Non-adiabatic reaction dynamics simulation of biomolecules responding to photons
| Project/Area Number |
20608003
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
光生命科学
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| Research Institution | Kyoto University |
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Principal Investigator |
ISHIDA Toshimasa Kyoto University, 福井謙ー記念研究センター, 准教授 (50212890)
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| Co-Investigator(Kenkyū-buntansha) |
NANBU Shinkoh 上智大学, 生命理工学部, 教授 (00249955)
CHENG Wilfred C. 京都大学, 福井謙ー記念研究センター, 研究員 (90467457)
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| Project Period (FY) |
2008 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2010: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2009: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2008: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
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| Keywords | 生体分子 / 原子・分子物理 / 光応答 / 反応動力学 / 非断熱遷移 |
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| Research Abstract |
We carried out reaction simulations on biomolecules responding to photons, especially retinal molecules in Rhodopsin, which is responsible for our vision. We investigated differences of retinal molecules in responses to photons: how much and how fast they react. The results that we obtained are in agreement with experiments. We found that 9-cis retinal is slower and less to react than 11-cis retinal, which exists in our eyes. This is due to the trajectory trapping in an energy barrier in the excited state produced by photons.
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Report
(4 results)
Research Products
(141 results)
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[Journal Article] Syntheses, crystal structures and DFT calculations of 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylid ene]-5-(4,5-diiodo-1,3-dithiol-2-ylidene)-1,3-dithiolan-4-thione and -one2010
Author(s)
K.Ueda, K.Suzuki, K.Suzuki, K.Yoza, T.Ishida
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Journal Title
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[Journal Article] Syntheses, crystal structures and DFT calculations of 2-[4,5-bis(ethylsulfanyl)-1,3-dithiol-2-ylidene]-5-(4,5-diiodo-1,3-dithiol-2-ylidene)-1,3-dithiolan-4-thione and -one2010
Author(s)
K.Ueda, K.Suzuki, K.Suzuki, K.Yoza, T.Ishida
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Journal Title
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Peer Reviewed
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[Journal Article] Fluorescence and chemiluminescence properties of indolylmaleimides : experimental and theoretical studies2010
Author(s)
Manabu Nakazono, Ai Jinguji, Shinkoh Nanbu, Ryoichi Kuwano, Zilong Zheng, Kenichiro Saita, Yuji Oshikawa, Yuta Mikuni, Tatsuhiro Murakami, Yi Zhao, Shigeki Sasaki, Kiyoshi Zaitsu
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Journal Title
Phys.Chem.Chem.Phys.
Volume: 12
Pages: 9783-9793
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Peer Reviewed
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[Presentation] Theoretical Study on Photoionization2010
Author(s)
Toshimasa Ishida
Organizer
Colloquium on Computational Chemistry, Mindanao State University-Iligan Institute of Technology
Place of Presentation
Iligan, Philippines(Invited)
Year and Date
2010-09-06
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[Presentation] 生体分子光異性化の非断熱遷移トラジェクトリの解析2009
Author(s)
石田俊正, Wilfredo C. Chung, 南部伸孝, 中村宏樹
Organizer
文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト次世代ナノ統合シミュレーションソフトウェアの研究開発 第3回公開シンポジウム
Place of Presentation
岡崎
Year and Date
2009-03-05
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