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- and IsMHETase-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 of α‑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.