2013 Fiscal Year Final Research Report
Restricted diffusion of lipid molecules on the vesicle surface studied by NMR measurement and Monte Carlo calculation
| Project/Area Number |
23550027
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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 |
Physical chemistry
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| Research Institution | Nagoya University |
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Principal Investigator |
YOSHII Noriyuki 名古屋大学, 工学(系)研究科(研究院), 特任准教授 (70371599)
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| Co-Investigator(Renkei-kenkyūsha) |
OKAMURA Emiko 姫路獨協大学, 薬学部, 教授 (00160705)
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| Project Period (FY) |
2011 – 2013
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| Keywords | 溶液 / コロイド / 脂質ベシクル |
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| Research Abstract |
The restricted diffusional motion of the lipid molecule on the vesicle surface was studied by NMR measurement and Monte Carlo calculation. The diffusion coefficient of the lipid molecule was observed by pulse field gradient(PFG) NMR measurement. The observed diffusion coefficient for the lipid molecule is sum of the translational and rotational diffusion coefficients of the vesicle as a whole and the lateral diffusion coefficient of the lipid molecule. We constructed a new analytical method to separate them into their contributions. In order to investigate the binding/dissociation motion of the drug molecules with the vesicle as well as the lateral diffusion motion on the vesicle surface in situ experiments using PFG and 1D NMR have been carried out. To reproduce the motion of the drug molecule moving in the vesicle and bulk water a new Monte Carlo calculation was extended to the drug molecule.
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[Presentation] Large-scale and All-atom Molecular Dynamics Simulation of Viruses using the K-computer 2. Development of a Highly Parallelized General-Purpose Molecular Dynamics Simulation Program, MODYLAS2013
Author(s)
Yoshimichi Andoh, Noriyuki Yoshii, Kazushi Fujimoto, Keisuke Mizutani, Hidekazu Kojima, Atsushi Yamada, Susumu Okazaki, Kazutomo Kawaguchi, Hidemi Nagao, Kensuke Iwahashi, Fumiyasu Mizutani, Kazuo Minami
Organizer
ICMS2013
Place of Presentation
神戸
Year and Date
20131118-20
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