Donghui Wei

作者: 时间:2021-06-11 点击数:

Donghui Wei was born in 1983 in Henan, China. He graduated from Zhengzhou University (2006) and received his Ph.D. (2012) from Zhengzhou University. During the Ph.D., he studied as a visting scholar (2010-2012) with Professor Chang-Guo Zhan as advisor in University of Kentucky, America. Subsequently, he became a Lecturer in 2013 and an Associate Professor of Zhengzhou University in 2017. He perfomed a series of theroretical stuides on the mechanisms of enzyme reactions (such as the reacitons between proteasome and different peptides), organocatalystic reactions (such as N-heterocyclic carbene (NHC) catalyzed reactions), and transition metals (such as Rh, Co) catalyzed C-H activation reactions.

Personal information:

Email: donghuiwei@zzu.edu.cn

Education:

2002.09-2006.06  Dept. of Chemistry, Zhengzhou University, Applied Chemistry, B.E.

2006.09-2012.12  Dept. of Chemistry, Zhengzhou University, Theoretical and Computational Chemistry, D.E.

2010.10-2012.11 College of Pharmacy, University of Kentucky, Visiting Scholar

Experience:

Associate Professor  2017-               College of Chemistry, Zhengzhou University

Lecturer                    2013-2016       Department of Chemistry, Zhengzhou University

Foundation:

(1) 2021.01-2023.12 Natural Science Foundation for Outstanding Young Scientist in Henan Province

(2) 2020.01-2022.12 The Training Plan for Young Teachers in Colleges and Universities in Henan Province (No. 2020GGJS016)

(3) 2018.01-2021.12 Theoretical study on the catalytic reaction mechanisms of metal- and cofactor-free oxidases and oxygenases (No. 21773214), National Natural Science Foundation of China

(4) 2014.01-2016.12 Theoretical study on the inhibitions of proteasome by the different types of inhibitors (No. 21303167), National Natural Science Foundation of China

(5) 2015.10-2018.10 Theoretical study on the N‑heterocyclic carbene-catalyzed annulat ion, C-H activation, and C-C activation reactions (No. 1521316001), Zhengzhou University

(6) 2015.06-2016.12 Theoretical study on the oxidation and hydration of uric acid catalyzed by uricase (No. 2015T80776), China Postdoctoral Science Foundation

(7) 2013.04-2016.12 Theoretical study on the reaction mechanisms of proteasomal proteolysis (No. 2013M530340), China Postdoctoral Science Foundation

Research areas:

(1) DFT study on the mechanisms of chemical reactions

(2) Pseudobond QM/MM-FE study on the mechanisms of the enzyme reactions

Research articles (the first or corresponding author):

2021

(1) Min Zhang, Yang Wang, Shi-Jun Li, Xinghua Wang, Qianqian Shi, Xue Li, Ling-Bo Qu, Donghui Wei*, and Yu Lan*, Multiple Functional Organocatalyst-Promoted Inert C–C Activation: Mechanism and Origin of Selectivities, ACS Catalysis, 2021, 11, 3443-3454.

(2) Guanjie Wang, Qiao-Chu Zhang, Chenlong Wei, Ye Zhang, Linxue Zhang, Juhui Huang, Donghui Wei*, Zhenqian Fu*, and Wei Huang, Asymmetric Carbene-Catalyzed Oxidation of Functionalized Aldimines as 1,4-Dipoles, Angew. Chem. Int. Ed., 2021, 60, 7913

(3) Qiao-Yu Zhang, Shi-Jun Li, Yang Wang, Jin-Shuai Song, Yu Lan* and Donghui Wei*, Insights into the chiral sulfide/selenide-catalyzed electrophilic carbothiolation of alkynes: mechanism and origin of axial chirality, Org. Chem. Front., 2021, DOI: 10.1039/D1QO00036E.

(4) Ting‐Ting Yang, Congcong Wang, Shi‐Jun Li, Min Zhang, Donghui Wei* and Yu Lan*, Possible Mechanisms and Origin of Selectivities for Phosphine‐Catalyzed [2+n] (n=3, 4) Annulations of Saturated Amines and δ‐Acetoxy Allenoates. Asian J. Org. Chem. https://doi.org/10.1002/ajoc.202000679

(5) Haohua Chen, Yuanyuan Li*, SongLiu, QinXiong, RuopengBai, DonghuiWei* and Yu Lan*, On the mechanism of homogeneous Pt-catalysis: A theoretical view, Coord Chem Rev, 2021, 437, 213863.

(6) Zhengqiang Fu, Xinghua Wang, Sheng Tao, Qingqing Bu, Donghui Wei* and Ning Liu*, Manganese Catalyzed Direct Amidation of Esters with Amines, J. Org. Chem. 2021, 86, 2339−2358

(7) Xinghua Wang, Shi-Jun Li, Ya-Nan Wang, Donghui Wei* and Yu Lan*, Theoretical Model for N-Heterocyclic Carbene-Catalyzed Desymmetrizing [4 + 1] and [4 + 2] Annulations of an Enal and Aryldialdehyde with 1,3-Cyclopentenedione, Org. Lett., 2021, DOI: 10.1021/acs.orglett.1c00270.

