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 |
Section | 一般 |
Research Field |
Physical chemistry
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Research Institution | Nagoya University |
Principal Investigator |
YOSHII Noriyuki 名古屋大学, 工学(系)研究科(研究院), 特任准教授 (70371599)
|
Co-Investigator(Renkei-kenkyūsha) |
OKAMURA Emiko 姫路獨協大学, 薬学部, 教授 (00160705)
|
Project Period (FY) |
2011 – 2013
|
Project Status |
Completed (Fiscal Year 2013)
|
Budget Amount *help |
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2013: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2012: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2011: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
|
Keywords | 溶液 / コロイド / 脂質ベシクル / 分子シミュレーション / ベシクル / 物理化学 / 側方拡散 / NMR / 拡散係数 / コンピュータシミュレーション / 制限拡散 / モデル化 / 生物物理 |
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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Report
(4 results)
Research Products
(59 results)
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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
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