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2022 年度 実績報告書

3D spatial imaging of chirality using nuclear magnetic resonance (NMR)

研究課題

研究課題/領域番号 19K05229
研究機関国立研究開発法人物質・材料研究機構

研究代表者

Labuta Jan  国立研究開発法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, 主任研究員 (00720690)

研究期間 (年度) 2019-04-01 – 2023-03-31
キーワードPorphyrin / pH-responsivness / Chemical kinetics / Microporosity
研究実績の概要

In FY2022, we investigated interactions of various ligands (anions or small chiral molecules) with porphyrin-type host molecules. The binding of, for example, anions by highly-coloured porphyrin chromophore is of interest from the point-of-view of the development of optical sensors. We analyzed the spectroscopic and structural (by DFT) properties of the formed host-guest complexes between porphyrin and ligand molecules.
We have also studied in detail the nuclear magnetic resonance (NMR) spectral lineshapes of host-guest complexes of porphyrin with chiral organic acids. This improves the detection of chirality by 3D NMR imaging techniques. We also published a systematic approach to study the kinetics of reversible reactions (i.e. host-guest complexation) using NMR lineshape analyses. For this purpose, we have derived analytical solutions of multi-state chemical exchange lineshapes (these solutions were previously unreported).
We also found that a saddle-shaped metallo-porphyrinoid forms a persistently microporous crystalline material. The structure is prepared directly by a simple solution casting process. The material is formed by a unique accumulation of intermolecular interactions involving pi-pi stacking, coordinative interactions at the metallo-porphyrinoid unit, and hydrogen bonding. We used this material as a membrane cover in nanomechanical membrane-type surface-stress sensors (MSS) system for highly sensitive real-time monitoring of gaseous analytes. This system can be suitable for analyses of, for example, human breath for diagnostic purposes.

  • 研究成果

    (7件)

すべて 2023 2022

すべて 雑誌論文 (3件) (うち国際共著 3件、 査読あり 3件、 オープンアクセス 1件) 学会発表 (4件) (うち国際学会 4件、 招待講演 2件)

  • [雑誌論文] Persistent microporosity of a non-planar porphyrinoid based on multiple supramolecular interactions for nanomechanical sensor applications2023

    • 著者名/発表者名
      Chahal Mandeep K.、Maji Subrata、Liyanage Anuradha、Matsushita Yoshitaka、Tozman Pelin、Payne Daniel T.、Jevasuwan Wipakorn、Fukata Naoki、Karr Paul A.、Labuta Jan、Shrestha Lok Kumar、Ishihara Shinsuke、Ariga Katsuhiko、D’Souza Francis、Yoshikawa Genki、Yamauchi Yusuke、Hill Jonathan P.
    • 雑誌名

      Materials Chemistry Frontiers

      巻: 7 ページ: 325~332

    • DOI

      10.1039/d2qm01039a

    • 査読あり / 国際共著
  • [雑誌論文] Analyte Interactions with Oxoporphyrinogen Derivatives: Computational Aspects2022

    • 著者名/発表者名
      Hill Jonathan P.、Karr Paul A.、Zuniga Uy Roxanne A.、Subbaiyan Navaneetha K.、Futera Zdenek、Ariga Katsuhiko、Ishihara Shinsuke、Labuta Jan、D’Souza Francis
    • 雑誌名

      Current Organic Chemistry

      巻: 26 ページ: 580~595

    • DOI

      10.2174/1385272826666220208101325

    • 査読あり / 国際共著
  • [雑誌論文] NMR lineshape analysis using analytical solutions of multi-state chemical exchange with applications to kinetics of host-guest systems2022

    • 著者名/発表者名
      Brezina Vaclav、Hanykova Lenka、Velychkivska Nadiia、Hill Jonathan P.、Labuta Jan
    • 雑誌名

      Scientific Reports

      巻: 12 ページ: 1~15

    • DOI

      10.1038/s41598-022-20136-4

    • 査読あり / オープンアクセス / 国際共著
  • [学会発表] Phase-Separable and pH-Sensitive Star-Shaped Porphyrin-PNIPAM Conjugates2022

    • 著者名/発表者名
      Jan Labuta, Nadiia Velychkivska
    • 学会等名
      MANA International Symposium 2022
    • 国際学会
  • [学会発表] Physicochemical Analysis of Star-Shaped Porphyrin-PNIPAM4 Conjugates: Phase-Separation and pH-Dependent Phenomena2022

    • 著者名/発表者名
      Nadiia Velychkivska, Jan Labuta
    • 学会等名
      25th IUPAC Conference on Physical Organic Chemistry (ICPOC25)
    • 国際学会
  • [学会発表] Phase Separation and pH-dependent Behavior of Star-Shaped Porphyrin-PNIPAM4 Conjugates2022

    • 著者名/発表者名
      Jan Labuta, Nadiia Velychkivska
    • 学会等名
      84th Prague Meeting on Macromolecules: Frontiers of Polymers Colloids 2022
    • 国際学会 / 招待講演
  • [学会発表] Prochiral Solvating Agents (pro-CSA): NMR Detection of Enantiomeric Excess without Formation of Diastereomers2022

    • 著者名/発表者名
      Jan Labuta
    • 学会等名
      International Conference on Porphyrins and Phthalocyanines (ICPP-12)
    • 国際学会 / 招待講演

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公開日: 2023-12-25  

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