(8) Xinghua Wang, Yang Wang, Donghui Wei* and Yu Lan*, Insight into the organocatalytic arylation of azonaphthalenes with α-chloroaldehydes: the general mechanism and origin of selectivities, Chem. Commun., 2021, 57, 219-222.

(9) Yang Wang, Yan Qiao, Yu Lan* and Donghui Wei*, Predicting the origin of selectivity in NHC-catalyzed ring opening of formylcyclopropane: a theoretical investigation, Catal. Sci. Technol., 2021, 11, 332-337.

(10) Jin Wang, Ming-Yue Ju, Xinghua Wang, Yan-Na Ma*, Donghui Wei* and Xuenian Chen*, Hydroboration Reaction and Mechanism of Carboxylic Acids using NaNH2(BH3)2, a Hydroboration Reagent with Reducing Capability between NaBH4 and LiAlH4, J. Org. Chem., 2021, DOI: 10.1021/acs.joc.1c00302.

(11) Rui Ma, Xiaoxue Wang, Qiaoyu Zhang, Lei Chen, Jian Gao, Jie Feng, Donghui Wei*, and Ding Du*, Atroposelective Synthesis of Axially Chiral 4‑Aryl α‑Carbolines via N‑Heterocyclic Carbene Catalysis, Org. Lett., 2021, 23, 4267-4272.

(12) Min Zhang, Xinghua Wang, Tingting Yang, Yan Qiao* and Donghui Wei*, Theoretical model for N-heterocyclic carbene-catalyzed decarboxylation reactions. Org. Chem. Front., 2021, https://doi.org/10.1039/D1QO00413A.

2020

(1) Yang Wang, Ling-Bo Qu, Yu Lan*, Donghui Wei*, Origin of regio- and stereoselectivity in the NHC-catalyzed reaction of alkyl pyridinium with aliphatic enal, ChemCatChem, 2020, 12, 1068-1074.

(2) Qiuli Liu, Yang Wang, Yanyan Wang*, Xue Li, Ling-Bo Qu, Yu Lan, Donghui Wei*, Computational Study on N-Heterocyclic Carbene (NHC)-Catalyzed Intramolecular Hydroacylation-Stetter Reaction Cascade, Mol. Catal., 2020, 484, 110723.

(3) Yang Wang, Donghui Wei*, Mechanistic investigation of N-heterocyclic carbene and Na2CO3 cooperatively catalyzed C(sp3)-F bond activation reaction of fluoroenal, Mol. Catal., 2020, 489, 110944.

(4) Congcong Wang, Shi-Jun Li, Qiao-Chu Zhang, Donghui Wei*, Lina Ding*, Insights into isothiourea-catalyzed asymmetric [3 + 3] annulation of α,β-unsaturated aryl esters with 2-acylbenzazolesMechanism, origin of stereoselectivity and switchable chemoselectivity, Catal. Sci. Technol. 2020, 10, 3664 - 3669.

(5) Yang Wang, Ling-Bo Qu, Donghui Wei*, and Yu Lan*, Unveiling the Chemo- and Stereoselectivities of NHC-Catalyzed Reactions of an Aliphatic Ester with Aminochalcone, J. Org. Chem., 2020, 85, 8437-8446.

(6) Qianqian Deng, Fangjing Mu, Yan Qiao*, Donghui Wei*, A theoretical review for novel Lewis base amine/imine-catalyzed reactions, Org. Biomol. Chem. 2020, 18, 6781-6800.

(7) Min Zhang, Tingting Yang, Qiuli Liu, Yang Wang, Shi-Jun Li*, Xiaojuan Gao*, Donghui Wei*, Origin of diastereoselectivity and catalytic efficiency on Isothiourea-mediated cyclization of carboxylic acid with alkenyl ketone. Comput. Theor. Chem., 2020, 1190113004.

(8) Chun-Bo Bo, Qingqing Bu, Xue Li, Ge Ma, Donghui Wei*, Cheng Guo*, Bin Dai, Ning Liu*, Highly Active and Robust Ruthenium Complexes Based on Hemilability of Hybrid Ligands for C-H Oxidation, J. Org. Chem., 2020, 85, 4324-4334.

(9) Sheng Tao, Qingqing Bu, Qianqian Shi, Donghui Wei*, Bin Dai*, Ning Liu*, Synthesis of Benzodiazepines via Ring Opening/Ring Closure of Benzimidazole Salts. Chem. Eur. J., 2020, 26, 3252-3258.

(10) Hao Cui, Ke Li, Yue Wang, Manman Song, Congcong Wang, Donghui Wei*, Er-Qing Li*, Zheng Duan* and François Mathey, Copper(I)/Ganphos catalysis: enantioselective synthesis of diverse spirooxindoles using iminoesters and alkyl substituted methyleneindolinones, Org. Biomol. Chem., 2020, 18, 3740–3746.

