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molecular selective phonon spectroscopy at amorphous interface by inleastic neutron scattering

Research Project

Project/Area Number 18K18828
Research Category

Grant-in-Aid for Challenging Research (Exploratory)

Allocation TypeMulti-year Fund
Review Section Medium-sized Section 19:Fluid engineering, thermal engineering, and related fields
Research InstitutionJapan Atomic Energy Agency

Principal Investigator

Nakagawa Hiroshi  国立研究開発法人日本原子力研究開発機構, 原子力科学研究部門 原子力科学研究所 物質科学研究センター, 研究副主幹 (20379598)

Project Period (FY) 2018-06-29 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥6,370,000 (Direct Cost: ¥4,900,000、Indirect Cost: ¥1,470,000)
Fiscal Year 2019: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2018: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Keywordsフォノンスペクトロスコピー / 中性子非弾性散乱 / フォノン / ナノ熱計測 / アモルファス / 分子シミュレーション / 安定同位体ラベル / ボソンピーク
Outline of Final Research Achievements

We systematically investigated the hydration, temperature and pressure effects on the boson peaks observed in the inelastic neutron scattering spectra in the terahertz frequency range of proteins in the amorphous state, and found that the boson peaks are related to the cavities inside the protein molecules. Furthermore, our results suggested that boson peaks couple with phonon modes of hydrated water that collectively fluctuate at the protein surface. These results suggest that the nano-thermal properties of hydrated proteins in the amorphous state can be analyzed from the view point of the phonon by inelastic neutron scattering experiments and molecular dynamics simulations, indicating the importance of neutron-based analysis of nano-thermal properties.

Academic Significance and Societal Importance of the Research Achievements

従来のナノ熱物性研究では、結晶性の物質に比べアモルファスのフォノンの取り扱いは難しかった。本研究では、重水素化ラベル法や分子シミュレーションを活用した革新的な中性子ナノ物性計測法を開発し、これまでアプローチが難しかったアモルファス関連物質を、ナノ熱物性研究の具体的な研究対象とするための研究基盤を創出した。特に、これまでバルクの巨視的な熱物性で解析されることが多かった生体・食品系のアモルファス物質に着目して、ナノ熱物性が生体保護物質の保存作用にどのように関係しているかの手掛かりを得た。

Report

(3 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • Research Products

    (23 results)

All 2020 2019 2018

All Journal Article (10 results) (of which Peer Reviewed: 10 results,  Open Access: 2 results) Presentation (13 results) (of which Int'l Joint Research: 3 results,  Invited: 6 results)

  • [Journal Article] Rigidity of protein structure revealed by incoherent neutron scattering2020

    • Author(s)
      Nakagawa Hiroshi、Kataoka Mikio
    • Journal Title

      Biochimica et Biophysica Acta (BBA) - General Subjects

      Volume: 1864 Issue: 4 Pages: 129536-129536

    • DOI

      10.1016/j.bbagen.2020.129536

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Sequence-dependent hydration water dynamics of dodecameric DNA2020

    • Author(s)
      H. Nakagawa, Y. Yonetani, K. Nakajima, Seiko Ohira-Kawamura, T Kikuchi, Y. Inamura, M. Kataoka and H. Kono
    • Journal Title

      the Proceedings of the 3rd J-PARC Symposium (J-PARC2019)

      Volume: -

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Position dependency of the scattered intensity in the time-of-flight backscattering2020

    • Author(s)
      Masato Matsuura, Takeshi Yamada, Taiki Tominaga, Makoto Kobayashi, Hiroshi Nakagawa, and Yukinobu Kawakita
    • Journal Title

      the Proceedings of the 3rd J-PARC Symposium (J-PARC2019)

      Volume: -

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Quartz Cell for a Backscattering Spectrometer2020

    • Author(s)
      Taiki. Tominaga, Yukinobu. Kawakita, Hiroshi. Nakagawa, Takeshi. Yamada, and Kaoru. Shibata
    • Journal Title

      the Proceedings of the 3rd J-PARC Symposium (J-PARC2019)

      Volume: -

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Understanding water-mediated DNA damage production by molecular dynamics calculation of solvent accessibility2020

    • Author(s)
      Yoshiteru Yonetani and Hiroshi Nakagawa
    • Journal Title

      Chem. Phys. Lett

      Volume: 749 Pages: 137441-137441

    • DOI

      10.1016/j.cplett.2020.137441

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 中性子溶液散乱-現在・過去・未来2020

    • Author(s)
      杉山正明、井上倫太郎、中川洋、齊尾智英
    • Journal Title

      波紋

      Volume: 30 Pages: 16-25

    • NAID

      130008047185

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Universality and Structural Implications of the Boson Peak in Proteins2019

