近三年主要论文(^#共同第一，*通讯作者):

(1) Chen Yang^#,Yanwei Li^#, Shuyao Zhou, Yilin Guo, Chuancheng Jia, Zhirong Liu, Kendall N. Houk*, Yonatan Dubi* and Xuefeng Guo*. Real-time monitoring of reaction stereochemistry through single-molecule observations of chirality-induced spin selectivity,Nature Chemistry, 2023, 15, 972−979.

(2) Mingna Zheng,Yanwei Li*, Weiliang Dong, Qingzhu Zhang, Wenxing Wang. Enantioselectivity and origin of enhanced efficiency in polyethylene terephthalate hydrolases catalyzed depolymerization,Journal of Hazardous Materials, 2023, 131295.

(3) Mingna Zheng,Yanwei Li*, Weiliang Dong, Jie Shen, Qingzhu Zhang, P450-catalyzed polyethylene oligomer degradation: A quantum mechanics/molecular mechanics study,Journal of Cleaner Production, 2023, 136130.

(4) Mingna Zheng,Yanwei Li,*Weiliang Dong, Weixin Zhang, Shanshan Feng, Qingzhu Zhang, and Wenxing Wang, Depolymerase-Catalyzed Polyethylene Terephthalate Hydrolysis: A Unified Mechanism Revealed by Quantum Mechanics/Molecular Mechanics Analysis,ACS Sustainable Chemistry & Engineering, 2022, 10, 7341.

(5) Shanshan Feng,Yanwei Li*, Ruiming Zhang, Qingzhu Zhang, Wenxing Wang. Origin of metabolites diversity and selectivity of P450 catalyzed benzo[a]pyrene metabolic activation.Journal of Hazardous Materials, 2022, 129008.

(6)Mingna Zheng,Yanwei Li*, Weiliang Dong, Shanshan Feng, Qingzhu Zhang, Wenxing Wang. Computational biotransformation of polyethylene terephthalate by depolymerase: A QM/MM approach.Journal of Hazardous Materials,2022, 127017.

(7) Junhua Zhou#, Xin Zhang#,Yanwei Li*, Shanshan Feng, Qingzhu Zhang, Wenxing Wang, Endocrine-Disrupting Metabolic Activation of 2-Nitrofluorene Catalyzed by Human Cytochrome P450 1A1: A QM/MM Approach.Environment International,2022, 107355.

(8) Mingna Zheng,Yanwei Li*, Rui Xue, Weiliang Dong*, Qingzhu Zhang, WenxingWang, Hydrolases catalyzed nanosized polyethylene terephthalate depolymerization: New insights from QM/MM analysis.Journal of Cleaner Production, 2022, 134429.

(9) Yue Yue^#, Jiaqian Fan^#, Guoqing Xin, Qun Huang, Jian-bo Wang*,Yanwei Li*, Qingzhu Zhang, Wenxing Wang. Comprehensive Understanding of Fluoroacetate Dehalogenase-Catalyzed Degradation of Fluorocarboxylic Acids: A QM/MM Approach.Environmental Science & Technology,2021, 55, 9817−9825.(Featured Cover Article)

(10) Shanshan Feng, Yue Yue, Mingna Zheng,Yanwei Li*, Qingzhu Zhang, Wenxing Wang.IsPETase- andIsMHETase-Catalyzed Cascade Degradation Mechanism toward Polyethylene Terephthalate.ACS Sustainable Chemistry & Engineering, 2021, 9, 9823–9832.

(11) Pijun Duan, Xinning Liu, Binhua Liu, Muhammad Akram,Yanwei Li*, Jingwen Pan, Qinyan Yue, Baoyu Gao, XingXu*. Effect of phosphate on peroxymonosulfate activation: Accelerating generation of sulfate radical and underlying mechanism.Applied Catalysis B: Environmental, 2021, 298, 120532.(Highly Cited Paper)

(12) Chen Yang^#, Zitong Liu^#,Yanwei Li^#, Shuyao Zhou, Chenxi Lu, Yilin Guo, Melissa Ramirez, Qingzhu Zhang, Yu Li, Zhirong Liu, K. N. Houk*, Deqing Zhang*, Xuefeng Guo*. Electric field–catalyzed single-molecule Diels-Alder reaction dynamics.Science Advances, 2021, 7, eabf0689.

(13) Hongxia Zhang^#, Shaixiao Tian^#, Yue Yue, Min Li, Wei Tong, Guangyu Xu, Bo Chen, Ming Ma,Yanwei Li*, and Jian-bo Wang*. Semirational design of fluoroacetate dehalogenase RPA1163 for kinetic resolution ofα‑fluorocarboxylic acids on a gram scale.ACS Catalysis, 2020, 10, 3143−3151.

(14) Pijun Duan, Yuanfeng Qi, Shanshan Feng, Xiaoming Pengd Wei Wang, Yue Yue,Yanan Shang,Yanwei Li*, Baoyu Gao, Xing Xu*. Enhanced degradation of clothianidin in peroxymonosulfate/catalyst system via core-shell FeMn @ N-C and phosphate surrounding.Applied Catalysis B: Environmental, 2020, 267, 118717.(Highly Cited Paper)

(15) Yue Yue, Jinfeng Chen, Lei Bao, Junjie Wang,Yanwei Li*, Qingzhu Zhang. Fluoroacetate dehalogenase catalyzed dehalogenation of halogenated carboxylic acids: A QM/MM approach.Chemosphere, 2020, 254, 126803.