| Project/Area Number |
16K08214
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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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| Research Field |
Physical pharmacy
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| Research Institution | Tokushima Bunri University |
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Principal Investigator |
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| Project Period (FY) |
2016-04-01 – 2019-03-31
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| Project Status |
Completed (Fiscal Year 2018)
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| Budget Amount *help |
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2018: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2017: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2016: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
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| Keywords | X線解析 / 質量分析 / 共結晶 / レーザー脱離イオン化 / MALDI / 分子構造解析 / 微量分析 / 結晶スポンジ / 環状炭化水素 / 大環状化合物 / 単結晶Ｘ線構造解析 / 直鎖状共役ene化合物 / 構造解析 |
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| Outline of Final Research Achievements |
In this study, low-molecular-weight organic compounds were incorporated into the pores of crystalline sponges, which are porous complexes with crystallinity, and laser desorption ionization was attempted. From the results of single crystal X-ray structural analysis, the three-dimensional structure of the analyte, the interaction between the analyte and the framework, and the amount of guest in the single crystal could be determined. It is not just a mere combination of two analysis methods from single crystal, X-ray structure analysis and mass analysis method, but it is shown that it is an ultra-sensitive micro analysis method that enables molecular structure analysis from mutual analysis information. When analysis is difficult due to disorder in single crystal X-ray structural analysis of a guest inclusion crystal, structural information can be supplemented from mass spectrometry. At the same time, the possibility of structural analysis of unknown compounds was shown.
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| Academic Significance and Societal Importance of the Research Achievements |
CS-LDI-MS法は単一結晶へ単結晶X線構造解析と質量分析という異なる二種類の分析法を同時に適用できることがわかった．これは単結晶X線構造解析のみからは得られない情報であり，未知化合物の解析に役立つ．さらに，フラグメンテーションの分子構造情報は，X線構造解析において分子パーツをモデルとして当てはめることができるものと考えられる．本手法は，このような未知分子の単一結晶の構造解析法として，天然抽出物や微小量試料の解析へ適用できることが期待される．
本研究は分析化学領域における新手法を提供するもで今後広範囲な展開が期待される。さらにイオン化機構解明への道筋を示し、質量分析学への貢献も予想される。
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