    • Author(s)
      Nakagawa Hiroshi、Joti Yasumasa、Kitao Akio、Yamamuro Osamu、Kataoka Mikio
    • Journal Title

      Biophysical Journal

      Volume: 117 Issue: 2 Pages: 229-238

    • DOI

      10.1016/j.bpj.2019.06.007

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Basis of Water Activity in Glycerol?Water Mixtures2019

    • Author(s)
      Nakagawa Hiroshi、Oyama Taiji
    • Journal Title

      Frontiers in Chemistry

      Volume: 7 Pages: 731-731

    • DOI

      10.3389/fchem.2019.00731

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] How can we derive hydration water dynamics with incoherent neutron scattering and molecular dynamics simulation?2019

    • Author(s)
      Nakagawa H, Kataoka M
    • Journal Title

      Biophysics and Physicobiology

      Volume: 16 Issue: 0 Pages: 213-219

    • DOI

      10.2142/biophysico.16.0_213

    • NAID

      130007752723

    • ISSN
      2189-4779
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 食品の水分活性~中性子散乱による食品のミクロ構造解析と干し芋サイエンス~2018

    • Author(s)
      中川洋
    • Journal Title

      明日の食品産業

      Volume: 7・8 Pages: 23-30

    • NAID

      40021627675

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Presentation] 中性子準弾性散乱で解析する食品中の水の物理化学2020

    • Author(s)
      中川洋
    • Organizer
      PF研究会「量子ビームを活用した食品科学」
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 中性子準弾性・非弾性散乱による生体物質の構造物性ダイナミクス研究2020

    • Author(s)
      中川洋
    • Organizer
      2019年度MLFシンポジウム
    • Related Report
      2019 Annual Research Report
  • [Presentation] 非干渉性中性子準弾性散乱による生体物質の相転移と分子運動性の解析2019

    • Author(s)
      中川洋
    • Organizer
      第2回LLPS研究会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Water activity and glass transition of food protein studied by inelastic neutron scattering and molecular dynamics2019

    • Author(s)
      H. Nakagawa
    • Organizer
      8th International Symposium on “Delivery of Functionality in Complex Food Systems(国際学会)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 干し芋の水和状態・ミクロ構造と保存性・食感の関係2019

    • Author(s)
      中川洋、渡辺万里
    • Organizer
      つくばソフトマター研究会2019
    • Related Report
      2019 Annual Research Report
  • [Presentation] タンパク質構造の硬さ・柔らかさと水和水ダイナミクス2019

    • Author(s)
      中川洋
    • Organizer
      ATI水和ナノ構造研究会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 中性子準弾性散乱による蛋白質の拡散運動と構造揺らぎの解析2019

    • Author(s)
      中川洋
    • Organizer
      蛋白質研究所セミナー
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] 蛋白質ダイナミクスに対する水和・圧力・温度効果2019

    • Author(s)
      中川洋
    • Organizer
      生物の環境適応と分子科学
    • Related Report
      2019 Annual Research Report
  • [Presentation] QENS of protein solutions measured by the TOF near Backscattering Spectrometer DNA2019

    • Author(s)
      H. Nakagawa, T. Saio, T. Oda, M. Sato, R. Inoue, M. Sugiyama, T. Tominaga and Y. Kawakita
    • Organizer
      第3回J-PARCシンポジウム
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 中性子非弾性散乱・準弾性散乱と分子シミュレーションによる蛋白質ダイナミクスの解析2019

    • Author(s)
      中川洋
    • Organizer
      CBI学会2019年大会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Protein dynamics and hydration by NIS2018

    • Author(s)
      Hiroshi Nakagawa
    • Organizer
      Dynamics of biomolecules and hydration water and neutron scattering
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 中性子分光法による生体物質ダイナミクス研究2018

    • Author(s)
      中川洋
    • Organizer
      QST高崎研オープンセミナー
    • Related Report
      2018 Research-status Report
    • Invited
  • [Presentation] でんぷんの構造物性研究と干し芋サイエンス2018

    • Author(s)
      中川洋
    • Organizer
      「生物の環境適応と分子科学」研究会
    • Related Report
      2018 Research-status Report

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Published: 2018-07-25   Modified: 2021-02-19  

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