Spectroscopic and thermodynamic studies on temperature-controlled biomolecules with water

• Project/Area Number: 23685005
• Research Category: Grant-in-Aid for Young Scientists (A)
• Allocation Type: Single-year Grants
• Research Field: Physical chemistry
• Research Institution: Kyushu University
• Principal Investigator: SAKOTA Kenji 九州大学, 理学(系)研究科(研究院), 助教 (80346767)
• Project Period (FY): 2011-04-01 – 2013-03-31
• Project Status: Completed (Fiscal Year 2013)
• Budget Amount: ¥30,160,000 (Direct Cost: ¥23,200,000、Indirect Cost: ¥6,960,000); Fiscal Year 2012: ¥8,320,000 (Direct Cost: ¥6,400,000、Indirect Cost: ¥1,920,000); Fiscal Year 2011: ¥21,840,000 (Direct Cost: ¥16,800,000、Indirect Cost: ¥5,040,000)
• Keywords: クラスター / 赤外分光 / 水和構造ゆらぎ / 生体分子イオン / イオントラップ / エレクトロスプレーイオン化

Research Abstract

We applied infrared depletion spectroscopy for molecular clusters in the gas phase which was heated up from low to high temperature. Based on experimental and theoretical results, we got information on structural fluctuations of the hydrated clusters. One of these clusters shows the re-folding of side chain conformations and the structural fluctuations. There is a correlation between these dynamical processes. The entropic effect play an important role in the phenomena observed in this study.

