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2016 Fiscal Year Final Research Report

Theoretical Studies on State Change of Enzymatic and Catalytic Species and Activity Control

Planned Research

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Project AreaStimuli-responsive Chemical Species for the Creation of Functional Molecules
Project/Area Number 24109014
Research Category

Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionKyushu University

Principal Investigator

Yoshizawa Kazunari  九州大学, 先導物質化学研究所, 教授 (30273486)

Co-Investigator(Renkei-kenkyūsha) SHIOTA Yoshihito  九州大学, 先導物質化学研究所, 准教授 (70335991)
Project Period (FY) 2012-06-28 – 2017-03-31
Keywords量子化学 / 生体関連化学 / 金属酵素 / 電子物性 / 酵素反応
Outline of Final Research Achievements

We have carried out enzymatic and model systems that involve transition metals at the active centers using theoretical calculations. On the basis of large-scale calculations, we considered environmental effects and perturbational effects at the active centers of enzymes. In this study we did collaborative studies with experimental groups about metalloenzymes and model complexes. We demonstrated a spin-state change and electron transfer in proteins are main factors that determine metal-based enzymatic reactions.

Free Research Field

化学

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Published: 2018-03-22  

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