学院简介     深圳大学高等研究院是深圳大学新成立的一个包含本科与研究生培养、侧重交叉学科教学和研究的校内新型教育机构。高等研究院是深圳大学内部一个探索全面改革创新、实行特殊管理体制的、开展交叉学科创新人才培养和科学研究的学术特区,实行教授治院。高等研究院将与香港和海外著名高校合作,借鉴国际一流研究型大学通行的管理与运行机制,引进具有一流视野的资深······
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高等研究院系列学术讲座之七十一

作者:admin | 发布时间:2017-09-19 | 浏览次数:2907
下一篇文章:高等研究院系列学术讲座之七十二

Understanding Chemocatalysis and Biocatalysis by Mass Spectrometry and Computational Chemistry

Dr. Guijuan Cheng

Max-Planck-Institute für Kohlenforschung


About the Speaker

Dr. Guijuan Cheng obtained her Bachelor degree from Huazhong University of Science and Technology in 2010, she then went to Peking University, where she got her PhD degree in 2015. She currently works at Max-Planck-Institute für Kohlenforschung as a post-doctor. Her research mainly focuses on mechanistic study of chemical reactions by using combined MS and computational method and QM/MM studies on enzymatic reactions.


Talk Information

Computational chemistry provides important tool for understanding the structures and properties of compounds and for elucidating mechanisms of chemocatalysis and biocatalysis. Mass spectrometry (MS) is especially useful in capturing transient reactive intermediates of reactions which offers useful information for mechanistic studies. Combined MS/DFT studies on Palladium-catalyzed meta-C-H activation and enantioselective C-H activation reactions will be presented in this lecture. The role of ligand, the C-H activation mechanism as well as the origin of meta selectivity and enantioselectivity will be discussed. In the second part, computational studies on boron-catalyzed deoxygenation and rearrangement reactions of terminal and internal diols will be introduced. The last part of this talk will show a theoretical study on Candida antarctic lipase B-catalyzed hydrolysis reactions using docking, molecular dynamics and QM/MM methods.

时间:2017年9月21号上午9:30-10:30

地点:办公楼628会议室(原620-12会议室)

All are welcome!