【2025-10-27】 Computational Molecular Refinement to Enhance/Change Stereoselectivity by Reinforcing Molecular Interactions
发布时间:2025年10月24日

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报告人:Masahiro Terada

报告人单位:Tohoku University

报告时间:2025.10.27 10:00~11:30

报告地点:6号楼2楼宣讲厅

邀请人:杨国强 副教授


告摘要

In the development of catalytic enantioselective reactions, computational studies have aided in the design of catalysts and the modification of reaction systems in recent years. Computational analyses have revealed that the distortion of the chiral catalyst and the substrates and their interactions are key to determining the stability of the transition state (TS). Hence, two strategies – “distortion strategy” and “interaction strategy” – can be proposed for improving enantioselectivity. The “distortion strategy” is commonly used as a conventional approach; the repulsive steric effect is the primary factor that destabilizes the TS of the minor reaction pathway. On the other hand, the “interaction strategy” focuses on the stabilization of the TS of the major reaction pathway by reinforcing molecular interaction, such as hydrogen bonding and π-stacking, and an enhancement of the reaction rate is expected. Despite these advantages, the “interaction strategy” has rarely been attempted. In this presentation, to realize this strategy, we adopted Brønsted acid-catalyzed stereoselective reactions including chiral phosphoric acid catalysts.

报告人简介

Masahiro Terada was born in Tokyo in 1964. Masahiro Terada graduated from Department of Applied Chemistry, Tokyo Institute of Technology in 1986 and completed his Ph.D. in 1993 (Profs. Takeshi Nakai & Koichi Mikami). During his Ph.D. study, he was appointed as an assistant professor at the same institute (1989-2001). He worked as a postdoctoral fellow at Harvard University (Prof. Matthew D. Shair group) in 1999-2000. Shortly after he started his independent career at Tohoku University as an assistant professor in 2001 and was promoted to full professor in 2006. He was appointed to the Dean of School of Science (2017-2023). He is the recipient of: The Incentive Award in Synthetic Organic Chemistry, Japan (2003), The Chemical Society of Japan Award for Creative Work (2008), Mukaiyama Award (2010), The Nagoya Silver Medal (2012), Molecular Chirality Award 2015 (2015), and Synthetic Organic Chemistry Award, Japan (2017), Science and Technology, Research Category, the Commendation for Science and Technology by the MEXT Japan (2024). His current research interests are the development of new and useful synthetic methodologies based on the design of novel chiral Brønsted acid and base catalysts as well as the utilization of transition metal catalysts.