Research Products

• [Journal Article] Weak hydrogen bonding motifs of ethylamino neurotransmitter radical cations in a hydrophobic environment : infrared spectra of tryptamine^+-(N_2)_n clusters (n≤6) (2014)
  • Author(s): Kenji Sakota, Markus Schutz, Matthias Schmies, Raphael Moritz, Aude Bouchet, Takamasa Ikeda, Yuuki Kouno, Hiroshi Sekiya and Otto Dopfer
  • Journal Title: Physical Chemistry Chemical Physics Volume: 16 Issue: 8 Pages: 3798-3806
  • DOI: 10.1039/c3cp54127d
  • Peer Reviewed
• [Journal Article] Infrared spectroscopy of hydrated N-(2-phenylethyl)acetamide clusters : The electron-redistribution within the solute weakens local hydrogen bond (2013)
  • Author(s): Kenji Sakota, Satoshi Harada, Hiroshi Sekiya
  • Journal Title: Chem. Phys Volume: 419 Pages: 138-144
  • DOI: 10.1016/j.chemphys.2013.01.020
  • Peer Reviewed
• [Journal Article] IR spectroscopy of monohydrated tryptamine cation : Rearrangement of the intermolecular hydrogen bond induced by photoionization (2012)
  • Author(s): Kenji Sakota, Yuuki Kouno, Satoshi Harada, Mitushiko Miyazaki, Masaaki Fujii, Hiroshi Sekiya
  • Journal Title: J. Chem. Phys Volume: 137 Issue: 22 Pages: 224311-224311
  • DOI: 10.1063/1.4769878
  • Peer Reviewed
• [Journal Article] Photoionization-induced water migration in the hydrated trans-formanilide cluster cation revealed by gas-phase spectroscopy and ab initio molecular dynamics simulation (2012)
  • Author(s): Takamasa Ikeda, Kenji Sakota, Yukio Kawashima, Hiroshi Sekiya
  • Journal Title: J. Phys. Chem. A Volume: 116 Issue: 15 Pages: 3816-3823
  • DOI: 10.1021/jp301804w
  • Peer Reviewed
• [Journal Article] Photoionization-Induced Water Migration in the Hydrated Trans-Formanilide Cluster Cation Revealed By Gas-Phase Spectroscopy and Ab Initio Molecular Dynamics Simulation (2012)
  • Author(s): Ikeda, et al
  • Journal Title: The Journal of Physical Chemistry A Volume: (In press)
  • Peer Reviewed
• [Journal Article] Photon induced isomerization in the first excited state of the 7-azaindole-(H_2O)_3 cluster (2011)
  • Author(s): G.A.Pino, I.Alata, C.Dedonder, C.Jouvet, K.Sakota, H.Sekiya
  • Journal Title: Phys.Chem.Chem.Phys. Volume: 13 Issue: 13 Pages: 6325-6331
  • DOI: 10.1039/c1cp00015b
  • Peer Reviewed
• [Journal Article] Entropy-driven rearrangement of the water network at the hydrated amide group of the trans-formanilide-water cluster in the gas phase (2011)
  • Author(s): K.Sakota, Y.Shimazaki, H.Sekiya
  • Journal Title: Phys.Chem.Chem.Phys Volume: 13 Issue: 14 Pages: 6411-6415
  • DOI: 10.1039/c0cp02836c
  • Peer Reviewed
• [Journal Article] Photoionization-induced water migration in the amide group of trans-acetanilide-(H_2O)_1 in the gas phase (2011)
  • Author(s): K.Sakota, S.Harada, Y.Shimazaki, H.Sekiya
  • Journal Title: J.Phys.Chem.A Volume: 115 Issue: 5 Pages: 626-630
  • DOI: 10.1021/jp111737y
  • Peer Reviewed
• [Presentation] Ionization-induced fluctuation of hydration structures probed by IR spectroscopy (2013)
  • Author(s): K. Sakota
  • Organizer: 15th Asian Chemical Congress
  • Place of Presentation: Resorts World Sentosa, シンガポール
• [Presentation] Hydrogen-bond fluctuation in microsolvated biomolecule (2013)
  • Author(s): K. Sakota
  • Organizer: Japan-Korea Symposium for Molecular Science
  • Place of Presentation: 北野プラザ六甲荘
• [Presentation] "Rearrangement and fluctuation of hydrogen bond in gaseous cluster cations" Asian International Symposium (2013)
  • Author(s): K. Sakota
  • Organizer: Annual meeting of the International Symposium, Annual meeting of the Chemical Society of Japan
  • Place of Presentation: 立命館大学
• [Presentation] Ionization-induced fluctuation of hydration structures probed by IR spectroscopy (2013)
  • Author(s): 迫田憲治
  • Organizer: 15th Asian Chemical Congress
  • Place of Presentation: Resorts World Sentosa，シンガポール
  • Invited
• [Presentation] Hydrogen-bond fluctuation in microsolvated biomolecule (2013)
  • Author(s): 迫田憲治
  • Organizer: Japan-Korea Symposium for Molecular Science
  • Place of Presentation: 北野プラザ六甲荘，神戸
  • Invited
• [Presentation] 5-ヒドロキシインドール水和クラスターの孤立気相分光：水和構造ゆらぎの観測 (2013)
  • Author(s): 迫田憲治，河野友輝，関谷博
  • Organizer: 分子科学討論会
  • Place of Presentation: 京都テルサ．京都
• [Presentation] Rearrangement of hydrogen bond observed in hydrated molecular clusters (2012)
  • Author(s): K. Sakota
  • Organizer: 2012 Workshop on exploring the structures and dynamics of water at interfaces
  • Place of Presentation: Institute of atomic and molecular sciences, 台湾
• [Presentation] Fluctuation of hydrogen bond in the gas phase : Large amplitude floating of a water (2012)
  • Author(s): K. Sakota
  • Organizer: The 16th East Asian workshop on chemical dynamics
  • Place of Presentation: National Tsing Hua University,台湾
• [Presentation] ゆらぐ反応場の理解を目指して (2012)
  • Author(s): 迫田憲冶
  • Organizer: 次世代分子科学に向けた複合研究討論会
  • Place of Presentation: 分子科学研究所
• [Presentation] ピコ秒時間分解分光および赤外分光による7-アザインドール水和クラスターの励起状態多重プロトン移動に関する研究 (2011)
  • Author(s): 迫田憲冶
  • Organizer: 第5回分子科学討論会
  • Place of Presentation: 札幌コンベンションセンター
  • Year and Date: 2011-09-20
• [Presentation] Spectroscopic study on the rearrangement of the water network at the hydrated amide group in the gas phase (2011)
  • Author(s): 迫田憲冶
  • Organizer: The 14^<rd> Asian chemical congress
  • Place of Presentation: Bangkok, Thailand(招待講演)
  • Year and Date: 2011-09-06
• [Presentation] Excited-state multiple-proton transfer on 7-azaindole clusters probed by frequency- and time-domain spectroscopy (2011)
  • Author(s): 迫田憲冶
  • Organizer: The 3^<rd> symposium on gas-phase reaction Dynamics and laser spectroscopy
  • Place of Presentation: Daejeon, Korea(招待講演)
  • Year and Date: 2011-08-19
• [Presentation] Rearrangement of hydrogen-bonded network observed at the hydrated amide group in the gas phase (2011)
  • Author(s): 迫田憲冶
  • Organizer: 15^<th> East Asia workshop on chemical dynamics
  • Place of Presentation: Pohang, Korea(招待講演)
  • Year and Date: 2011-05-17
• [Presentation] Spectroscopic study on the rearrangement of the water network at the hydrated amide group in the gas phase (2011)
  • Author(s): K. Sakota
  • Organizer: The 14th Asian chemical congress
  • Place of Presentation: Queen Sirikit National Convention Center, タイ
• [Presentation] Excited-state multiple-proton transfer on 7-azaindole clusters probed by frequency and time-domain spectroscopy (2011)
  • Author(s): K. Sakota
  • Organizer: The 3th symposium on gas-phase reaction dynamics and laser spectroscopy
  • Place of Presentation: Daejeon Convention Center, 韓国
• [Presentation] Rearrangement of hydrogen-bonded network observed at the hydrated amide group in the gas phase (2011)
  • Author(s): K. Sakota
  • Organizer: The 15th East Asian workshop on chemical dynamics
  • Place of Presentation: POSTECH, 韓国
• [Remarks]
  • URL: http://www.scc.kyushu-u.ac.jp/Kouzou/str3j.html
• [Remarks]
  • URL: http://www.scc.kyushu-u.ac.jp/Kouzou/str3j.html