(11) Congcong Wang, Shi-Jun Li, Min Zhang, Donghui Wei* and Lina Ding*, Origin of stereoselectivity in an isothiourea catalyzed Michael addition reaction of aryl ester with vinyl disulfone, New J. Chem., 2020, 44, 17906—17911

(12) Wen-Yue Song, Qiuli Liu, Qingqing Bu, Donghui Wei*, Bin Dai, and Ning Liu*, Rational Design of Cobalt Complexes Based on the trans Effect of Hybrid Ligands and Evaluation of their Catalytic Activity in the Cycloaddition of Carbon Dioxide with Epoxide, Organometallics 2020, 39, 3546–3561

(13) Fei Chen, Sheng Tao, Qian-Qian Deng, Donghui Wei*, Ning Liu*, and Bin Dai*, Binuclear Tridentate Hemilabile Copper(I) Catalysts for Utilization of CO2 into Oxazolidinones from Propargylic Amines, J. Org. Chem., 2020, 85, 15197-15212.

(14) Min Wang, Tingting Yang, Rongqiang Tian*, Donghui Wei*, Zheng Duan* and François, Mathey The chemistry of phosphirane-substituted phosphinidene complexes,Chem. Commun., 2020, 56, 9707.

(15) Qianqian Deng, Yang Wang, Shi-Jun Li*, Ling-Bo Qu, Yu Lan and Donghui Wei*, Origin and stabilization of axial chirality in the construction of naphthyl-C2-indoles: a DFT study, Org. Chem. Front., 2020, 7, 3166.

(16) Qianqian Deng, Shi-Jun Li, Donghui Wei*, and Yu Lan*, Insights into Lewis base-catalyzed chemoselective [3 + 2] and [3 + 4] annulation reactions of MBH carbonates, Org. Chem. Front., 2020, 7, 1828.

(17) Junjian Wang, Donghui Wei*, Zheng Duan*, and Francois, Mathey Cleavage of the Inert C(sp2)-Ar σ‑Bond of Alkenes by a Spatial Constrained Interaction with Phosphinidene, J. Am. Chem. Soc. 2020, 142, 20973-20978.

(18) Guanjie Wang, Qianqian Shi, Wanyao Hu, Tao Chen, Yingying Guo, Zhouli Hu, Minghua Gong, Jingcheng Guo, Donghui Wei*, Zhenqian Fu and Wei Huang, Organocatalytic asymmetric N-sulfonyl amide C-N bond activation to access axially chiral biaryl amino acids, NATURE COMMUNICATIONS | (2020) 11:946.

(19) Shi-Jun Li, Xue Li, Huilin Mo, Ling-Bo Qu, Donghui Wei*, and Yu Lan*, With metal or not? a computationally predicted rule for a dirhodium catalyst in [3+3] cycloadditions of triazole with thiirane, Chem. Commun., 2020, 56, 4732.

(20) Xue Li, Jun Xu, Shi-Jun Li, Ling-Bo Qu, Zhongjun Li, Yonggui Robin Chi, Donghui Wei* and Yu Lan*, Prediction of NHC-catalyzed chemoselectivefunctionalizations of carbonyl compounds:a general mechanistic map, Chem.Sci., 2020, 11, 7214.

(21) Fang Sun, Tingrui Yin, Yang Wang, Anni Feng, Liuqing Yang, Wenchao Wu, Chenxia Yu, Tuanjie Li*, Donghui Wei*, and Changsheng Yao, A combined experimental and computational study of NHC-promoted desulfonylation of tosylated aldimines,Org. Chem. Front., 2020, 7, 578.

(22) Xinghua Wang, Yang Wang, Jinshuai Song*, and Donghui Wei*, Insights into N-heterocyclic carbene and Lewis acid cooperatively catalyzed oxidative [3 + 3] annulation reactions of α, β-unsaturated aldehyde with 1,3-dicarbonyl compounds, Org. Chem. Front., 2020, 7, 1113.

(23) Wenchao Wu, Shuangli Xu, Yan Zhang, Xiu Wang, Ruotong Li, Fang Sun, Chenxia Yu, Tuanjie Li*, Donghui Wei*, and Changsheng Yao*, NHC-catalyzed β-specific addition of N-based nucleophiles to allenoates, Org. Chem. Front., 2020, 7, 1593.

2019

(1) Yang Wang*, Ling-Bo Qu, Donghui Wei*, Prediction on the Origin of Selectivities in Base-controlled Switchable NHC-catalyzed Transformations. Chem. Asian J. 2019, 14, 293-300.

(2) Yang Wang, Qiu-Yu Wu, Tian-Hua Lai, Kai-Jun Zheng, Ling-Bo Qu*, Donghui Wei*, Prediction on the origin of selectivities of NHCcatalyzed asymmetric dearomatization (CADA) reactions. Catal. Sci. Technol., 2019, 9, 465-476.

(3) Yan Qiao, Jimin Zhao, Junbiao Chang*, Donghui Wei*, Insights into the Oxidative Palladium-Catalyzed Regioselective Synthesis of 3-Arylindoles from N-Ts-Anilines and Styrenes: A Computational Study. ChemCatChem, 2019, 11, 780-789.

(4) Xue Li, Shi-Jun Li, Yanyan Wang, Yang Wang, Ling-Bo Qu, Zhongjun Li* and Donghui Wei*, Insights into NHC-catalyzed oxidative a-C(sp3)-H activation of aliphatic aldehydes and cascade [2 + 3] cycloaddition with azomethine imines. Catal. Sci. Technol., 2019, 9, 2514-2522.

