魏東輝，男，1983年12月生，教授，鄭州大學博士研究生導師。
基本介紹
- 中文名：魏東輝
- 畢業院校：鄭州大學
- 學位/學歷：博士
- 專業方向：化學分子與工程
- 職務：鄭州大學博士研究生導師
- 職稱：教授
人物經歷,研究方向,教授課程,主要貢獻,
人物經歷
2022.02—至今 鄭州大學化學學院 教授
2017.01—2022.02 鄭州大學化學學院 副教授
2013.01—2016.12 鄭州大學化學與分子工程學院 講師
2010.10—2012.11 美國肯塔基大學藥學院 國家公派聯合培養博士
2006.09—2012.12 鄭州大學化學分子與工程學院 博士
2002.09—2006.07 鄭州大學化學系 本科
研究方向
(1)有機小分子和有機金屬催化反應的理論研究（DFT方法），特別是路易斯鹼不對稱催化反應及其選擇性的理論研究。
(2)酶催化和抑制反應機理的理論研究（QM/MM方法）。
教授課程
《結構化學》、《理論與計算化學》、《線性代數》、《Gussian程式套用》、《物理化學實驗》
主要貢獻
主持科研項目（課題）情況：
（1）國家自然科學基金面上項目，21773214，不含金屬和輔因子的氧化酶和加氧酶催化反應機理的理論研究，2018/01-2021/12，在研，主持；
（2）鄭州大學優秀青年教師發展基金，氮雜環卡賓催化的環化、C-H活化和C-C活化反應的理論研究，2015/12-2018/12，在研，主持；
（3）中國博士後科學基金第八批特別資助項目，2015T80776，尿酸酶催化氧化和水化反應的理論研究，2015/07-2016/12，已結題，主持；
（4）國家自然科學基金青年科學基金項目，21303167，蛋白酶體與不同類型抑制劑反應的理論研究，2014/01-2016/12，已結題，主持；
（5）中國博士後科學基金第53批面上一等資助項目，2013M530340，蛋白酶體催化水解反應的理論研究，2013/05-2016/12，，已結題，主持；
以第一或通訊作者身份發表的論文：
(1)Wei, Donghui，Lei, Beilei，Tang, Mingsheng，Zhan, Chang-Guo*，Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin，Journal of the American Chemical Society，2012，134（25）：10436-10450。
(2) Guo, Xiao-Kang，Zhang, Lin-Bao，Wei, Donghui*,Niu,Jun-Long*，Mechanistic insights into cobalt(ii/iii)-catalyzed C-H oxidation: a combined theoretical and experimental study，Chemical Science，2015，6（12）：7059-7071。
(3) Wang, Yanyan，Wei, Donghui*，Wang, Yang，Zhang, Wenjing，Tang, Mingsheng*,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（1）：279-289。
(4)Wei, Donghui*,Huang, Xiaoqin, Qiao, Yan, Rao, Jingjing, Wang, Lu, Liao, Fei, Zhan, 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。
(5) Liu, Ning*, Xie, Yafei, Wang, Chuan, Li, Shijun,Wei, Donghui*, Dai, Bin*, Cooperative Muti-Functional Organocatalysts for Ambient Conversion of Carbon Dioxide into Cyclic Carbonates,ACS Catalysis,2018, 10.1021/acscatal.8b01925。
(6) Wang, Yang, Du, Cong, Wang, Yanyan, Guo, Xiaokang, Fang, Lei, Song, Mao-Ping, Niu, Jun-Long*,andWei, Donghui *,High-Valent Cobalt Catalyzed C-H Activation/Annulationof2-Benzamidopyridine 1-Oxide with Terminal Alkyne: A Combined Theoretical and Experimental Study,Advanced Synthesis & Catalysis,2018,360(14), 2668-2677.
(7) Wang, Yang,Wei, Donghui*, Zhang, Wenjing*, Recent Advances on Computational Investigations of N-Heterocyclic Carbene Catalyzed Cycloaddition/Annulation Reactions: Mechanism and Origin of Selectivities,ChemCatChem,2018, 10, 338 – 360。
(8) Wang, Yang, Qiao, Yan,Wei, Donghui*,Tang, Mingsheng, Computational study on NHC-catalyzed enantioselective and chemoselective fluorination of aliphatic aldehydes,Organic Chemistry Frontiers,2017, 4；1987-1998.
