Hydration Structure in Protein Crystals Studied by Simulation Analysis of Solid Nuclear Magnetic Resonance

• Project/Area Number: 19510103
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Nanostructural science
• Research Institution: Kanazawa University
• Principal Investigator: MIZUNO Motohiro Kanazawa University, 物質化学系, 教授 (70251915)
• Project Period (FY): 2007 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000); Fiscal Year 2008: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000); Fiscal Year 2007: ¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
• Keywords: 複合材料・物性 / 蛋白質 / 物性実験 / タンパク質

Research Abstract

固体重水素の核磁気共鳴(NMR)スペクトルのシミュレーション解析法を開発し、これらを用いて卵白リゾチーム結晶, アルブミン結晶, フェリチン結晶の水和水のダイナミクスの解析を行った。その結果, これらの結晶中には運動性の低い水分子と低温(200K付近)まで速い運動をしている水分子が存在することが確認された。200K以下では速い運動をしていた水分子の速度が急激に遅くなり, 水分子の構造(H-O-H角)に分布が生じることが明らかになった。

Research Products

• [Journal Article] Deuterium NMR Study of Molecular Dynamics and Phase Transition in Acetonitrile Crystal (2008)
  • Author(s): Y. Suzuki, M. Sato, K. Takanohashi, T. Ida, M. Mizuno*
  • Journal Title: J. Phys. Chem. A 112 Pages: 13481-13486
  • Peer Reviewed
• [Journal Article] Dynamics of [Zn(D_2O)_6]^<2+> in [Zn(D_2O)_6] [SiF_6] Crystal as Studied by 1D, 2D Spectra and Spin-Lattice Relaxation Time of ^2H NMR (2008)
  • Author(s): T. Araya, A. Niwa, M. Mizuno*, K. Endo
  • Journal Title: Chem. Phys 344 Pages: 291-298
  • Peer Reviewed
• [Journal Article] Conformation and Molecular Dynamics of Single Polystyrene Chain Confined in Coordination Nanospace (2008)
  • Author(s): T. Uemura, S. Horike, K. Kitagawa, M. Mizuno, K. Endo, S. Bracco, A. Comotti, M. Nagaoka, S. Kitagawa
  • Journal Title: J. Am. Chem. Soc 130 Pages: 6781-6788
  • Peer Reviewed
• [Journal Article] Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State : Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand (2008)
  • Author(s): H. Nakai, T. Nonaka, Y. Miyano, M. Mizuno, Y. Ozawa, K. Toriumi, N. Koga, T. Nishioka, M. Irie, K. Isobe
  • Journal Title: J. Am. Chem. Soc 130 Pages: 17836-17845
  • Peer Reviewed
• [Journal Article] Substitution Effects of Cp Ring Benzyl Groups on Photoisomerization of a Rhodium Dithionite Complex in the Crystalline State (2008)
  • Author(s): Y. Miyano, H. Nakai, M. Mizuno, K. Isobe
  • Journal Title: Chem. Lett 37 Pages: 826-827
  • NAID: 10024281275
  • Peer Reviewed
• [Journal Article] Deuterium NMR Study of Molecular Dynamics and Phase Transition in Acetonitrile Crystal (2008)
  • Author(s): Y. Suzuki, M. Sato, K. Takanohashi, T. Ida, M. Mizuno
  • Journal Title: J. Phys. Chem. A 112 Pages: 13481-13486
  • Peer Reviewed
• [Journal Article] Conformation and Molecular Dynamics of Single Polystyrene Chain Confined in Coordination Nanospace (2008)
  • Author(s): T. Uemura, S. Horike, K. Kitagawa, M. Mizuno, K. Endo, S. Bracco, A. Comotti, M. Nagaoka, S. Kitagawa
  • Journal Title: J. Am. Chem. Soc. 130 Pages: 6781-6788
  • Peer Reviewed
• [Journal Article] Photochromism of an Organorhodium Dithionite Complex in the Crystalline-State : Molecular Motion of Pentamethylcyclopentadienyl Ligands Coupled to Atom Rearrangement in a Dithionite Ligand (2008)
  • Author(s): H. Nakai, T. Nonaka, Y. Miyano, M. Mizuno, Y. Ozawa, K. Toriumi, N. Koga, T. Nishioka, M. Irie, Kisobe
  • Journal Title: J. Am. Chem. Soc. 130 Pages: 17836-17845
  • Peer Reviewed
• [Journal Article] Dynamics of [Zn(D20)6]^<2+> in [Zn(D_2O_6][SiF_6] Crystal as Studied by 1D, 2D Spectra and Spin-Lattice Relaxation Time of ^2H NMR (2008)
  • Author(s): T.Araya, A.Niwa, M.Mizuno, K.Endo
  • Journal Title: Chem.Phys. 344 Pages: 291-298
  • Peer Reviewed
• [Journal Article] Molecular Dynamics in Paramagnetic Materials as Studied by Magic-Angle Spinning ^2H NMR Spectra (2007)