(5) Xue Li, Ruihong Duan, Yanyan Wang, Ling-Bo Qu, Zhongjun Li* and Donghui Wei*, Insights into N‑Heterocyclic Carbene-Catalyzed Oxidative α‑C(sp3)-H Activation of Aliphatic Aldehydes and Cascade [2 + 2] Cycloaddition with Ketimines. J. Org. Chem., 2019, 84, 6117-6125.

(6) Yang Wang, Ling-Bo Qu, Yu Lan*, Donghui Wei*, Unravelling the Mechanism and Selectivity of the NHC-catalyzed Three-Membered Ring-Opening/Fluorination of Epoxy Enals: A DFT Study. ChemCatChem, 2019, 11, 2919-2925.

(7) Qiuli Liu, Lin Sun, Shi-Jun Li*, Xue Li, Ling-Bo Qu, Yu Lan, Donghui Wei*, Insights into N-Heterocyclic Carbene (NHC)-Catalyzed Asymmetric Addition of 2H-Azirine with Aldehyde. Chem Asian J, 2019, 14, 2000 – 2007.

(8) Si-Cong Liu, Xue Li, Sh-Jun Li*, Donghui Wei*, Insight into Isothiourea-Catalyzed Enantioselective Addition of Saturated Esters to Iminium Ions. Chem Asian J, 2019, 14, 4322-4327.

(9) Xi-Meng Chen, Jin Wang, Si-Cong Liu, Jie Zhang*, Donghui Wei*, and Xuenian Chen*, Controllable syntheses of B/N anionic aminoborane chain complexes by the reaction of NH3BH3 with NaH and the mechanistic study, Dalton Trans., 2019, 48, 14984–14988.

(10) Yu Guo, Xinghua Wang,Nana Ma, Yilin Cao, Sajjad Hussain, Jie Zhang*, Donghui Wei*, Xuenian Chen* Mechanisms of the reactions of B‐Substituted Amine Boranes with THF·BH3, Eur. J. Inorg. Chem., 2019: 4994-4999.

(11) Xi-Meng Chen, Si-Cong Liu, Cong-Qiao Xu, Yi Jing, Donghui Wei*, Jun Li* and Xuenian Chen*, Unravelling a general mechanism of converting ionic B/N complexes into neutral B/N analogues of alkanes: Hδ+…Hδ– dihydrogen bonding assisted dehydrogenation, Chem. Commun., 2019, 55, 12239.

(12) Yingying Guo, Zhoulu Wang, Ying Zhu, Qiaochu Zhang, Donghui Wei*, Xiang Liu* and Zhenqian Fu, Access to polyfunctionalized carbazoles through π-extension of 2-methyl-3-oxoacetate indoles,Org. Chem. Front., 2019, 6, 3741.

(13) Qianqian Shi, Wei Wang, Yang Wang, Yu Lan, Changsheng Yao* and Donghui Wei*, Prediction on the origin of chemoselectivity in Lewis base-mediated competition cyclizations between allenoates and chalcones: a computational study, Org. Chem. Front., 2019, 6, 2692.

(14) Sha Li, Ziwei Tang, Yang Wang, Dan Wang, Zhanlin Wang, Chenxia Yu, Tuanjie Li, Donghui Wei*, and Changsheng Yao*, NHC-Catalyzed Aldol-Like Reactions of Allenoates with Isatins: Regiospecific Syntheses of γ‑Functionalized Allenoates, Org. Lett. 2019, 21, 1306-1310.

(15) Kai Sun, Shi-Jun Li, Xiao-Lan Chen*, Yan Liu, Xian-Qiang Huang, Donghui Wei*, Ling-Bo Qu, Yu-Fen Zhao and Bing Yu, Silver-catalyzed decarboxylative radical cascade cyclization toward benzimidazo [2,1-a] isoquinolin- 6(5H)-ones, Chem. Commun., 2019, 55, 2861.Qiao-Chu Zhang, Xue Li, Xinghua Wang, Shi-Jun Li*, Ling-Bo Qu, Yu Lan and Donghui Wei *, Insights into highly selective ring expansion of oxaziridines under Lewis base catalysis: a DFT study, Org. Chem. Front., 2019, 6, 679.

2018

(1) Ning Liu*, Yafei Xie, Chuan Wang, Shijun Li, Donghui Wei*, Bin Dai*, Cooperative Muti-Functional Organocatalysts for Ambient Conversion of Carbon Dioxide into Cyclic Carbonates, ACS Catalysis, 2018, 8, 9945−9957.

(2) Yang Wang, Cong Du, Yanyan Wang, Xiaokang Guo, Lei Fang, Mao-Ping Song, Jun-Long Niu*, and Donghui Wei*, High-Valent Cobalt Catalyzed C-H Activation/Annulation of 2-Benzamidopyridine 1-Oxide with Terminal Alkyne: A Combined Theoretical and Experimental Study, Advanced Synthesis & Catalysis, 2018, 360(14), 2668-2677.

