| Project/Area Number |
10304053
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| Research Category |
Grant-in-Aid for Scientific Research (A).
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Organic chemistry
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| Research Institution | Hiroshima University |
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Principal Investigator |
FUKAZAWA Yoshimasa Hiroshima Univ., Graduate School of Science, Professor, 大学院・理学研究科, 教授 (50004502)
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| Co-Investigator(Kenkyū-buntansha) |
IWAMOTO Hajime Hiroshima Univ., Graduate School of Science, Asistant, 大学院・理学研究科, 助手 (80304393)
HAINO Takeharu Hiroshima Univ., Graduate School of Science, Asist.Professor, 大学院・理学研究科, 助教授 (80253053)
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| Project Period (FY) |
1998 – 2000
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| Project Status |
Completed (Fiscal Year 2000)
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| Budget Amount *help |
¥37,400,000 (Direct Cost: ¥37,400,000)
Fiscal Year 2000: ¥4,300,000 (Direct Cost: ¥4,300,000)
Fiscal Year 1999: ¥9,400,000 (Direct Cost: ¥9,400,000)
Fiscal Year 1998: ¥23,700,000 (Direct Cost: ¥23,700,000)
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| Keywords | molecular recognition / host-guest chemistry / fullerene supramolecules / calixarenes / self-assembling host / molecular tweezers / chemical shift simulation / molecular dynamics / 酸化触媒モデル / ポルフィリン / カリックスアレン / C-Hπ相互作用 / 自己会合型ホスト / フラーレン / 超分子錯体 / 構造水 / カリックス[5]アレン / 電荷移動相互作用 / 分子サイズ識別 / 脱溶媒和 / 自己会合 / アロステリック特性 |
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| Research Abstract |
Molecular recognition based on the formation of host-guest complex is a fundamental chemical process. Enzymes, antibodies, receptors, and carriers all use the molecular recognition events. For the purpose of understanding and mimicking molecular recognition processes, host-guest chemistry playing a very important roll and simplified artificial receptors are useful to understand the nature of the binding on a molecular level. We have succeeded in synthesizing several artificial receptors for binding apolar organic guests such as fullerenes and several heterocycles. Calixarenes were employed as the cavity carrying unit. It was found that the calix[5]arene is a useful receptor for fullerene and connecting the two units of the receptor by covalent or non-covalent bonds resulted in the strong binding of the fullerenes. Both the uptake and release of the fullerene can be easily controlled with or without the protic acid in organic media using a self-assembling calixarene host having urea functionality. Several calixarene hosts having polar functionalities were also synthesized to examine the cooperative role of the hydrogen bonding and other non-directional forces (van del Waals and CH-π interactions and so on) for the effective binding of the polar guest such as cyclic ureas and diketopiperazines. The freedom of movement of the bound guests was analyzed by both the molecular dynamic simulation and nmr chemical shift simulation procedure. Molecular tweezers type hosts were also synthesized in order to study the effective binding the planar guests with charge transfer type interaction in organic media. Both donor-acceptor-donor and donor-acceptor-acceptor sandwich type layered arrangements were observed in the supramolecular complexes.
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