个人简介：

刘永军（Liu Yongjun），男，1964年10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室

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项.

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/理论与计算化学专业, 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。

2015年7月至今，兼任英国皇家化学会RSC Advances期刊副主编。

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”人才项目（择优支持）

另外主持完成其它省部级及横向项目10余项。

发表的代表性论文：

1. 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.

2. 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.

3. 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.

4. 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.

5. Wenyou Zhu, Yongjun Liu*.Ring Contraction Catalyzed by the Metal-Dependent Radical SAM Enzyme: 7‑Carboxy-7-deazaguanine Synthase from B. multivorans. Theoretical Insightsinto the Reaction Mechanism and the Influence of Metal Ions. ACS Catalysis. 2015, 5, 3953-3965.

6. 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.

7. 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.

8. 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.

9. Jie Bai, Qianqian Hou, Wenyou Zhu, and Yongjun Liu*. Mechanical insights into the oxidative cleavage of resveratrol catalyzed by dioxygenase NOV1: confirmation of dioxygenase mechanism by QM/MM calculations. Catal. Sci. Technol.,2019, 9,444.

10. 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.

11. 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.

12. 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.

13. 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

14. 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.

15. 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.

16. Hao Su, Xiang Sheng and Yongjun Liu*.I nsights into the catalytic mechanism of

N-acetylglucosaminidase glycoside hydrolase from Bacillus subtilis: a QM/MM study. Org. Biomol. Chem. 2016, 14, 3432.

17. 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.

18. 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.

19. Xiang Sheng, and Yongjun Liu*.A QM/MM study of the catalytic mechanism of nicotinamidase. Org. Biomol. Chem. 2014, 12, 1265.

20. Xiang Sheng, and Yongjun Liu*. QM/MM Study of the Reaction Mechanism of the Carboxyl Transferase Domain of Pyruvate Carboxylase from Staphylococcus aureus. Biochemistry, 2014, 53, 4455-4466.