(9) Wang, Yang,Wei, Donghui*,Tang, Mingsheng,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.
(10) Wang, Yang，Tang, Mingsheng，Wang, Yanyan，Wei, Donghui*，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（13）：5370-5380。
(11) Qiao, Yan，Wei, Donghui*,Chang, Junbiao*，Insights into the Unexpected Chemoselectivity for the N-Heterocyclic Carbene-Catalyzed Annulation Reaction of Allenals with Chalcones，Journal of Organic Chemistry，2015，80（17）：8619-8630。
(12) Li, Zhenyu，Wei, Donghui*，Wang, Yang，Zhu, Yanyan*，Tang,Mingsheng，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（7）：3069-3078。
(13) Zhang, Wenjing，Wei, Donghui*，Tang, Mingsheng*，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（23）：11849-11859。
(14) Wang, Yang，Wu, Bohua，Zheng, Linjie，Wei, Donghui*，Tang, Mingsheng*，DFT perspective toward [3 + 2] annulation reaction of enals with α-ketoamides through NHC and Br➢nsted acid cooperative catalysis: mechanism, stereoselectivity, and role of NHC，Organic Chemistry Frontiers，2016，3（2）：190-203。
(15) Wang, Yang，Zheng, Linjie，Wei, Donghui*，Tang, Mingsheng*，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（8）：874-884。
(16) Wang, Yang，Wu, Bohua，Zhang, Haoyang，Wei, Donghui*，Tang, Mingsheng，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（29）：19933-19943。
(17) Li, Yunxia，Zhu, Yanyan*, Zhang, Wenjing，Ran, Yingying，Wei, Donghui*,Zhao, Qilin，Tang, Mingsheng，A DFT study on the reaction mechanism of dimerization of methyl methacrylate catalyzed by N-heterocyclic carbene，Physical Chemistry Chemical Physics，2014，16（37）：20001-20008。
(18)Wei, Donghui，Tang, Mingsheng，Zhan, Chang-Guo*，Fundamental reaction pathway and free energy profile of proteasome inhibition by syringolin A (SylA)，Organic and Biomolecular Chemistry，2015，13（24）：6857-6865。
(19) Wang, Yang，Wei, Donghui*，Zhang, Wenjing，Wang, Yanyan，Zhu, Yanyan，Jia, Yu，Tang, Mingsheng*，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（38）：7503-7514。
(20) Zhang, Mengmeng，Wei, Donghui*，Wang, Yang，Li, Suiji，Liu,Jiefei，Zhu, Yanyan*，Tang, Mingsheng，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（33）：6374-6383。
(21)Wei, Donghui#，Zhu, Xinju#，Niu, Jun-Long *，Song, Mao-Ping *，High-Valent-Cobalt-Catalyzed C-H Functionalization Based on Concerted Metalation-Deprotonation and Single-Electron-Transfer Mechanisms，ChemCatChem，2016，8（7）：1242-1263。
(22) Zheng, Linjie，Wang, Yang，Wei, Donghui*，Qiao, Yan*，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（21）：3046-3054。
(23) Zheng, Linjie，Tang, Mingsheng，Wang, Yang，Guo, Xiaokang，Wei, Donghui*，Qiao, Yan*，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（11）：3130-3141。
(24) Zhang, Wei，Wang, Yang，Wei, Donghui*，Tang, Mingsheng，Zhu, Xinju*，A DFT study on NHC-catalyzed intramolecular aldehyde-ketone crossed-benzoin reaction: mechanism, regioselectivity, stereoselectivity, and role of NHC，Organic & Biomolecular Chemistry，2016，14（27）：6577-6590。
(25) Wang, Yanyan，Wang, Yang，Zhang, Wenjing，Zhu, Yanyan，Wei, Donghui*，Tang, Mingsheng*，Mechanisms and stereoselectivities of the Rh(I)-catalyzed carbenoid carbon insertion reaction of benzocyclobutenol with diazoester，Organic and Biomolecular Chemistry，2015，13（23）：6587-6597。
