjie   |  收藏  |  浏览/下载：30/0  |  提交时间：2021/09/14 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  OAI收割 ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 170, 页码: 427-435 作者:  Liu, Xian;  Zhang, Huazhou;  Pan, Wenxiao;  Xue, Qiao;  Fu, Jianjie   |  收藏  |  浏览/下载：16/0  |  提交时间：2020/10/21 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  OAI收割 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 7, 页码: - 作者:  Zuo, Chenpeng;  Wang, Hetong;  Pan, Wenxiao;  Zheng, Siyuan;  Xu, Fei   |  收藏  |  浏览/下载：16/0  |  提交时间：2020/10/21 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  OAI收割 ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 卷号: 169, 页码: 623-630 作者:  Pan, Wenxiao;  Chang, Jiamin;  Liu, Xian;  Xue, Qiao;  Fu, Jianjie   |  收藏  |  浏览/下载：15/0  |  提交时间：2020/10/21 Environmentally persistent free radical  Montmorillonite  Interfacial reaction and activation  Density functional theory calculation  Atmospheric fine particulate matters   Theoretical study on the formation mechanism of polychlorinated dibenzothiophenes/thianthrenes from 2-chlorothiophenol molecules 期刊论文  OAI收割 JOURNAL OF ENVIRONMENTAL SCIENCES, 2018, 卷号: 66, 页码: 318-327 作者:  Chang, Jiamin;  Yu, Xiaoqing;  Liu, Xian;  Pan, Wenxiao;  Zhang, Aiqian   |  收藏  |  浏览/下载：24/0  |  提交时间：2019/06/20 Polychlorinated dibenzothiophenes/thianthrenes  Formation mechanism  Phenyl radicals  Thiophenoxyl diradicals  Density functional theory study   Inhibition of thrombin by functionalized C-60 nanoparticles revealed via in vitro assays and in silico studies 期刊论文  OAI收割 JOURNAL OF ENVIRONMENTAL SCIENCES-CHINA, 2018, 卷号: 63, 页码: 285-295 作者:  Liu, Yanyan;  Fu, Jianjie;  Pan, Wenxiao;  Xue, Qiao;  Liu, Xian   |  收藏  |  浏览/下载：35/0  |  提交时间：2019/06/20 Thrombin  C-60 nanoparticle (NP)  Surface modification  Activity inhibition  Quantitative nanostructure-activity relationship  Molecular docking