First-Principles Analysis of Reaction Fields in Nano-Bio Materials

2017 Fiscal Year Final Research Report

• Project/Area Number: 15K21459
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Mathematical physics/Fundamental condensed matter physics; Functional biochemistry
• Research Institution: Kanagawa Institute of Technology
• Principal Investigator: Katsumasa Kamiya 神奈川工科大学, 基礎・教養教育センター, 准教授 (60436243)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Keywords: タンパク質の反応場 / ナノ物質の反応場

Outline of Final Research Achievements

Reaction filed, or active site, of enzyme has specific properties for its catalyzed reaction. To utilize the enzyme reaction field, the elucidation of reaction mechanisms is inevitable. In this work, we analyzed reactions both in bio-materials and nano-materials by using first-principles calculations. We found that catalytic reaction in enzymes could be driven by interactions between physiological structure and electron motions. We also found that function in nanomaterials could be controlled by charge injection and thermal fluctuation.

Free Research Field

計算物性物理学、生物物理学