Wenzhen Lai

Associate Professor

Current Address: Department of Chemistry, Renmin University of China, Beijing, 100872, P. R. China

E-mail: wenzhenlai@ruc.edu.cn

Education Background

B. Sc.:  College of Chemistry, Sichuan University, P. R. China, 1998-2002

M. Sc.:  College of Chemistry, Sichuan University, P. R. China, 2002-2005, Advisor: Prof. Daiqian Xie

Ph. D.: School of Chemistry and Chemical Engineering, Nanjing University, P. R. China, 2005-2008, Advisor: Prof. Daiqian Xie

Academic Career

2007/9-2008/3: Department of Chemistry and Chemical Biology, University of New Mexico, U.S.A.; Visiting Scholar with Prof. Hua Guo

2008/8-2011/6: Institute of Chemistry, Hebrew University of Jerusalem, Israel, Postdoctoral Fellow with Prof. Sason Shaik

2011/9-present: Department of Chemistry, Renmin University of China; Associate Professor

Research Interests

My group’s research interests are in the area of theoretical chemistry. Our focus is mainly the following aspects:

• Protein-ligand interaction

• Reaction mechanisms of enzymes

• Biomimetic catalysis, especially energy-related catalysis

• Computational spectroscopy

Selected Publications

1. Jiang, X.-F.; Huang, H.;* Chai, Y.-F.; Lohr, T. L.; Yu. S.-Y.;* Lai, W. Z.*; Pan, Y.-J.;* Guo, G.-S.; Delferro, M.;* Marks, T. J.* Facile Hydrolytic Cleavage of Both CS₂ Carbon-Sulfur Bonds Mediated by Multinuclear Pd(II) Complexes at Room Temperature. Nature Chem. 2017, 9, 188-193.

2. Song, X. D.; Lu, J. R.; Lai, W. Z.* Mechanistic Insights into Dioxygen Activation, Oxygen Atom Exchange and Substrate Epoxidation by AsqJ Dioxygenase from Quantum Mechanical/Molecular Mechanical Calculations. Phys. Chem. Chem.Phys. 2017, 19, 20188-20197.

3. Wang, B. J.*; Lu, J. R.; Dubey, K. D.; Li, P. F.; Dong, G.; Lai, W. Z.*; Shaik, S.* How do Enzymes Utilize Reactive OH Radicals? Lessons from Non-Heme HppE and Fenton Systems. J. Am. Chem. Soc. 2016, 133, 8489-8496

4. Dong, G.; Lu, J. R.; Lai, W. Z.* Insights into the Mechanism of Aromatic Ring-Cleavage of Noncatecholic Compound 2-Aminophenol by Aminophenol Dioxygenase: A Quantum Mechanical/Molecular Mechanical Study. ACS Catal. 2016, 6, 3796-3803.

5. Han, Y. Z.; Fang, H. Y.; Jing, H. Z.; Sun, H. L.; Lei, H. T.; Lai, W. Z.*; Cao R.* Singly versus Doubly Reduced Nickel Porphyrins for Proton Reduction: Experimental and Theoretical Evidence for a Homolytic Hydrogen-Evolution Reaction. Angew. Chem., Int. Ed. 2016, 55, 5457-5462.

6. Dong, G.; Shaik, S.; Lai, W. Z.* Oxygen Activation by Homoprotocatechuate 2,3-Dioxygenase: A QM/MM Study Reveals the Key Intermediates in the Activation Cycle. Chem. Sci. 2013, 4, 3624-3635.

7. Lai, W. Z.*; Cao, R.*; Dong, G.; Shaik, S.; Yao, J. N.; Chen, H.* Why Is Cobalt the Best Transition Metal in Transition Metal Hangman Corroles for O-O Bond Formation During Water Oxidation? J. Phys. Chem. Lett. 2012, 3, 2315-2319.

8. Lai, W. Z.; Li, C. S.; Chen, H.; Shaik, S.* Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way. Angew. Chem., Int. Ed. 2012, 51, 5556-5578.

9. Lai, W. Z.; Shaik, S.* Can Ferric-Superoxide Act as a Potential Oxidant in P450_cam? QM/MM Investigation of Hydroxylation, Epoxidation, and Sulfoxidation. J. Am. Chem. Soc. 2011, 133, 5444-5452.

10. Lai, W. Z.; Chen, H; Matsui, T.; Omori, K.; Unno, M. Ikeda-Saito, M.*; Shaik, S.* Enzymatic Ring Opening Mechanism of Verdoheme by Heme Oxygenase: A Combined X-ray Crystallography and QM/MM Study. J. Am. Chem. Soc. 2010, 132, 12960-12970.