(3) Yang Wang, Donghui Wei*, WenJing Zhang, Recent Advances on Computational Investigations of N-Heterocyclic Carbene Catalyzed Cycloaddition/Annulation Reactions: Mechanism and Origin of Selectivities, ChemCatChem, 2018, 10, 338–360.

(4) Qianqian Shi, Yang Wang, Yanyan Wang, Ling-Bo Qu, Yan Qiao*, and Donghui Wei*, Insights into N-heterocyclic carbene-catalyzed [3 + 4] annulation reactions of 2-bromoenals with N-Ts hydrazones, Organic Chemistry Frontiers, 2018, 5, 2739 -2748.

(5) Qianqian Shi, Yang Wang, Donghui Wei*, Insights into the isothiourea-catalyzed asymmetric [4 + 2] annulation of phenylacetic acid with alkylidene pyrazolone, Organic & Biomolecular Chemistry, 2018,16, 2301-2311.

(6) Xue Li, Mingsheng Tang, Yanyan Wang, Yang Wang, Zhongjun Li*, Ling-Bo Qu, Donghui Wei*, Insights into the N-Heterocyclic Carbene (NHC)-Catalyzed Intramolecular Cyclization of Aldimines: General Mechanism and Role of Catalyst, Chemistry – An Asian Journal, 2018, 13, 1710-1718.

(7) Yang Wang, Shou-Ren Zhang, Yanyan Wang, Ling-Bo Qu*, and Donghui Wei*, Insights into the NHC-catalyzed cascade Michael/aldol/lactamization reaction: mechanism and origin of stereoselectivity, Organic Chemistry Frontiers, 2018, 5, 2065-2072.

(8) Yanyan Wang, Yang Wang, Mingsheng Tang, Ling-Bo Qu, Zhongjun Li*, and Donghui Wei*, Insights into the N-Heterocyclic Carbene (NHC)-Catalyzed Oxidative γ-C(sp3) −H Deprotonation of Alkylenals and Cascade [4 + 2] Cycloaddition with Alkenylisoxazoles, Journal of Organic Chemistry, 2018, 83(15), 8543–8555.

(9) Yang Wang, Yanyan Wang, Xinghua Wang, Xue Li, Ling-Bo Qu*, and Donghui Wei*, Competing Mechanisms and Origins of Chemo- and Stereo-Selectivities of 2 NHC-Catalyzed Reactions of Enals with 2-Aminoacrylates, Catalysis Science & Technology, 2018, 8, 4229-4240.

(10) Qianqian Shi, Yang Wang, Donghui Wei*, Theoretical study on DABCO-catalyzed ring expansion of cyclopropyl ketone: Mechanism, chemoselectivity, and role of catalyst, Computational and Theoretical Chemistry, 2018, 1123, 20–25.

(11) Qiuli Liu, Shi-Jun Li*, Xue Li, Ling-Bo Qu, Donghui Wei*, A computational study on the 4-dimethylaminopyridine (DMAP)-catalyzed regioselective [2+4] cyclization of allenic ester with cyclic ketimine, ChemistrySelect, 2018, 3, 10553–10558.

(12) Chunhui Liu, Peilin Han, Zhizhong Xie, Zhihong Xu, Donghui Wei*, Insights into Ag(I)-catalyzed addition reactions of amino alcohols to electron-deficient olefins: competing mechanisms, role of catalyst, and origin of chemoselectivity, RSC Adv., 2018, 8, 40338–40346.

2017:

(1) Donghui Wei*, Xiaoqin Huang, Yan Qiao, Jingjing Rao, Lu, Liao Wang, Zhan Fei, Chang-Guo*, Catalytic Mechanisms for Cofactor-Free Oxidase-Catalyzed Reactions: Reaction Pathways of Uricase-Catalyzed Oxidation and Hydration of Uric Acid, ACS Catalysis, 2017, 7, 4623−4636.

(2) Yang Wang, Yan Qiao, Donghui Wei*, Mingsheng Tang, Computational study on NHC-catalyzed enantioselective and chemoselective fluorination of aliphatic aldehydes, Organic Chemistry Frontiers, 2017, 4, 1987-1998.

(3) Yang Wang, Donghui Wei*, Mingsheng Tang, Computational Study on γ-C–H Functionalization of α,β-Unsaturated Ester Catalyzed by N-Heterocyclic Carbene: Mechanisms, Origin of Stereoselectivity, and Role of Catalyst, J. Org. Chem., 2017, 82, 13043−13050.

(4) Wei Zhang, Yan Qiao, Yang Wang, Mingsheng Tang, Donghui Wei*, Theoretical investigation toward organophosphine-catalyzed [3+3] annulation of Morita–Baylis–Hillman carbonates with azomethine imines: Mechanism, origin of stereoselectivity, and role of catalyst, International Journal of Quantum Chemistry, 2017, e25367.

(5) Wei Zhang, Yang Wang, Lidong Wang, Zhiyu Wang, Donghui Wei*, Mingsheng Tang, Insights into chemoselective fuorination reaction of alkynals via N‑heterocyclic carbene and Brønsted base cooperative catalysis, Theoretical Chemistry Accounts, 2017, 136, 94.

