物理化学
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刘永军
发布时间:2017年05月18日 17:36    作者:    点击:[]

【个人简介】

刘永军(Liu Yong-Jun),男,196410月生,理学博士,教授,博士生导师。

联系电话: 0531-88365576

邮箱:yongjunliu_1@sdu.edu.cn

地址:山东省济南市历城区山大南路27号,山东大学中心校区化学新楼308


课题组主要研究方向:1)催化反应机理研究; 2)功能材料体系的理论计算与分子模拟。在国际期刊如J. Am. Chem. Soc., Nature Comm., ACS Catalysis, Phys. Chem. Chem. Phys., J. Phys. Chem. , Biochemistry 等发表SCI论文150余篇,主持承担国家自然科学基金面上项目、国防973项目子课题、中国科学院百人计划项目、省部级项目近20.



【学习及工作经历】

教育简历

2001.11-2004.06 加拿大Simon Fraser University, 化学系,博士后

1998.09-2001.06 山东大学,化学与化工学院,物理化学专业,理学博士学位

1985.09-1988.06 延边大学,理学院化学系, 有机化学专业,理学硕士学位

1981.09-1985.06 曲阜师范大学,化学与化工学院,化学专业,理学学士学位

工作经历

2004.10-至今山东大学化学与化工学院,教授, 物理化学专业, 博士生导师。

1988-2004 曲阜师范大学化学院工作,1992年晋升为讲师、1995年破格晋升为副教授、1998年破格晋升为教授。

2006年入选中国科学院百人计划2006-2012期间,兼任中国科学院西北高原生物研究所研究员。

20157月至今,兼任英国皇家化学会RSC Advances期刊副主编。


 

 


【主讲课程】

 结构化学(本科生),物理化学化学实验(本科生),计算量子化学(研究生).

【研究领域和兴趣】

1.酶催化反应机理研究

主要采用理论化学方法对一些重要蛋白酶的催化机理进行研究,重点探讨活性中心进行的化学反应过程、各种中间体和过渡态的结构和能量关系,研究重要残基对催化反应的影响规律,为酶催化反应的实验研究、酶工程奠定重要的理论基础。

2.金属有机催化反应研究

主要采用理论化学方法研究一些新颖的有机金属催化剂的催化反应机理,包括反应的立体选择性和区域选择性活性研究,设计活性更高的催化剂。

3.功能材料体系的理论计算与分子模拟

主要采用量子化学方法对一些重要功能材料的结构-性能关系进行研究,设计性能更优的功能材料。


 

【主要论著】

发表的代表性论文:

1. Hong Li and Yongjun Liu*. Mechanistic Investigation of Isonitrile Formation Catalyzed by the Nonheme Iron/α-KG-Dependent Decarboxylase (ScoE).

ACS Catalysis. 2020, 10, 2942-2957.

2. Xinyi Li, Wenyou Zhu and Yongjun Liu*. Mechanistic Insights into the Oxidative Rearrangement Catalyzed by the Unprecedented Dioxygenase ChaP Involved in Chartreusin Biosynthesis.

Inorg. Chem. 2020, 59, 13988-13999.

3. Yaru Liu, Junyou Shi and Yongjun Liu*. Mechanistic Insights into the Oxidative Ring Expansion from Penicillin N to Deacetoxycephalosporin C Catalyzed by a Nonheme Iron(II) and α‑KG-Dependent Oxygenase.

Inorg. Chem. 2020, 59, 12218-12231.

4. Shiqing Zhang and Yongjun Liu*. Mechanical Insights into the Enzymatic Cleavage of Double C-C Bond in Poly(cis-1,4-isoprene) by the Latex Clearing Protein.

 Inorg. Chem. 2020, 59, 9627-9637.

5. Xinyi Li, Lihua Dong and Yongjun Liu*. Theoretical Study of Iron Porphyrin Nitrene: Formation Mechanism, Electronic Nature, and Intermolecular C-H Amination.

Inorg. Chem. 2020, 59, 1622-1632.

6. Lijuan Yan and Yongjun Liu*. The Retaining Mechanism of Xylose Transfer Catalyzed by Xyloside α‑1,3-Xylosyltransferase (XXYLT1): a Quantum Mechanics/Molecular Mechanics Study.

