Spectroscopic and thermodynamic studies on temperature-controlled biomolecules with water

水控温生物分子的光谱和热力学研究

• 批准号: 23685005
• 负责人: SAKOTA Kenji
• 金额: $ 19.3万
• 依托单位: Kyushu University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Young Scientists (A)
• 财政年份: 2011
• 资助国家: 日本
• 起止时间: 2011-04-01 至 2013-03-31
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23685005/
• 关键词: 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

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.

我们将红外耗竭光谱用于在气相中的分子簇，该簇从低温到高温加热。根据实验和理论结果，我们获得了有关水合簇的结构波动的信息。这些集群之一显示了侧链构象和结构波动的重新折叠。这些动力学过程之间存在相关性。熵效应在本研究中观察到的现象中起着重要作用。

项目成果

Entropy-driven rearrangement of the water network at the hydrated amide group of the trans-formanilide-water cluster in the gas phase

气相中反式苯胺-水簇的水合酰胺基团的水网络的熵驱动重排

• DOI: 10.1039/c0cp02836c
• 发表时间: 2011
• 期刊: Phys.Chem.Chem.Phys
• 作者: K.Sakota;Y.Shimazaki;H.Sekiya
• 通讯作者: H.Sekiya

Ionization-induced fluctuation of hydration structures probed by IR spectroscopy

红外光谱探测电离引起的水合结构波动

• 发表时间: 2013
• 作者: M. Nagasaka;H. Yuzawa;T. Horigome;A. P. Hitchcock;N. Kosugi;Heev L. Ayade,Peijuan Zhang,Toshihiro Toyota,Irwin M. ZaidA,Julia YeomansA and Daisuke Mizuno;Tetsuro Hirono;K. Sakota
• 通讯作者: K. Sakota

Photoionization-induced water migration in the hydrated trans-formanilide cluster cation revealed by gas-phase spectroscopy and ab initio molecular dynamics simulation

气相光谱和从头算分子动力学模拟揭示了水合反式苯胺簇阳离子中光电离诱导的水迁移

• DOI: 10.1021/jp301804w
• 发表时间: 2012
• 期刊: J. Phys. Chem. A
• 影响因子: 2.9
• 作者: Takamasa Ikeda;Kenji Sakota;Yukio Kawashima;Hiroshi Sekiya
• 通讯作者: Hiroshi Sekiya

Rearrangement of hydrogen bond observed in hydrated molecular clusters

在水合分子簇中观察到的氢键重排

• 发表时间: 2012
• 作者: Peijuan Zhang;Heev Ayade;水野大介;K. Sakota
• 通讯作者: K. Sakota

Excited-state multiple-proton transfer on 7-azaindole clusters probed by frequency- and time-domain spectroscopy

通过频域和时域光谱探测 7-氮杂吲哚簇上的激发态多质子转移

• 发表时间: 2011
• 作者: R.Tero;G.Sazaki;T.Ujihara;T.Urisu;廣野哲朗;長坂将成;迫田憲冶
• 通讯作者: 迫田憲冶