(6) Wei Wang, Donghui Wei*, A DFT Study of N-Heterocyclic Carbene Catalyzed [4+2] Annulation between Saturated Carboxylate with ortho-Quinone Methide: Possible Mechanisms and Origin of Enantioselectivity, Chemistry Select, 2017, 2, 8856-8864.

(7) Wei Wang, Yang Wang, Linjie Zheng, Yan Qiao, Donghui Wei*, A DFT Study on Mechanisms and Origin of Selectivity of Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates, ChemistrySelect, 2017, 2, 5266–5273.

(8) Xue Li, Donghui Wei*, Zhongjun Li*, Theoretical Study on DBU-Catalyzed Insertion of Isatins into Aryl Difluoronitromethyl Ketones: A Case for Predicting Chemoselectivity Using Electrophilic Parr Function, ACS Omega, 2017, 2, 7029−7038.

2016

(1) Yanyan Wang, Donghui Wei*, Yang Wang, Wenjing Zhang, Mingsheng Tang*, N-Heterocyclic Carbene (NHC)-Catalyzed sp (3) beta-C-H Activation of Saturated Carbonyl Compounds: Mechanism, Role of NHC, and Origin of Stereoselectivity, ACS Catalysis, 2016, 6, 279-289.

(2) Yang Wang, Mingsheng Tang, Yanyan Wang, Donghui Wei*, Insights into Stereoselective Aminomethylation Reaction of alpha,beta-Unsaturated Aldehyde with N,O-Acetal via N-Heterocyclic Carbene and Bronsted Acid/Base Cooperative Organocatalysis, Journal of Organic Chemistry, 2016, 81, 5370-5380.

(3) Yang Wang, Bohua Wu, Linjie Zheng, Mingsheng Tang*, Donghui Wei*, DFT perspective toward [3 + 2] annulation reaction of enals with α-ketoamides through NHC and Brønsted acid cooperative catalysis: mechanism, stereoselectivity, and role of NHC, Organic Chemistry Frontiers, 2016, 3, 190-203.

(4) Yang Wang, Bohua Wu, Haoyang Zhang, Donghui Wei*, Mingsheng Tang, A computational study on the N-heterocyclic carbene-catalyzed C-sp2-C-sp3 bond activation/ [4+2] cycloaddition cascade reaction of cyclobutenones with imines: a new application of the conservation principle of molecular orbital symmetry, Physical Chemistry Chemical Physics, 2016, 18, 19933-19943.

(5) Yan Qiao, Xinhuan Chen, Donghui Wei*, Junbiao Chang*, Insights into the Competing Mechanisms and Origin of Enantioselectivity for N-Heterocyclic Carbene-Catalyzed Reaction of Aldehyde with Enamide, Scientific Reports, 2016, 6, 38200.

(6) Donghui Wei*, Xinju Zhu*, Jun-Long Niu*, Mao-Ping Song*, High-Valent-Cobalt-Catalyzed C-H Functionalization Based on Concerted Metalation-Deprotonation and Single-Electron-Transfer Mechanisms, ChemCatChem, 2016, 8, 1242-1263.

(7) Linjie Zheng, Yang Wang, Donghui Wei*, Yan Qiao*, Insights into N-Heterocyclic Carbene-Catalyzed [4+2] Annulation Reaction of Enals with Nitroalkenes: Mechanisms, Origin of Chemo- and Stereoselectivity, and Role of Catalyst, Chemistry-An Asian Journal, 2016, 11, 3046-3054.

(8) Linjie Zheng, Mingsheng Tang, Yang Wang, Xiaokang Guo, Donghui Wei*, Yan Qiao*, A DFT study on PBu3-catalyzed intramolecular cyclizations of N-allylic substituted alpha-amino nitriles for the formation of functionalized pyrrolidines: mechanisms, selectivities, and the role of catalysts, Organic & Biomolecular Chemistry, 2016,14, 3130-3141.

(9) Wei Zhang, Yang Wang, Donghui Wei*, Mingsheng Tang, Xinju Zhu*, A DFT study on NHC-catalyzed intramolecular aldehyde-ketone crossed-benzoin reaction: mechanism, regioselectivity, stereoselectivity, and role of NHC, Organic & Biomolecular Chemistry, 2016, 14, 6577-6590.

(10) Yan Qiao, Wanjing Yang, Donghui Wei*, Junbiao Chang*, Theoretical investigations toward TMEDA-catalyzed [2+4] annulation of allenoate with 1-aza-1,3-diene: mechanism, regioselectivity, and role of the catalyst, RSC Advances, 2016, 6, 70723-70731.

2015

(1) Xiao-Kang Guo, Lin-Bao Zhang, Donghui Wei*, Jun-Long Niu*, Mechanistic insights into cobalt(ii/iii)-catalyzed C-H oxidation: a combined theoretical and experimental study, Chemical Science, 2015, 6,7059-7071.

(2) Yan Qiao, Donghui Wei*, Junbiao Chang*, Insights into the Unexpected Chemoselectivity for the N-Heterocyclic Carbene-Catalyzed Annulation Reaction of Allenals with Chalcones, Journal of Organic Chemistry, 2015, 80, 8619-8630.

