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Elucidation of crystal colour change mechanism by crystalline state phase transition and proton transfer

Research Project

Project/Area Number 25410005
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical chemistry
Research InstitutionTokyo Institute of Technology

Principal Investigator

UEKUSA Hidehiro  東京工業大学, 理工学研究科, 准教授 (60242260)

Project Period (FY) 2013-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2015: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2014: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Fiscal Year 2013: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Keywords有機結晶 / X線結晶構造解析 / ベイポクロミズム / 粉末結晶解析 / 単結晶構造解析 / 脱水転移 / 水和転移 / 結晶構造解析 / キノロン系抗生物質 / プロトン転移 / 粉末未知結晶解析 / 結晶構造 / クロミズム / 相転移
Outline of Final Research Achievements

A wide range of screening of vapochromic organic crystals, a series of quinolone and new-quinolone antibiotic drugs were found to show vapochromic feature. Pipemidic acid trihydrate crystal showed dehydration phase transition by acetonitrile vapor, and back to be hydrate by humidity application. During this transition, the crystal color turned from colorless to yellow as the result of vapochromism. The crystal structure of the pipemidic acid anhydrous phase was determined at the first time by utilizing the Structure Determination from Powder diffraction Data technique which was recently developed. From the comparison of the crystal structures between before and after dehydration, molecular position rearrangement in the crystal induced an intra-molecular proton-transfer which affected the energy level of the molecular orbitals.

Report

(4 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Research-status Report
  • 2013 Research-status Report
  • Research Products

    (21 results)

All 2016 2015 2014 2013 Other

All Journal Article (9 results) (of which Peer Reviewed: 9 results,  Open Access: 1 results,  Acknowledgement Compliant: 2 results) Presentation (9 results) (of which Int'l Joint Research: 2 results,  Invited: 3 results) Remarks (3 results)

  • [Journal Article] Interconvertible Multiple Photoluminescence Color of a Gold(I) Isocyanide Complex in the Solid State: Solvent-Induced Blue-Shifted and Mechano-Responsive Red-Shifted Photoluminescence2015

    • Author(s)
      Seki, T.; Ozaki, T.; Ohkura, T.; Asakura, K.; Sakon, A.; Uekusa, H.; Ito, H.
    • Journal Title

      Chem. Sci.

      Volume: 6 Issue: 4 Pages: 2187-2195

    • DOI

      10.1039/c4sc03960b

    • NAID

      120005602514

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Open Access / Acknowledgement Compliant
  • [Journal Article] Structure determination from powder X-ray diffraction data of black azo (hydrazone) pigments2015

    • Author(s)
      J. Otani, M. Matsumura, K. Fujii, H. Uekusa
    • Journal Title

      Chem. Lett.

      Volume: 44 Issue: 5 Pages: 662-664

    • DOI

      10.1246/cl.150036

    • NAID

      130005067972

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Transient Protection of Strained Alkynes from Click Reaction via Complexation with Copper2014

    • Author(s)
      Suguru Yoshida, Yasutomo Hatakeyama, Kohei Johmoto, Hidehiro Uekusa, Takamitsu Hosoya
    • Journal Title

      Journal of the American Chemical Society

      Volume: 136 Issue: 39 Pages: 13590-13593

    • DOI

      10.1021/ja507660x

    • Related Report
      2014 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Water inclusion as a trigger for modulation of anthracene arrangement and fluorescence emission of organic salt2014

    • Author(s)
      Sugino Misa, Hatanaka Keisuke, Miyano Tetsuya, Hisaki Ichiro, Miyata Mikiji, Sakon Aya, Uekusa Hidehiro, Tohnai Norimitsu
    • Journal Title

      Tetrahedron Lett.

      Volume: 55 Issue: 3 Pages: 732-736

    • DOI

      10.1016/j.tetlet.2013.12.005

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [Journal Article] Absolute Asymmetric Photocyclization of Triisopropylbenzophenone Derivatives in Crystals and Their Morphological Changes2014

    • Author(s)
      Hideko Koshima, Michitaro Fukano, Naoko Ojima, Kohei Johmoto, Hidehiro Uekusa, M. Shiro
    • Journal Title

      The Journal of Organic Chemistry

      Volume: 79 Issue: 7 Pages: 3088-3093

    • DOI

      10.1021/jo5000913

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Solid-State Hydration/Dehydration of Erythromycin A Investigated by ab Initio Powder X-ray Diffraction Analysis: Stoichiometric and Nonstoichiometric Dehydrated Hydrate2013

    • Author(s)
      K. Fujii, M. Aoki, H. Uekusa
    • Journal Title

      Cryst. Growth Des.