J. Chem. Inf. Model. 2020, 60, 1585-1594.

7. Xiaoyun Lu, Yuwan Liu, Yiqun Yang1, Shanshan Wang, Qian Wang, Xiya Wang, Zhihui Yan, Jian Cheng,Cui Liu, Xue Yang, Hao Luo, Sheng Yang, Junran Gou, Luzhen Ye, Lina Lu, Zhidan Zhang, Yu Guo,Yan Nie, Jianping Lin, Sheng Li, Chaoguang Tian, Tao Cai, Bingzhao Zhuo, Hongwu Ma,Wen Wang, Yanhe Ma, Yongjun Liu*, Yin Li*, Huifeng Jiang*. Constructing a synthetic pathway for acetylcoenzyme A from one-carbon through enzyme design.

Nature Communications, 2019, 10,137.

8. Lijuan Yan and Yongjun Liu*. Insights into the Mechanism and Enantioselectivity in the Biosynthesis of Ergot Alkaloid Cycloclavine Catalyzed by Aj_EasH from Aspergillus japonicas.

Inorg. Chem. 2019, 58, 13771-13781.

9. Hong Li, Wenyou Zhu, and Yongjun Liu*. Mechanism of Uncoupled Carbocyclization and Epimerization Catalyzed by Two Non-Heme Iron/α-Ketoglutarate Dependent Enzymes.

 J. Chem. Inf. Model. 2019, 59, 5086-5098.

10. Jie Bai, Qianqian Hou, Wenyou Zhu and Yongjun Liu*. Mechanical insights into the oxidative cleavage of resveratrol catalyzed by dioxygenase NOV1 from Novosphingobium aromaticivorans: confirmation of dioxygenase mechanism by QM/MM calculations.

Catal. Sci. Technol., 2019, 9, 444.

11. Jie Bai, Lijuan Yan and Yongjun Liu*. Catalytic mechanism of the PrhA (V150L/A232S) double mutant involved in the fungal meroterpenoid biosynthetic pathway: a QM/MM study.

Phys. Chem. Chem. Phys., 2019, 21, 25658.

12. Shiqing Zhang and Yongjun Liu*. Mechanism of fatty acid decarboxylation catalyzed by a non-heme iron oxidase (UndA): a QM/MM study.

Org. Biomol. Chem., 2019, 17, 9808.

13. Ge Tian, Hao Su, and Yongjun Liu*.Mechanism of Sulfoxidation and C−S Bond Formation Involved in the Biosynthesis of Ergothioneine Catalyzed by Ergothioneine Synthase (EgtB).

 ACS Catalysis. 2018, 8, 5875-5889.

14. Hao Su, Xiang Sheng, Wenyou Zhu, Guangcai Ma, and Yongjun Liu*.Mechanistic Insights into the Decoupled Desaturation and Epoxidation Catalyzed by Dioxygenase AsqJ Involved in the Biosynthesis of Quinolone Alkaloids.

ACS Catalysis. 2017, 7, 5834-5843.

15. Beibei Lin, Guangcai Ma, and Yongjun Liu*. Mechanism of the Glutathione Persulfide Oxidation Process Catalyzed by Ethylmalonic Encephalopathy Protein 1.

ACS Catalysis. 2016, 6, 7010-7020.

16. Guangcai Ma, Wenyou Zhu, Hao Su, Na Cheng, Yongjun Liu*.Uncoupled Epimerization and Desaturation by Carbapenem Synthase: Mechanistic Insights from QM/MM Studies.

ACS Catalysis. 2015, 5, 5556-5566.

17. Wenyou Zhu, Yongjun Liu*.Ring Contraction Catalyzed by the Metal-Dependent Radical SAM Enzyme: 7Carboxy-7-deazaguanine Synthase from B. multivorans. Theoretical Insightsinto the Reaction Mechanism and the Inuence of Metal Ions.

ACS Catalysis. 2015, 5, 3953-3965.

18. Xiaohua Chen*, Guangcai Ma, Weichao Sun, Hongjing Dai, DongXiao, Yangfang Zhang, Xin Qin, YongjunLiu*, Yuxiang Bu. Water promoting electron hole transport betweentyrosine and cystein in proteins via special mechanism: Double proton coupledelectron transfer.

J. Am. Chem. Soc. 2014, 136, 4515-4524.

19. Xiya Wang, Junyou Shi, and Yongjun Liu*. Oxidative Rearrangement Mechanism of Pentalenolactone F Catalyzed by Cytochrome P450 CYP161C2 (PntM).