(26) Li, Shijun，Tang, Huabiao，Wang, Yang，Zhu, Yanyan，Fang, De-Cai，Wei, Donghui*，Tang, Mingsheng*，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。
(27)Wei, Donghui，Zhu, Yanyan*，Zhang, Cong，Sun, Dongzhen，Zhang,Wenjing，Tang, Mingsheng*，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（1-2）：108-115。
(28)Wei, Donghui，Zhang, Wenjing，Zhu, Yanyan*，Tang, Mingsheng*，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（1-2）：41-47。
(29) Wang, Yang，Guo, Xiaokang，Tang, Mingsheng*，Wei, Donghui*，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（30）：8422-8431。
(30) Wang, Yang，Wei, Donghui*，Li, Zhenyu，Zhu, Yanyan，Tang,Mingsheng*，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（24）：4288-4300。
(31)Wei, Donghui，Fang, Lei，Tang, Mingsheng，Zhan, Chang-Guo*，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（43）：13418-13434。
(32)Wei, Donghui，Tang, Mingsheng*，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（41）：11035-11041。
(33)Wei, Donghui，Huang, Xiaoqin，Liu, Junjun，Tang, Mingsheng，Zhan, Chang-Guo*，Reaction Pathway and Free Energy Profile for Papain-Catalyzed Hydrolysis of N-Acetyl-Phe-Gly 4-Nitroanilide，Biochemistry，2013，52（30）：5145-5154。
(34) Wang, Yang，Guo, Xiaokang，Wu, Bohua，Wei, Donghui*，Tang, Mingsheng*，Mechanistic and stereoselectivity study for the reaction of trifluoropyruvates with arylpropenes catalyzed by a cationic Lewis acid rhodium complex，RSC Advances，2015，5（121）：100147-100158。
(35) Qiao, Yan，Yang, Wanjing，Wei, Donghui*，Chang, Junbiao*，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（75）：70723-70731。
(36)Wei, Donghui，Tang, Mingsheng*，Zhao, Jing，Sun, Ling，Zhang,Wenjing，Zhao, Chufeng，Zhang, Shouren，Wang, Hongming，A DFT study of the enantioselective reduction of prochiral ketones promoted by pinene-derived amino alcohols，Tetrahedron-Asymmetry，2009，20（9）：1020-1026。
(37) Zhang, Wei，Qiao, Yan，Wang, Yang，Tang, Mingsheng，Wei, Donghui*，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。
(38)Wei, Donghui，Tang, Mingsheng*，Zhang, Wenjing，Zhao, Jing，Sun,Ling，Zhao, Chufeng，Wang, Homgming，A Density Functional Theory Study of the Enantioselective Reduction of Prochiral Ketones Promoted by Chiral Spiroborate Esters，International Journal of Quantum Chemistry，2011，111（3）：596-605。
(39) Guo, Xiaokang，Chen, Lihui，Zhu, Yanyan，Zhang, Anqi，Wei, Donghui*，Tang, Mingsheng*，A density functional theory study on lewis acid-catalyzed transesterification of β-oxodithioesters，International Journal of Quantum Chemistry，2014，114（13）：862-868。
(40) Zhu, Yanyan*，Zhao, Hongge，Liu, Chunmei，Wei, Donghui*，Li, Xue，Li, Shijun，Tang, Mingsheng，DFT studies on inclusion complexes of 1-phenyl-1-propanol enantiomers with modified cyclic decapeptides，Structural Chemistry，2014，25（3）：699-705。
(41)魏東輝，唐明生*，王紅明*，李松，趙晶，趙礎峰，N'-苯亞甲基-苯並醯肼氣相高溫分解反應機理的密度泛函研究，化學學報，2008，66（03）：321-324。
(42)Wei, Donghui，Cui, Chengxing，Qu, Zhibo，Zhu, Yanyan*，Tang,Mingsheng*，A computational study on the reaction mechanisms of N-formylation of amines under a Lewis acid catalysis，Journal of Molecular Structure (Theochem)，2010，951（1-3）：89-92。
(43)Wei, Donghui，Wang, Liangguang，Tang, Mingsheng*，A DFT study on the thermal reaction mechanisms of fluorobutanesulfonyl azide with pyrazine under solvent free condition，Computational and Theoretical Chemistry，2011，968（1-3）：39-43.
