| Budget Amount *help |
¥72,020,000 (Direct Cost: ¥55,400,000、Indirect Cost: ¥16,620,000)
Fiscal Year 2017: ¥17,030,000 (Direct Cost: ¥13,100,000、Indirect Cost: ¥3,930,000)
Fiscal Year 2016: ¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2015: ¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2014: ¥17,160,000 (Direct Cost: ¥13,200,000、Indirect Cost: ¥3,960,000)
Fiscal Year 2013: ¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
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| Outline of Final Research Achievements |
Self-assembly is a process in which a certain number of molecules assemble to spontaneously form an ordered structure. In this project, we aimed to clarify the mechanism and dynamics of the process. As a result, (1) we have developed fundamental methods to understand self-assembly process in mind. (2) Nanocube is a self-assembling system, in which six gear-like amphiphilic molecules form an ordered cubic structure. We have studied the system using all-atom model and coarse-grained model to understand the assembling mechanism. (3) The time evolution was analyzed for the formation process of octahedron-shaped coordination capsule consisting of Pd (II) ions and eight panel-shaped ligands, by utilizing master equation. Detail of the formation process including the rate-determining step was investigated using quantum chemical effective Hamiltonian. Moreover, based on these, (4) The dynamics and molecular characteristics of various self-assembly processes were clarified.
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