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朱艳艳


朱艳艳,1979年12月,博士,副教授,硕士生导师

教学方面:讲授《结构化学》、《理论计算化学》、《量子化学》、《线性代数与群论》等课程,指导本科生、研究生科研工作。荣获2020年河南省教学标兵,2020年河南省教学技能竞赛一等奖,郑州大学“三育人”先进个人,郑州大学青年骨干教师。

科研方面:主要从事理论与计算化学领域的研究。主要关注生物体系的分子模拟,如多胺类药物分子与DNA作用模式的分子对接、金属核酸酶构筑与设计的分子模拟、包含金属中心的药物小分子的力场发展、酶催化及有机反应机理、主客体分子识别、蛋白-蛋白相互作用的分子模拟、蛋白药物的分子设计等领域的研究,积累了丰富的工作经验,并取得了一系列与项目相关的创新性成果,先后在Nucleic Acids Research、Journal of Organic Chemistry、Journal of Computational Chemistry、Physical Chemistry Chemical Physics、Journal of Physical Chemistry A、Journal of Physical Chemistry B、Organic & Biomolecular Chemistry、Journal of Molecular Catalysis A: Chemical、Theoretical Chemistry Accounts、Chemical Physics Letters等多种国际知名专业期刊上发表SCI收录论文40余篇。

联系方式:

邮箱:zhuyan@zzu.edu.cn

学习经历:

2009.10—2012.4郑州大学化学学院博士后

2006.9—2009.6北京师范大学化学学院博士研究生

2003.9—2006.6郑州大学化学学院硕士研究生

1997.9—2001.6郑州大学化学学院系本科生

工作经历:

2013.4— 至今 郑州大学化学学院副教授

2013.11—2014.6 / 2018.12—2019.12美国肯塔基大学药学院访问学者

2009.7—2013.3郑州大学化学学院讲师

研究方向:

1、主客体分子识别

2、蛋白药物分子设计

3、新型有机反应机理探索

主持项目:

1、金属核酸酶与DNA结合模式及切割活性的理论研究,国家自然科学基金委青年科学基金,21001095,2011-01至2013-12,19万元,已结题,主持

2、人工金属核酸酶与双链DNA作用模式的理论研究,第48批中国博士后科学基金面上项目,20100480858,2011-05至2013-12,3万元,已结题,主持

3、河南省教育厅重点科研项目,15A150082,氮杂环卡宾催化有机反应机理的理论探索,2015-01至2016-12,2万元,已结题,主持

4、光触媒催化空气净化机的研发,160万,2022年8月-2023年7月

代表论文:

1. Xiaoyan Yang, Qiqi Hao, Shijun Li*,Yanyan Zhu*, Yu Lan*, Theoretical study on mechanism of cycloaddition reaction between o-alkynylbenzaldoximes and hexynol catalyzed by silver(I), Molecular Catalysis 2022, 522, 112227.

2. Qiqi Hao, Nan He, Yi Wang, Xiaoyan Yang, Yonghuan Wang,Yanyan Zhu*, Lingbo Qu*, Theoretical insights into phosphine-catalyzed [4 + 2] annulation of allenoates with thiazolone-derived alkenes, J. Phys. Org. Chem. 2021, 34, e4215.

3. Nan He,Yanyan Zhu*, Zhenhua Zhu, Yankai Yang, Wenjing Zhang, Donghui Wei, Lingbo Qu*, Mingsheng Tang, Hongsheng Chen*, A density functional theory study on mechanisms of [4+2] annulation of enal with alpha-methylene cycloalkanone catalyzed by N-heterocyclic carbene, Int. J. Quantum Chem. 2020, 119, e26039.

4. Fengli Wei, Xuewei Huang, Zhaoxun Lian*,Yanyan Zhu*, Fengqi Guo*, Computational and experimental assessment on the nonlinear optical properties of platinum(II) arylacetylides with donor-acceptor structures, J. Organomet. Chem. 2019, 904, 121003.

5. Xinqiang Cheng, Jiankai Shan, Xinshe Tian, Yun-Lai Ren*,Yanyan Zhu*, Benzylation of Arenes with Benzyl Halides under Promoter-Free and Additive-Free Conditions, Eur. J. Org. Chem. 2019, 4404.

6. Hao Xu, Zhenhua Zhu, Yuen Guo, Chunmei Liu, Wenjing Zhang,Yanyan Zhu*, Yulong Wang, Mingsheng Tang, A DFT study on N-heterocyclic carbene catalyzed [4+2] annulation reaction with in situ generated heterocyclic ortho-quinodimethane: Mechanism, origin of enantioselectivity and role of catalyst, Tetrahedron 2018, 74, 1009-1015.

