Deepening transition state concept and control of reaction kinetics from a few body systems to complex reaction networks
| Project/Area Number |
15KT0055
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Multi-year Fund |
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| Section | 特設分野 |
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| Research Field |
Transition State Control
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| Research Institution | Hokkaido University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
寺本 央 北海道大学, 電子科学研究所, 助教 (90463728)
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| Project Period (FY) |
2015-07-10 – 2018-03-31
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| Project Status |
Completed (Fiscal Year 2017)
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| Budget Amount *help |
¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000)
Fiscal Year 2017: ¥6,370,000 (Direct Cost: ¥4,900,000、Indirect Cost: ¥1,470,000)
Fiscal Year 2016: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
Fiscal Year 2015: ¥5,850,000 (Direct Cost: ¥4,500,000、Indirect Cost: ¥1,350,000)
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| Keywords | 遷移状態 / 相空間幾何学 / 反応ネットワーク / データ駆動型数理科学 / バイオイメージング / 1分子計測(SMD) / 応用特異点論 / バンド交差 / 非断熱交差 / 特異点論 / 1分子イメージング / 化学反応動力学 / 力学系理論 / ネットワーク理論 / 情報科学 / 異性化反応 / 電子解離反応 |
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| Outline of Final Research Achievements |
We uncovered a novel phenomenon which switches a path of reactions from a coordinate that used to describe the progress of reactions to another one that used not to do along with the total energy of the system increases by using the concept of Chaos theory called breakdown of normally hyperbolic invariant manifold. Due to this progress, we also successfully proposed how to verify this new phenomenon experimentally by taking dissociation reaction of an electron from a hydrogen-atom as an example which was under crossed homogeneous electric and magnetic fields. In addition, we newly proposed a global transition state over many underlying basins/states that governs the complex kinetics over reaction networks. This is defined as the slowest dividing surface over the network among all possible dividing surfaces and can extract complex hierarchical structure of reaction timescales.
We proposed a new guideline for reaction controls applicable for both theoretically and experimentally.
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Report
(4 results)
Research Products
(74 results)
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[Journal Article] 実験医学2017
Author(s)
冨樫祐一, 新海創也, 小松崎民樹
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Journal Title
特集：少数性生物学ってなんだ？: 「少数と個性―分子の数と生命らしさ」
Volume: 35(19)
Pages: 1-1
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[Presentation] マルコフ連鎖の時間階層的クラスタリング2015
Author(s)
永幡 裕, 前田 理, 寺本 央, Chun-Biu Li, 武次 徹也, 小松崎 民樹
Organizer
ERATO湊離散構造処理系プロジェクト 「2015年度 秋のワークショップ」
Place of Presentation
丸駒温泉(北海道千歳市)
Year and Date
2015-11-08
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[Presentation] 複雑反応ネットワークに埋め込まれた時間階層構造の解読2015
Author(s)
Yutaka Nagahata, Satoshi Maeda, Hiroshi Teramoto, Chun-Biu Li, Takashi Horiyama, Tetsuya Taketsugu, Tamiki Komatsuzaki
Organizer
第53回日本生物物理学会
Place of Presentation
金沢大学角間キャンパス自然科学本館(石川県金沢市)
Year and Date
2015-09-13
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