(3) Yang Wang, Linjie Zheng, Donghui Wei*, Mingsheng Tang*, A quantum mechanical study of the mechanism and stereoselectivity of the N-heterocyclic carbene catalyzed [4+2] annulation reaction of enals with azodicarboxylates, Organic Chemistry Frontiers, 2015, 2, 874-884.

(4) Donghui Wei, Mingsheng Tang, Chang-Guo Zhan*, Fundamental reaction pathway and free energy profile of proteasome inhibition by syringolin A (SylA), Organic and Biomolecular Chemistry, 2015, 13, 6857-6865.

(5) Yanyan Wang, Yang Wang, Wenjing Zhang, Yanyan Zhu, Donghui Wei*, Mingsheng Tang *, Mechanisms and stereoselectivities of the Rh(I)-catalyzed carbenoid carbon insertion reaction of benzocyclobutenol with diazoester, Organic and Biomolecular Chemistry, 2015, 13, 6587-6597.

(6) Shijun Li, Huabiao Tang, Yang Wang, Yanyan Zhu, De-Cai Fang, Donghui Wei*, Mingsheng Tang *, A DFT study on the competing mechanisms of PPh3-catalyzed [3+3] and [3+2] annulations between 5-acetoxypenta-2,3-dienoate and 1C,3O-bisnucleophiles, Journal of Molecular Catalysis A: Chemical, 2015, 407, 137-146.

(7) Yang Wang, Xiaokang Guo, Mingsheng Tang *, Donghui Wei*, Theoretical Investigations toward the Asymmetric Insertion Reaction of Diazoester with Aldehyde Catalyzed by N-Protonated Chiral Oxazaborolidine: Mechanisms and Stereoselectivity, Journal of Physical Chemistry A, 2015, 119, 8422-8431.

(8) Yang Wang, Xiaokang Guo, Bohua Wu, Donghui Wei*, Mingsheng Tang *, Mechanistic and stereoselectivity study for the reaction of trifluoropyruvates with arylpropenes catalyzed by a cationic Lewis acid rhodium complex, RSC Advances, 2015, 5, 100147-100158.

(9) Wei Zhang, Xiaoyang Zhao, Yan Qiao*, Xiaokang Guo, Yanyan Wang, Donghui Wei*, Mingsheng Tang, Junlong Niu*, A DFT study on the reaction mechanisms of phosphonation of heteroaryl N-oxides with H-phosphonates, Computational and Theoretical Chemistry, 2015, 1071, 33-38.

2014

(1) Zhenyu Li, Donghui Wei*, Yang Wang, Yanyan Zhu*, Mingsheng Tang, DFT Study on the Mechanisms and Stereoselectivities of the [4+2] Cycloadditions of Enals and Chalcones Catalyzed by N-Heterocyclic Carbene, Journal of Organic Chemistry, 2014, 79, 3069-3078.

(2) Yunxia Li, Yanyan Zhu*, Wenjing Zhang, Yingying Ran, Donghui Wei*, Qilin Zhao, Mingsheng Tang, A DFT study on the reaction mechanism of dimerization of methyl methacrylate catalyzed by N-heterocyclic carbene, Physical Chemistry Chemical Physics, 2014, 16, 20001-20008.

(3) Yang Wang, Donghui Wei*, Wenjing Zhang, Yanyan Wang, Yanyan Zhu, Yu Jia, Mingsheng Tang*, A theoretical study on the mechanisms of the reactions between 1,3-dialkynes and ammonia derivatives for the formation of five-membered N-heterocycles, Organic and Biomolecular Chemistry, 2014, 12, 7503-7514.

(4) Mengmeng Zhang, Donghui Wei*, Yang Wang, Suiji Li, Jiefei Liu, Yanyan Zhu*, Mingsheng Tang, DFT study on the reaction mechanisms and stereoselectivities of NHC-catalyzed [2 + 2] cycloaddition between arylalkylketenes and electron-deficient benzaldehydes, Organic and Biomolecular Chemistry, 2014, 12, 6374-6383.

(5) Yang Wang, Donghui Wei*, Zhenyu Li, Yanyan Zhu, Mingsheng Tang*, DFT Study on the Mechanisms and Diastereoselectivities of Lewis Acid-Promoted Ketene-Alkene [2+2] Cycloadditions: What is the Role of Lewis Acid in the Ketene and C = X (X = O, CH2, and NH) [2+2] Cycloaddition Reactions? Journal of Physical Chemistry A, 2014, 118, 4288-4300.

(6) Xiaokang Guo, Lihui Chen, Yanyan Zhu, Anqi Zhang, Donghui Wei*, Mingsheng Tang*, A density functional theory study on lewis acid-catalyzed transesterification of β-oxodithioestersInternational Journal of Quantum Chemistry, 2014, 114, 862-868.

(7) Yanyan Zhu*, Hongge Zhao, Chunmei Liu, Donghui Wei*, Xue Li, Shijun Li, Mingsheng Tang, DFT studies on inclusion complexes of 1-phenyl-1-propanol enantiomers with modified cyclic decapeptides, Structural Chemistry, 2014, 25, 699-705.

