• Search Research Projects
  • Search Researchers
  • How to Use
  1. Back to previous page

Laser-desorption ionization mass spectrometry of porous complex inclusion molecules towards elucidation of MALDI mechanism

Research Project

Project/Area Number 16K08214
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical pharmacy
Research InstitutionTokushima Bunri University

Principal Investigator

Kentaro Yamaguchi  徳島文理大学, 薬学部, 教授 (50159208)

Project Period (FY) 2016-04-01 – 2019-03-31
Project Status Completed (Fiscal Year 2018)
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)
KeywordsX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
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.

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。

Report

(4 results)
  • 2018 Annual Research Report   Final Research Report ( PDF )
  • 2017 Research-status Report
  • 2016 Research-status Report
  • Research Products

    (13 results)

All 2019 2018 2017 2016

All Journal Article (4 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 4 results) Presentation (9 results)

  • [Journal Article] Cycloalkanes and cycloalkanes in dispersive force oriented incusion crystals by functionalyzed acyclic host molecule2019

    • Author(s)
      T. Hyodo, M. Kawahata, Y. Hikami, A. Komatsu, M. Tominaga, K. Yamaguchi
    • Journal Title

      CrystEngComm

      Volume: 21 Pages: 1548-1554

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Crystalline sponge-laser desorption ionization (DS-LDI) of unsaturated cyclic organic compounds encapsulate in different electronic environment in pores2019

    • Author(s)
      Y. Hayashi, K. Ohara, R. Taki, T. Saeki, K. Yamaguchi
    • Journal Title

      Analytica Chemica Acta

      Volume: 1064 Pages: 80-86

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Combined analysis of 1,3-benzodioxoles by crystalline sponge X-ray crystallography and laser desorption ionization mass spectrometry2018

    • Author(s)
      Hayashi Yukako、Ohara Kazuaki、Taki Rika、Saeki Tomomi、Yamaguchi Kentaro
    • Journal Title

      The Analyst

      Volume: 143 Issue: 6 Pages: 1475-1481

    • DOI

      10.1039/c7an01906h

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] High-resolution X-ray structure of methyl salicylate, a time-honored oily medicinal drug, solved by crystalline sponge method2016

    • Author(s)
      *Kawahata, M.; Komagawa, S.; Ohara, K.; Fujita, M.; *Yamaguchi, K
    • Journal Title

      Tetrahedron Lett.

      Volume: 57 Issue: 41 Pages: 4633-4636

    • DOI

      10.1016/j.tetlet.2016.09.017

    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Presentation] ハロゲン化インドール類への結晶スポンジレーザー脱離イオン化法の適用2019

    • Author(s)
      伊東和平・林侑加子・小原一朗・山口健太郎
    • Organizer
      第67回質量分析総合討論会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 結晶スポンジレーザー脱離イオン化質量分析によるindole誘導体の複合解析2019

    • Author(s)
      萬藤優騎・林侑加子・小原一朗・山口健太郎
    • Organizer
      日本薬学会第139年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] V型非環状分子と脂環式化合物との共結晶化による包接挙動解析2019

    • Author(s)
      兵頭直・川幡正俊・小松愛・氷上優也・富永昌英・山口健太郎
    • Organizer
      日本薬学会第139年会
    • Related Report
      2018 Annual Research Report
  • [Presentation] 結晶スポンジレーザー脱離イオン化質量分析による1,3-benzodioxole 誘導体 の複合構造解析2018

    • Author(s)
      林侑加子,佐伯知美,瀧莉花,小原一朗,山口健太郎
    • Organizer
      日本薬学会第138年会
    • Related Report
      2017 Research-status Report
  • [Presentation] 低分子油状薬物の結晶スポンジ法による高分解能構造解析2017

    • Author(s)
      兵頭直,川幡正俊,藤田誠,山口健太郎
    • Organizer
      日本薬学会第137年会
    • Place of Presentation
      宮城県仙台
    • Year and Date
      2017-03-24
    • Related Report
      2016 Research-status Report
  • [Presentation] 結晶スポンジレーザー脱離イオン化質量分析によるPiribedil の複合構造解析2017

    • Author(s)
      林侑加子,小原一朗,山口健太郎
    • Organizer
      日本薬学会第137年会
    • Place of Presentation
      宮城県仙台
    • Year and Date
      2017-03-24
    • Related Report
      2016 Research-status Report
  • [Presentation] 結晶スポンジレーザー脱離イオン化質量分析によるpiperonyl acetone の複合構造解析2017

    • Author(s)
      佐伯知美,林侑加子,小原一朗,山口健太郎
    • Organizer
      日本薬学会第137年会
    • Related Report
      2017 Research-status Report 2016 Research-status Report
  • [Presentation] 結晶スンジ法を用 いるレーザー脱離イオン化法によるPiribedilの複合構造解析2017

    • Author(s)
      林侑加子,佐伯知美,瀧莉花,小原一朗,山口健太郎林侑加子・中井彩夏・小原一朗・山口健太郎
    • Organizer
      第65回質量分 析総合討論会
    • Related Report
      2017 Research-status Report
  • [Presentation] 結晶スポンジ レーザー脱離イオン化法による分子構造解析2017

    • Author(s)
      小原一朗,佐伯知美,瀧莉花,林侑加子,山口健太郎
    • Organizer
      第65回質量分析総合討論会
    • Related Report
      2017 Research-status Report

URL: 

Published: 2016-04-21   Modified: 2020-03-30  

Information User Guide FAQ News Terms of Use Attribution of KAKENHI

Powered by NII kakenhi