7. Junyue Shen, Mengdi Wang, Yanfang Wang, Jingya Hu,Yanyan Zhu*, Yuxin Zhang*, Zhongjun Li, Hongchang Yao*, Iron and carbon codoped WO3 with hierarchical walnut-like microstructure for highly sensitive and selective acetone sensor, Sens. Actuators B 2018, 256, 27-37

8. Xiyan Dong, Xue Li, Bo Li,Yanyan Zhu*, Shuangquan Zang*, Mingsheng Tang, Water sandwiched by a pair of aromatic rings in a proton-conducting metal–organic framework, Dalton Trans. 2016, 45, 18142-18146

9. Chunmei Liu, Yanyan Zhu*, Mingsheng Tang*, Theoretical studies on binding modes of copper-based nucleases with DNA, J. Mol. Graphics Model. 2016, 64, 11-29

10. Chunmei Liu, Bin Zhang, Yanyan Zhu*, Mingsheng Tang*, Evaluations of AMBER force field parameters by MINA approachfor copper-based nucleases, Struct. Chem. 2016, 27, 1449-1464

11. Xuening Zhang, Mingsheng Tang, Fangfang Li, Yanyan Zhu*, Chunmei Liu, Wenjing Zhang, Donghui Wei, Theoretical study on binding models of copper nucleases containing pyridyl groups to DNA,Theor. Chem. Acc. 2015, 134, 94

12. Yunxia Li, Yanyan Zhu*, Wenjing Zhang, Donghui Wei*, Yingying Ran, Qilin Zhao, Mingsheng Tang, A DFT study on the reaction mechanism of dimerization of methyl methacrylate catalyzed by N-heterocyclic carbene,Phys. Chem. Chem. Phys. 2014, 16,20001-20008

13. 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, J. Org. Chem. 2014, 79, 3069-3078

14. 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, Org. Biomol. Chem. 2014, 12, 6374-6383

15.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, Comput. Theor. Chem. 2014, 1027, 46-52

16. Chunmei Liu, Yanyan Zhu*, Peipei Chen, Mingsheng Tang*, Theoretical simulations on interactions of mono- and dinuclear metallonucleases with DNA, J. Phys. Chem. B 2013, 117, 1197-1209

17. Wenjing Zhang, Yanyan Zhu*, Donghui Wei, Yunxia Li, Mingsheng Tang*, Theoretical investigations toward the [4+2] cycloaddition of ketenes with N?benzoyldiazenes catalyzed by N?heterocyclic carbenes: mechanism and enantioselectivity, J. Org. Chem. 2012, 77, 10729-10737

18. Wenjing Zhang, Yanyan Zhu*, Donghui Wei, Mingsheng Tang*,Mechanisms of the cascade synthesis of substituted 4-amino-1,2,4-triazol-3-one from huisgen zwitterion and aldehyde hydrazone: a DFT study, J. Comput. Chem. 2012,33, 715-722

19. Hongge Zhao, Yanyan Zhu*, Mingqiong Tong, Juan He, Chunmei Liu, Mingsheng Tang*, Density functional theory studies on the inclusion complexes of cyclic decapeptide with 1-phenyl-1-propanol enantiomers, J. Mol. Model 2012, 18, 851-858.

20. Donghui Wei, Yanyan Zhu*, Cong Zhang, Dongzhen Sun, Wenjing Zhang, Mingsheng Tang*, A DFT study on enantioselective synthesis of aza-β-lactams via NHC-catalyzed [2+2] cycloaddition of ketenes with diazene dicarboxylates, J. Mol. Catal A: Chemical 2011, 334, 108-115

21. Cong Zhang, Yanyan Zhu*, Donghui Wei, Dongzhen Sun, Wenjing Zhang, Mingsheng Tang*, Theoretical study on the reaction mechanism between 6-Benzyl-6-azabicyclo [2.2.1] hept-2-ene and benzoyl isocyanate to urea and isourea, J. Phys. Chem. A 2010,114,2913-2919.

22. Dongzhen Sun, Yanyan Zhu*, Donghui Wei, Cong Zhang, Wenjing Zhang, Mingsheng Tang*, Insight into the multicomponent reaction mechanisms of prop-2-en-1-amine and ethyl propiolate with alloxan derivative: a density functional theory study, Chem. Phys. Lett.2010, 495, 33-39.

23.Yanyan Zhu, Yan Wang*, Guangju Chen*, Differences in conformational dynamics of [Pt3(HPTAB)]6+–DNA adducts with various cross-linking modes, Nucleic Acids Res. 2009, 37, 5930-5942

24.Yanyan Zhu, Yan Wang*, Guangju Chen*, Molecular dynamics simulations on binding models of Dervan-type polyamide + Cu(II) nuclease ligands to DNA, J. Phys. Chem. B 2009, 113, 839-848

25.Yanyan Zhu, Yan Wang*, Guangju Chen*, Chang-Guo Zhan, A three-point method for evaluations of AMBER force field parameters: an application to copper-based artificial nucleases, Theor. Chem. Account 2009, 122, 167-178.

26.Yanyan Zhu, Yanwei Su, Xichen Li, Yan Wang*, Guangju Chen*, Evaluation of AMBER force field parameters for copper(II) with pyridylmethyl- amine and benzimidazolylmethyl-amine ligands: a quantum chemical study, Chem. Phys. Lett. 2008, 455, 354-360