2021 Fiscal Year Final Research Report
Structural separation analysis of co-crystallized organic molecules and utilization of crystal sponge laser desorption ionization mass spectrometry
| Project/Area Number |
19K05447
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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 33010:Structural organic chemistry and physical organic chemistry-related
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| Research Institution | Tokushima Bunri University |
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Principal Investigator |
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| Project Period (FY) |
2019-04-01 – 2022-03-31
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| Keywords | X線解析 / 質量分析 / 結晶スポンジ / 共結晶 / ホスト-ゲスト化学 |
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| Outline of Final Research Achievements |
We synthesized several stable cyclic adamantane crystal sponges and established a method for soaking guest molecules into the crystal sponge (host molecule). On the other hand, various experiments were conducted on the single-crystal to single-crystal guest inclusion method, and the optimum conditions were found. For single crystal X-ray structure analysis methods including disorder treatment, we investigated microcrystals using high-sensitivity X-ray detectors and high-power X-ray sources, and established related techniques and means.
In mass analysis, we established a laser desorption ionization method for guest inclusion crystal sponges. Furthermore, we have found an interaction evaluation method by DFT calculation of the interaction between the guest molecule in the crystal sponge and the frame structures.
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| Free Research Field |
構造化学
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| Academic Significance and Societal Importance of the Research Achievements |
本研究により，種々の有機化合物の構造決定および分離を実現することができた．特にX線結晶解析に適さない油状または液体分子の解析に成功した．これはホスト-ゲスト化学の新たな活用に繋がり、共結晶化の機構解明に一歩近づいた．さらに医薬品の共結晶体を構築することによりプロドラッグなど結晶製剤における溶解度や安定性の制御にも応用できる．今後，ホスト分子とゲスト分子の共結晶体の形成をとおして，生理活性物質のホストとの相互作用が分子レベル（原子分解能）で解析され，創薬研究をさらに活性化することができる．X線解析と質量分析の連携によって当該分野の研究に貢献することが期待できるため社会的意義は大きい．
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