  • Author(s): M. Mizuno*, Y. Suzuki, K. Endo, M. Murakami, M. Tansho, T. Shimizu
  • Journal Title: J. Phys. Chem. A 111 Pages: 12954-12960
  • Peer Reviewed
• [Journal Article] Molecular Dynamics in Paramag netic Materials as Studied by Magic-Angle Spinning ZHNMR Spectra (2007)
  • Author(s): M. Mizuno, Y. Suzuki, K. Endo, M. Murakami, M. Tansho, T. Shimizu
  • Journal Title: J.Phys.Chem.A 111 Pages: 12954-12960
  • Peer Reviewed
• [Presentation] 固体NMRによるリゾチーム結晶中の水和水のダイナミクスと構造の研究 (2009)
  • Author(s): 新屋隆士, 宮東達也, 水野元博
  • Organizer: 日本化学会第89春季年会
  • Place of Presentation: 船橋
  • Year and Date: 2009-03-30
• [Presentation] 固体NMRによるリゾチーム結晶中の水和水のダイナミクスと構造の研究 (2009)
  • Author(s): 新屋隆士, 宮東達也, 水野元博
  • Organizer: 日本化学会第89春季年会
  • Place of Presentation: 日本大学理工学部船橋キャンパス
  • Year and Date: 2009-03-30
• [Presentation] Hydration Water Dynamics in Biomaterials Studied by Simulation Analysis of Deuterium Solid-State NMR (2009)
  • Author(s): M. Mizuno, T. Araya, T. Miyato
  • Organizer: Joint International Open Symposium for Molecular Science, Fluctuations toward Biological Functions
  • Place of Presentation: Okazaki, Japan
  • Year and Date: 2009-03-17
• [Presentation] Hydration Water Dynamics in Biomaterials Studied by Simulation Analysis of Deuterium Solid-state NMR (2009)
  • Author(s): 水野元博, 新屋隆士, 宮東達也
  • Organizer: Joint International Open Symposium for Molecular Science and Fluctuations toward Biological Functions
  • Place of Presentation: 岡崎コンファレンスセンター
  • Year and Date: 2009-03-17
• [Presentation] 固体^2H NMRによるウシ血清アルブミン結晶中の水和水のダイナミクスの研究 (2008)
  • Author(s): 宮東達也, 新屋隆士, 水野元博
  • Organizer: 平成20年度日本化学会近畿支部北陸地区講演会と研究発表会
  • Place of Presentation: 福井
  • Year and Date: 2008-11-15
• [Presentation] 固体NMRによるフェリチン結晶の水和水のダイナミクスの研究 (2008)
  • Author(s): 新屋隆士, 宮東達也, 水野元博
  • Organizer: 第47回NMR討論会
  • Place of Presentation: 筑波大学大学会館講堂
  • Year and Date: 2008-11-14
• [Presentation] 固体NMRによるフェリチン結晶の水和水のダイナミクスの研究 (2008)
  • Author(s): 新屋隆士, 宮東達也, 水野元博
  • Organizer: 第47回NMR討論会
  • Place of Presentation: つくば
  • Year and Date: 2008-11-12
• [Presentation] 固体NMRによるリゾチーム結晶の水和水のダイナミクスと物性の研究 (2008)
  • Author(s): 新屋隆士, 水野元博
  • Organizer: 分子科学討論会2008
  • Place of Presentation: 福岡
  • Year and Date: 2008-09-25
• [Presentation] 固体NMRによるリゾチーム結晶の水和水のダイナミクスと物性の研究 (2008)
  • Author(s): 新屋隆士, 水野元博
  • Organizer: 第2回分子科学討論会
  • Place of Presentation: 福岡国際会議場
  • Year and Date: 2008-09-25
• [Presentation] 固体NMRによるリゾチーム結晶の水和水のダイナミクスと局所構造の研究 (2008)
  • Author(s): 新屋隆士, 水野元博, 遠藤一央
  • Organizer: 日本化学会第88春季年会
  • Place of Presentation: 東京
  • Year and Date: 2008-03-28
• [Presentation] 固体NMRによるリゾチーム結晶の水和水のダイナミクスと構造の研究 (2008)
  • Author(s): 新屋 隆士、水野 元博、遠藤 一央
  • Organizer: 第88回目本化学会春季年会
  • Place of Presentation: 立教大学 池袋キャンパス
  • Year and Date: 2008-03-28
• [Presentation] Development of Solid-State NMR Simulation for Analysis of Coordination Space (2007)
  • Author(s): M. Mizuno, Y. Suzuki, K. Endo, M. Murakami, M. Tansho, T. Shimizu
  • Place of Presentation: Awaji, Japan
  • Year and Date: 2007-12-09
• [Presentation] Separation of ^2H MAS NMR Spectra in Paramagnetic Compounds by Two-Dimensional Spectroscopy (2007)
  • Author(s): M. Mizuno, Y. Suzuki, K. Endo, M. Murakami, M. Tansho, T. Shimizu
  • Organizer: 16^<th> Triennial Conference for the International Society of Magnetic Resonance
  • Place of Presentation: Kenting, Taiwan
  • Year and Date: 2007-10-13
• [Book] 多核種の溶液および固体NMR錯体化学会選書4 (2008)
  • Author(s): 北川進, 水野元博, 前川雅彦
  • Total Pages: 349
  • Publisher: 三共出版
• [Book] 多核種の溶液および固体NMR (2008)
  • Author(s): 北川進, 水野元博, 前川雅彦
  • Total Pages: 349
  • Publisher: 三共出版
• [Remarks]
  • URL: http://chem.s.kanazawa-u.ac.jp/theo/index.html
• [Remarks]
  • URL: http://chem.s.kanazawa-u.ac.jp/theo/index.html
• [Remarks]
  • URL: http://chem.s.kanazawa-u.ac.jp/theo/index.html