Inorg. Chem. 2018, 57, 8933-8941.

20. Hao Su, Guangcai Ma, and Yongjun Liu*. Theoretical Insights into the Mechanism and Stereoselectivity of Olefin Cyclopropanation Catalyzed by Two Engineered Cytochrome P450 Enzymes.

 Inorg. Chem. 2018, 57, 11738-11745.

21. Hong Li, Xiya Wang, Ge Tian and Yongjun Liu*. Insights into the dioxygen activation and catalytic mechanism of the nickel-containing quercetinase.

 Catal. Sci. Technol.,2018, 8, 2340.

22. Xiya Wang,Wenyou Zhu and Yongjun Liu*. Tryptophan lyase (NosL): mechanistic insights into amine dehydrogenation and carboxyl fragment migration by QM/MM calculations.

 Catal. Sci. Technol.,2017, 7, 2846.

23. Xiya Wang, Hao Su and Yongjun Liu*. Insights into the unprecedented epoxidation mechanism of fumitremorgin B endoperoxidase (FtmOx1) from Aspergillus fumigatus by QM/MM calculations.

Phys. Chem. Chem. Phys., 2017, 19, 7668.

24. Ge Tian and Yongjun Liu*. Mechanistic insights into the catalytic reaction of ferulic acid decarboxylase from Aspergillus niger: a QM/MM study.

Phys. Chem. Chem. Phys., 2017, 19, 7733

25. Hao Su, Xiang Sheng and Yongjun Liu*. Exploring the substrate specificity and catalytic mechanism of imidazolonepropionase (HutI) from Bacillus subtilis.

Phys.Chem.Chem.Phys., 2016, 18,27928.

26. Shujun Zhang, Xiya Wang and Yongjun Liu*. Cleavage mechanism of the aliphatic C–C bond catalyzed by 2,4-dihydroxyacetophenone dioxygenase from sp. 4HAP: a QM/MM study.

 Catal. Sci. Technol., 2017, 7,911.

27. Hao Su, Xiang Sheng and Yongjun Liu*. Insights into the catalytic mechanism of N-acetylglucosaminidase glycoside hydrolase from Bacillus subtilis: a QM/MM study.

Org. Biomol. Chem. 2016, 14, 3432.

28. Wenyou Zhu,Yongjun Liu*, and Baoping Ling. Quantum Mechanics and Molecular Mechanics Study of the Catalytic Mechanism of Human AMSH-LP Domain Deubiquitinating Enzymes.

Biochemistry, 2015, 54, 5225-5234.

29. Qianqian Hou, Xiang Sheng, and Yongjun Liu*.QM/MM studies of the mechanism of unusual bifunctional fructose-1,6-bisphosphate aldolase/phosphatase.

 Phys. Chem. Chem. Phys. 2014, 16, 11366.

30. Xiang Sheng, and Yongjun Liu*. A QM/MM study of the catalytic mechanism of nicotinamidase.

 Org. Biomol. Chem. 2014, 12, 1265.



 

 

【科研项目】


主持的国家级科研项目:

1. 国家自然科学基金面上项目(2021.1-2024.12): 酶催化降解含卤芳香烃污染物机理的理论研究

2. 国家重点研发计划子课题(2020.1-2024.12):新分子的生化反应设计与生物合成

3. 国家自然科学基金面上项目(2018.1-2021.12): 基于脂肪酸生物合成脂肪烃的酶催化脱羧及脱甲酰基机理研究

4. 国家自然科学基金面上项目(2016.1-2017.12):几类SAM自由基酶催化机理的理论研究

5. 国家自然科学基金面上项目 (2014.1-2017.12): alpha-糖苷酶与糖苷合成酶的催化机理研究

6. 国家自然科学基金面上项目 (2012.1-2015.12): 维生素B1依赖酶催化机理的理论研究

7. 国防973子课题(2010.1-2014.12):典型超级xxxxxx

8. 中国科学院“百人计划”项目(择优支持)


另外主持完成其它省部级及横向项目10余项。



【拟招收研究生情况】

每年拟招收博士研究生1名,硕士生1-2名。毕业的研究生主要在高等学校和科研院所从事教学和科研工作。

 

 

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