      Volume: 13 Issue: 5 Pages: 2060-2066

    • DOI

      10.1021/cg400121u

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Structural understanding of solid-state photodimerization reactions of cinnamic amide2013

    • Author(s)
      Satoshi Kodama, Kohei Johmoto, Akiko Sekine, Hidehiro Uekusa
    • Journal Title

      CrystEngComm

      Volume: 15 Issue: 23 Pages: 4667-4675

    • DOI

      10.1039/c3ce40130h

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Polymorphic and pseudomorphic transformation behavior of acyclovir based on thermodynamics and crystallography.2013

    • Author(s)
      K. Terada, H. Kurobe, M. Ito, Y. Yoshihashi, E. Yonemochi, K. Fujii, H. Uekusa
    • Journal Title

      J. Therm. Anal. Calorim.

      Volume: 113 Issue: 3 Pages: 1261-1267

    • DOI

      10.1007/s10973-013-3140-1

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] 分子の動きを視る化学結晶学2013

    • Author(s)
      植草秀裕
    • Journal Title

      化学と工業

      Volume: 67 Pages: 15-17

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] キノロン系抗菌剤を用いた3種類の ベイポクロミック結晶のメカニズム解明2016

    • Author(s)
      佐近 彩・関根 あき子・植草 秀裕
    • Organizer
      日本化学会 第96春季年会
    • Place of Presentation
      同志社大学 京田辺キャンパス
    • Year and Date
      2016-03-24
    • Related Report
      2015 Annual Research Report
  • [Presentation] Crystal Engineering in Pharmaceutical Solids2016

    • Author(s)
      Hidehiro Uekusa
    • Organizer
      International Conference of Pharmacy and Health Science 2016
    • Place of Presentation
      Ipoh, Maleysia
    • Year and Date
      2016-03-18
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Design of triple vapochromic organic crystals of quinolone antibiotics2015

    • Author(s)
      Aya Sakon, Akiko Sekine, Hidehiro Uekusa
    • Organizer
      Pacifichem 2015
    • Place of Presentation
      Hawaii, USA
    • Year and Date
      2015-12-15
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Macrocyclic Boronic Ester: Porous and Host-Guest Structures Revealed by SDPD2014

    • Author(s)
      H. Uekusa, K. Fujii, K. Johmoto, Y. Kikuchi, H. Takahagi, K. Ono, N. Iwasawa
    • Organizer
      23RD CONGRESS AND GENERAL ASSEMBLY OF THE INTERNATIONAL UNION OF CRYSTALLOGRAPHY
    • Place of Presentation
      モントリオール国際会議場(カナダ)
    • Year and Date
      2014-08-08
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] Hydration / Dehydration Phase Transition Mechanism of Pharmaceutical Crystals Revealed by Ab Initio Structure Determination from Powder Diffraction Data2014

    • Author(s)
      Hidehiro Uekusa, Kotaro Fujii
    • Organizer
      11th International Workshop on Crystal Growth of Organic Materials
    • Place of Presentation
      奈良県新公会堂(奈良)
    • Year and Date
      2014-06-20
    • Related Report
      2014 Research-status Report
    • Invited
  • [Presentation] ベイポクロミズムを示す有機結晶の 結晶溶媒交換転移挙動の解明2014

    • Author(s)
      佐近彩・関根あき子・植草秀裕
    • Organizer
      日本化学会第94春季年会
    • Place of Presentation
      名古屋大学
    • Related Report
      2013 Research-status Report
  • [Presentation] Hydration / Dehydration Transformation Mechanism of Pharmaceutical Crystals Revealed by Ab Initio Structure Determination from Powder Diffraction Data2013

    • Author(s)
      Hidehiro Uekusa, Kotaro Fujii
    • Organizer
      the 21st International Conference on the Chemistry of the Organic Solid State
    • Place of Presentation
      Oxford, UK
    • Related Report
      2013 Research-status Report
  • [Presentation] Denydration / hydration Process of Quinolone Antibacterial Agent Crystals Investigated by Ab Initio Structure Determination from Powder Diffraction Data2013

    • Author(s)
      Aya Sakon, Akiko Sekine, Hidehiro Uekusa
    • Organizer
      the 21st International Conference on the Chemistry of the Organic Solid State
    • Place of Presentation
      Oxford, UK
    • Related Report
      2013 Research-status Report
  • [Presentation] セフィム系抗生物質結晶の脱水・水和転移現象の解明2013

    • Author(s)
      豊島良祐・関根あき子・植草秀裕
    • Organizer
      平成25年日本結晶学会
    • Place of Presentation
      熊本大学
    • Related Report
      2013 Research-status Report
  • [Remarks] 植草研究室ホームページ

    • URL

      http://www.cms.titech.ac.jp/~uekusa/

    • Related Report
      2015 Annual Research Report
  • [Remarks] 植草研究室

    • URL

      http://www.cms.titech.ac.jp/~uekusa/page.php?p=presentation

    • Related Report
      2014 Research-status Report
  • [Remarks] 植草研究室ホームページ

    • URL

      http://www.cms.titech.ac.jp/~uekusa/

    • Related Report
      2013 Research-status Report

URL: 

Published: 2014-07-25   Modified: 2019-07-29  

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