(44) Li, Shijun，Wei, Donghui*，Zhu, Yanyan*，Tang, Mingsheng，A DFT study on the mechanisms of three-component reaction between imidazoles, isocyanates and cyanophenylacetylene，Computational and Theoretical Chemistry，2013，1017：168-173。
(45) Wang, Yang，Wei, Donghui*，Zhu, Yanyan*，Liu, Pu，Tang, Mingsheng，A DFT study on the reaction mechanisms of isocyanide-based multicomponent synthesis of polysubstituted cyclopentenes，Computational and Theoretical Chemistry，2013，1018：85-90。
(46) Wang, Yang，Ren, Jianye，Qi, Sujie，Wei, Donghui*，Tang, Mingsheng*，Mechanistic insights into the stereoselective C2-functionalization of 1-substituted imidazoles with cyanophenylacetylene and aldehydes，Computational and Theoretical Chemistry，2014，1049：35-41。
(47) Zhu, Yanyan，Tong ,Mingqiong，Liu, Chunmei，Song, Chen，Wei, Donghui*，Zhao, Qilin，Tang, Mingsheng*，Molecular dynamics simulations on inclusion complexes for chiral enantiomers with heterocyclic cyclodecapeptide，Computational and Theoretical Chemistry，2014，1027：46-52。
(48) Zhang, Wei，Zhao, Xiaoyang，Qiao, Yan*，Guo, Xiaokang，Wang, Yanyan，Wei, Donghui*，Tang, Mingsheng，Niu, Junlong*，A DFT study on the reaction mechanisms of phosphonation of heteroaryl N-oxides with H-phosphonates，Computational and Theoretical Chemistry，2015，1071：33-38。
(49) Zhang, Wei, Wang, Yang, Wang, Lidong, Wang, Zhiyu,Wei, Donghui*,Tang, Mingsheng, Insights into chemoselective fuorination reaction of alkynals via N‑heterocyclic carbene and Br➢nsted base cooperative catalysis,Theoretical Chemistry Accounts,2017, 136: 94。
(50)Wang, Wei, Wang, Yang, Zheng, Linjie, Qiao, Yan,Wei, Donghui*,A DFT Study on Mechanisms and Origin of Selectivity of Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates,ChemistrySelect,2017, 2: 5266–5273。
(51) Wang, Wei,Wei, Donghui*,A DFT Study of N-Heterocyclic Carbene Catalyzed [4+2] Annulation between Saturated Carboxylate with ortho-Quinone Methide: Possible Mechanisms and Origin of Enantioselectivity,ChemistrySelect,2017, 2; 8856-8864.
(52) Li, Xue,Wei, Donghui*,Li, Zhongjun*, 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.
(53) Shi, Qianqian, Wang, Yang,Wei, Donghui*,Theoretical study on DABCO-catalyzed ring expansion of cyclopropyl ketone: Mechanism, chemoselectivity, and role of catalyst,Computational and Theoretical Chemistry,2018, 1123, 20–25.
(54) Shi, Qianqian, Wang, Yang,Wei, Donghui*,Insights into the isothiourea-catalyzed asymmetric [4 + 2] annulation of phenylacetic acid with alkylidene pyrazolone,Organic & Biomolecular Chemistry,2018,16, 2301-2311.
(55) Li, Xue, Tang, Mingsheng, Wang, Yanyan, Wang, Yang, Li, Zhongjun*, Qu, Ling-Bo,Wei, Donghui*,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.
(56) Wang, Yang, Zhang, Shou-Ren, Wang, Yanyan, Qu, Ling-Bo*, andWei, Donghui *,Insights into the NHC-catalyzed cascade Michael/aldol/lactamization reaction: mechanism and origin of stereoselectivity,Organic Chemistry Frontiers,2018,5,2065-2072.
(57) Li, Xue, Wang, Yanyan, Wang, Yang, Tang, Mingsheng, Qu, Ling-Bo, Li, Zhongjun*, andWei, Donghui *,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.
(58) Wang, Yang, Wang, Yanyan, Wang, Xinghua, Li, Xue, Qu, Ling-Bo*, andWei, Donghui*, 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.
(59) Shi, Qianqian, Wang, Yang, Wang, Yanyan, Qu, Ling-Bo, Qiao, Yan*, andWei, Donghui*, Insights into N-heterocyclic carbene-catalyzed [3 + 4] annulation reactions of 2-bromoenals with N-Ts hydrazones,Organic Chemistry Frontiers,2018,5, 2739 -2748.