(8) Yang Wang, Jianye Ren, Sujie Qi, Donghui Wei*, Mingsheng Tang*, Mechanistic insights into the stereoselective C2-functionalization of 1-substituted imidazoles with cyanophenylacetylene and aldehydes, Computational and Theoretical Chemistry, 2014, 1049, 35-41.

(9) Yanyan Zhu, Mingqiong Tong, Chunmei Liu, Chen Song, Donghui Wei*, Qilin Zhao, Mingsheng Tang*, Molecular dynamics simulations on inclusion complexes for chiral enantiomers with heterocyclic cyclodecapeptide, Computational and Theoretical Chemistry, 2014, 1027, 46-52.

2013

(1) Wenjing Zhang, Donghui Wei*, Mingsheng Tang*, DFT investigation on mechanisms and stereoselectivities of [2 + 2 + 2] multimolecular cycloaddition of ketenes and carbon disulfide catalyzed by N-heterocyclic carbenes, Journal of Organic Chemistry, 2013, 78, 11849-11859.

(2) Donghui Wei, Lei Fang, Mingsheng Tang, Chang-Guo Zhan*, Fundamental Reaction Pathway for Peptide Metabolism by Proteasome: Insights from First-Principles Quantum Mechanical/Molecular Mechanical Free Energy Calculations, Journal of Physical Chemistry B, 2013, 117, 13418-13434.

(3) Donghui Wei, Xiaoqin Huang, Junjun Liu, Mingsheng Tang, Chang-Guo Zhan*, Reaction Pathway and Free Energy Profile for Papain-Catalyzed Hydrolysis of N-Acetyl-Phe-Gly 4-Nitroanilide, Biochemistry, 2013, 52, 5145-5154.

(4) Shijun Li, Donghui Wei*, Yanyan Zhu*, Mingsheng Tang, A DFT study on the mechanisms of three-component reaction between imidazoles, isocyanates and cyanophenylacetylene, Computational and Theoretical Chemistry, 2013, 1017,168-173.

(5) Yang Wang, Donghui Wei*, Yanyan Zhu*, Pu Liu, Mingsheng Tang, A DFT study on the reaction mechanisms of isocyanide-based multicomponent synthesis of polysubstituted cyclopentenes, Computational and Theoretical Chemistry, 2013, 1018, 85-90.

2012:

(1) Donghui Wei, Beilei Lei, Mingsheng Tang, Chang-Guo Zhan*, Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin, Journal of the American Chemical Society, 2012, 134, 10436-10450.

2011:

(1) Donghui Wei, Yanyan Zhu*, Cong Zhang, Dongzhen Sun, Wenjing Zhang, Mingsheng Tang *, A DFT study on enantioselective synthesis of aza-beta-lactams via NHC-catalyzed [2+2] cycloaddition of ketenes with diazenedicarboxylates, Journal of Molecular Catalysis A: Chemical, 2011, 334, 108-115.

(2) Donghui Wei, Mingsheng Tang *, Wenjing Zhang, Jing Zhao, Ling Sun, Chufeng Zhao, Homgming Wang, A Density Functional Theory Study of the Enantioselective Reduction of Prochiral Ketones Promoted by Chiral Spiroborate Esters, International Journal of Quantum Chemistry, 2011, 111, 596-605.

(3) Donghui Wei, Liangguang Wang, Mingsheng Tang*, A DFT study on the thermal reaction mechanisms of fluorobutanesulfonyl azide with pyrazine under solvent free condition, Computational and Theoretical Chemistry, 2011, 968, 39-43.

2010:

(1) Donghui Wei, Wenjing Zhang, Yanyan Zhu*, Mingsheng Tang*, A DFT study on the reaction mechanisms of ketene-ketone [2+2+2] cycloaddition to form 3-aryglutaric anhydrides under a Lewis acid catalysis: What is the role of BF3? Journal of Molecular Catalysis A: Chemical, 2010, 326, 41-47.

(2) Donghui Wei, Chengxing Cui, Zhibo Qu, Yanyan Zhu*, Mingsheng Tan*, A computational study on the reaction mechanisms of N-formylation of amines under a Lewis acid catalysis, Journal of Molecular Structure (Theochem), 2010, 951, 89-92.

2009:

(1) Donghui Wei*, Mingsheng Tang *, DFT Study on the Mechanisms of Stereoselective C (2)-Vinylation of 1-Substituted Imidazoles with 3-Phenyl-2-propynenitrile, Journal of Physical Chemistry A, 2009, 113, 11035-11041.

(2) Donghui Wei, Mingsheng Tang *, Jing Zhao, Ling Sun, Wenjing Zhang, Chufeng Zhao, Shouren Zhang, Hongming Wang, A DFT study of the enantioselective reduction of prochiral ketones promoted by pinene-derived amino alcohols, Tetrahedron-Asymmetry, 2009, 20, 1020-1026.

2008:

(1) 魏东辉,唐明生*,王红明*,李松,赵晶,赵础峰,N'-苯亚甲基-苯并酰肼气相高温分解反应机理的密度泛函研究,化学学报20086603321-324


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