A Computational study on the correlation between out-of-plane mode of heme and redox potential
| Project/Area Number |
26810012
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Multi-year Fund |
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| Research Field |
Physical chemistry
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| Research Institution | University of Tsukuba (2015-2016)
The Institute of Physical and Chemical Research (2014) |
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Principal Investigator |
MATSUI Toru 筑波大学, 数理物質系, 准教授 (70716076)
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| Project Period (FY) |
2014-04-01 – 2017-03-31
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| Project Status |
Completed (Fiscal Year 2016)
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| Budget Amount *help |
¥3,770,000 (Direct Cost: ¥2,900,000、Indirect Cost: ¥870,000)
Fiscal Year 2016: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | 酸化還元電位 / 密度汎関数理論 / ヘム / 溶媒和モデル / 面外振動 / 金属錯体 / 標準水素電極ポテンシャル |
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| Outline of Final Research Achievements |
I have computed the redox potential, an ability to transfer the electron, of a heme compound. A heme has a porphyrin ring which can control the redox potential of the heme by the molecular vibration. In this study, I have confirmed the phenomenon with more accurate computational schemes that I had proposed. Moreover, I found that the surroundings (hydrophobic or hydrophilic) could control the redox potential. Such a change can occur in any living things.
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Report
(4 results)
Research Products
(14 results)
