Clarification of the mechanisms of organic nanotubes and nanovesicles by large-scale molecular simulation
| Project/Area Number |
15K05244
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Biological physics/Chemical physics/Soft matter physics
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| Research Institution | Kyoto Institute of Technology |
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Principal Investigator |
FUJIWARA SUSUMU 京都工芸繊維大学, 材料化学系, 教授 (30280598)
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| Co-Investigator(Kenkyū-buntansha) |
水口 朋子 京都工芸繊維大学, 材料化学系, 助教 (90758963)
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| Project Period (FY) |
2015-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2018: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2017: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2016: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2015: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
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| Keywords | 双頭型両親媒性分子 / 自己会合 / ナノベシクル / ナノチューブ / 分子シミュレーション / 散逸粒子動力学法 / 粗視化分子動力学法 |
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| Outline of Final Research Achievements |
In order to elucidate the self-assembly mechanism of bolaamphiphilic molecules, dissipative particle dynamics simulation and molecular dynamics simulation for the coarse-grained model are used in combination to investigate the self-assembled structures and their formation processes. By changing the strength of the interparticle interactions, it is found that various forms of self-assembled structures such as vesicles, tubes, and wormlike micelles are formed. In addition, it is also revealed that symmetric bolaamphiphilic molecules having the same hydrophilic group on both sides form a variety of self-assembled structures than asymmetric bolaamphiphilic molecules having different hydrophilic groups on both sides.
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| Academic Significance and Societal Importance of the Research Achievements |
本研究で得られた、非対称双頭型両親媒性分子に比べて対称双頭型両親媒性分子の方が多様な自己会合構造を形成するという成果は、分子の対称性が自己会合構造の多様性に影響を及ぼすことを示している。この知見は、系全体の自己組織化において微視的性質が重要な役割を果たすことを示唆するものであり、自己組織化研究における学術的意義は大きい。
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Report
(5 results)
Research Products
(103 results)
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[Journal Article] Study on Multi-Hierarchy Phenomena in Plasmas with Theory and Simulations2016
Author(s)
S. Usami, R. Horiuchi, S. Ishiguro, H. Nakamura, H. Miura, H. Ohtani, A. Takayama, A. Ito, A. M. Ito, H. Hasegawa, M. Den, H. Okumura, S. Fujiwara, T. Ogawa, K. Fujimoto, S. Saito, H. Usui and Y. Miyake
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Journal Title
Annual Report of National Institute for Fusion Science
Volume: April 2015 - March 2016
Pages: 380-380
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[Journal Article] Study on Multi-Hierarchy Phenomena in Plasmas with Theory and Simulations2015
Author(s)
S. Usami, R. Horiuchi, S. Ishiguro, H. Nakamura, H. Miura, H. Ohtani, A. Takayama, A. Ito, M. Nunami, H. Hasegawa, A. M. Ito, Y. Oda, M. Den, H. Okumura, S. Fujiwara, T. Ogawa, K. Fujimoto and S. Saito
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Journal Title
Annual Report of National Institute for Fusion Science
Volume: April 2014 - March 2015
Pages: 381-381
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[Presentation] トリチウムのヘリウム3への壊変によるDNA構造変化のMDシミュレーション2018
Author(s)
中村 浩章, 宮西 寿典, 藤原 進, 水口 朋子, 安永 卓生, 中田 彩子, 宮崎 剛, 大塚 教雄, 剣持 貴弘, 波多野 雄治, 斉藤 真司
Organizer
日本物理学会2018年秋季大会
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[Presentation] ヘリウム３への壊変による高分子材料およびDNAの構造変化2018
Author(s)
藤原 進, 中村 浩章, 宮西 寿典, 水口 朋子, 安永 卓生, 中田 彩子, 宮崎 剛, 大塚 教雄, 剣持 貴弘, 波多野 雄治, 斉藤 真司
Organizer
プラズマシミュレータシンポジウム2018
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[Presentation] トリチウムのヘリウム３への壊変によるポリエチレンの構造変 化に関する分子動力学シミュレーション2018
Author(s)
Li Haolun, 藤原 進, 水口 朋子, 橋本 雅人, 中村 浩章, 安永 卓生, 中田 彩子, 宮崎 剛, 大塚 教雄, 剣持 貴弘, 波多野 雄治, 斉藤 真司
Organizer
第67回高分子討論会
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[Presentation] Molecular dynamics simulation of DNA damage by tritium beta-decay2018
Author(s)
Hisanori Miyanishi, Hiroaki Nakamura, Takuo Yasunaga, Susumu Fujiwara, Tomoko Mizuguchi, Ayako Nakata, Tsuyoshi Miyazaki, Takao Otsuka, Takahiro Kenmotsu, Yuji Hatano and Shinji Saito
Organizer
The 27th International Toki Conference on Plasma and Fusion Research & The 13th Asia Pacific Plasma Theory Conference (ITC27 & APPTC2018)
Related Report
Int'l Joint Research
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[Presentation] 熱応答性高分子の水和構造に及ぼす立体規則性の効果2016
Author(s)
鎌田 康平, 藤原 進, 橋本 雅人, 水口 朋子, 青木 隆史, 玉井 良則
Organizer
2015年度高分子基礎物性研究会・高分子計算機科学研究会 合同討論会,
Place of Presentation
大阪大学中之島センター（大阪府大阪市）
Year and Date
2016-03-07
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[Presentation] Molecular Simulation for Soft and Hard Matters2016
Author(s)
Hiroaki Nakamura, Susumu Fujiwara, Atsushi M. Ito and Seiki Saito
Organizer
The 35th JSST Annual Conference International Conference on Simulation Technology (JSST2016)
Place of Presentation
京都大学国際科学イノベーション棟（京都府京都市）
Related Report
Int'l Joint Research / Invited
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