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、侧重跨学科教学与研究的校内综合办学单位。作为深圳大学内部探索全面改革创新的学术特区,高等研究院与香港和海外著名高校合作,借鉴国外研究型大学通行的管理模式,引进具有一流视野的资深教授和发展潜力的青年教师,营造与国际接轨的学术氛围和培养环境,开展卓越的教学、研究和管理工作。 ······
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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:3598
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!