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Enhanced hand-to-mouth exposure from hand sanitizers during the COVID-19 pandemic: a case study of triclosan 期刊论文
SCIENCE BULLETIN, 2022, 卷号: 67, 期号: 10, 页码: 995-998
Authors:  Wang, Meilin;  Hu, Boyuan;  Zhou, Wei;  Huang, Kai;  Fu, Jianjie;  Zhang, Aiqian;  Jiang, Guibin
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SPREADS  
Evaluation of the binding performance of flavonoids to estrogen receptor alpha by Autodock, Autodock Vina and Surflex-Dock 期刊论文
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2022, 卷号: 233, 期号: 0, 页码: 113323
Authors:  Xue, Qiao;  Liu, Xian;  Russell, Paul;  Li, Jin;  Pan, Wenxiao;  Fu, Jianjie;  Zhang, Aiqian
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PROTEIN-LIGAND DOCKING  MOLECULAR DOCKING  DISCOVERY  FRAMEWORK  DYNAMICS  AFFINITY  
Data-Driven Machine Learning in Environmental Pollution: Gains and Problems 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2022, 卷号: 56, 期号: 4, 页码: 2124-2133
Authors:  Liu, Xian;  Lu, Dawei;  Zhang, Aiqian;  Liu, Qian;  Jiang, Guibin
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WATER TREATMENT PLANTS  PM2.5 CONCENTRATIONS  N2O EMISSIONS  BIG DATA  MULTIVARIATE  REGRESSION  PREDICTION  
Identification of two-dimensional copper signatures in human blood for bladder cancer with machine learning 期刊论文
CHEMICAL SCIENCE, 2022, 卷号: 13, 期号: 6, 页码: 1648-1656
Authors:  Wang, Weichao;  Liu, Xian;  Zhang, Changwen;  Sheng, Fei;  Song, Shanjun;  Li, Penghui;  Dai, Shaoqing;  Wang, Bin;  Lu, Dawei;  Zhang, Luyao;  Yang, Xuezhi;  Zhang, Zhihong;  Liu, Sijin;  Zhang, Aiqian;  Liu, Qian;  Jiang, Guibin
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ICP-MASS SPECTROMETRY  ISOTOPE FRACTIONATION  HEPATOCELLULAR-CARCINOMA  MEDICAL APPLICATIONS  OXIDATIVE STRESS  TRACE-ELEMENTS  CELL CARCINOMA  SERUM  CU  ZN  
Computational Insights into the Allosteric Effect and Dynamic Structural Features of the SARS-COV-2 Spike Protein 期刊论文
CHEMISTRY-A EUROPEAN JOURNAL, 2022, 卷号: 28, 期号: 6, 页码: e202104215
Authors:  Xue, Qiao;  Liu, Xian;  Pan, Wenxiao;  Zhang, Aiqian;  Fu, Jianjie;  Jiang, Guibin
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BINDING  CLEAVAGE  
Trophic Magnification of Short-Chain Per- and Polyfluoroalkyl Substances in a Terrestrial Food Chain from the Tibetan Plateau 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS, 2022, 卷号: 9, 期号: 2, 页码: 147-152
Authors:  Huang, Kai;  Li, Yili;  Bu, Duo;  Fu, Jie;  Wang, Meilin;  Zhou, Wei;  Gu, Luyao;  Fu, Yilin;  Cong, Zhiyuan;  Hu, Boyuan;  Fu, Jianjie;  Zhang, Aiqian;  Jiang, Guibin
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PERFLUOROALKYL CARBOXYLIC-ACIDS  PERFLUORINATED ALKYL SUBSTANCES  PERSISTENT ORGANIC POLLUTANTS  SULFONIC-ACIDS  BIOMAGNIFICATION  WEB  BIOACCUMULATION  CONTAMINANTS  PATTERNS  ISOMERS  
Structural basis for molecular recognition of G protein-coupled estrogen receptor by selected bisphenols 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 793, 页码: -
Authors:  Liu, Xiuchang;  Xue, Qiao;  Zhang, Huazhou;  Fu, Jianjie;  Zhang, Aiqian
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Structure-dependent GPER binding  Molecular recognition mechanism  Induced-fit effect  Molecular dynamics simulations  Bisphenols  
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  
SepPCNET: Deeping Learning on a 3D Surface Electrostatic Potential Point Cloud for Enhanced Toxicity Classification and Its Application to Suspected Environmental Estrogens 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 14, 页码: 9958-9967
Authors:  Wang, Liguo;  Zhao, Lu;  Liu, Xian;  Fu, Jianjie;  Zhang, Aiqian
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deep learning  3D molecular surface electrostatic potential point cloud  chemical toxicity classification  model visualization  data imbalance  estrogen receptor agonist activity  
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