| Project/Area Number |
21K09963
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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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| Review Section |
Basic Section 57040:Regenerative dentistry and dental engineering-related
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| Research Institution | Waseda University |
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Principal Investigator |
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| Co-Investigator(Kenkyū-buntansha) |
ハラ エミリオ・サトシ 岡山大学, 医歯薬学域, 研究准教授 (40779443)
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| Project Period (FY) |
2021-04-01 – 2024-03-31
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| Project Status |
Completed (Fiscal Year 2023)
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| Budget Amount *help |
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2023: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2022: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2021: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
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| Keywords | mineralization / quantum chemistry / reaction dynamics / reaction mechanisms / mineralization process / mineralization mechanism / phospholipids / activation energies / reaction mechanism / リン脂質 / 石灰化 / 骨再生 / in vitro実験 / 量子化学計算 |
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| Outline of Research at the Start |
In this research, first the mechanism of mineralization of known (naturally occurring) phospholipids will be investigated in detail through experiments and computational chemistry methods. The origin of differences in mineralization ability of different phospholipids will be identified, and the mineralization mechanism elucidated. Then, novel molecules that can mineralize faster than the phospholipids investigated experimentally will be designed and synthesized. Finally, the mineralization ability of the designed novel molecules will be verified in vitro and in vivo.
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| Outline of Final Research Achievements |
To elucidate the mechanism of mineralization of phospholipids, we first assumed that the hydrolysis reactions are the first step in the mechanism, releasing the phosphate group from the molecule to the aqueous solution and facilitating the formation of hydroxyapatite, for example. The dynamics of relevant elementary reactions was analyzed via quantum chemical calculations. Phospholipids having 6 carbons in the hydrophobic tail, and choline (PC6) or serine (PS6) as the hydrophilic head were chosen as the reactants. We started analyzing reactions of single molecures and then complexes composed of two phospholipids surrounding a Ca ion (2PC6Ca or 2PS6Ca). The steps involved in the hydrolysis reactions were identified, and the energies of reactants, transition states and products were determined. From the values of activation energy and heat release, the sequences through which the steps proceed were determined, and differences between the hydrolysis of 2PC6Ca and 2PS6Ca were found.
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| Academic Significance and Societal Importance of the Research Achievements |
Recovery from bone fracture is slow and is a growing global social problem as the percentage of elderly people increases. Accelerating bone fracture repair would reduce treatment costs. The final aim of our research is to develop biomaterials that mineralize quickly and lead to fast bone formation.
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