Molecular interpretation of the hydrophobic hydration of the amino acid derivatives using IR and THz spectroscopies and DFT calculations
| Project/Area Number |
21550011
|
|---|
| Research Category |
Grant-in-Aid for Scientific Research (C)
|
| Allocation Type | Single-year Grants |
|---|
| Section | 一般 |
|---|
| Research Field |
Physical chemistry
|
|---|
| Research Institution | University of Fukui |
|---|
Principal Investigator |
MIZUNO Kazuko 福井大学, 大学院・工学研究科, シニアフェロー (10126641)
|
|---|
| Project Period (FY) |
2009 – 2011
|
| Project Status |
Completed (Fiscal Year 2011)
|
| Budget Amount *help |
¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2011: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000)
Fiscal Year 2010: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2009: ¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
|
|---|
| Keywords | 弱い水素結合 / C-H…OH_2 / 分子間振動スペクトル / 疎水性水和 / 低分極なのにより束縛された水 / テラヘルツ分光法 / 赤外分光法 / 水の変角振動 / N-アセチル-L-アラニン-N-メチルアミド / 弱い(ブルーシフティング)水素結合 / テラヘルツ時間領域分光法 / 水の水素結合ドナー性 / 水の水素結合アクセプター性 / 水和クラスター / シミュレーション / アミノ酸誘導体 / DFT法 |
|---|
| Research Abstract |
We have found "strange water molecules" in aqueous solutions of organic compounds with a polar group like alcohols, amino acid derivatives, and proteins, where hydrogen bond donating strength of O-H groups is weakened, but the hydrogen bond accepting strength of the water oxygen is strengthened. We have demonstrated that strong co-operative hydrogen bonds are formed among HO-H…O and C-H…OH_2 hydrogen bonds, which leads to the formation of the strange water. We have identified the formation of the weak hydrogen bond C-H…OH_2 as the key role of the hydrophobic hydration of the solutes. We also observed inter-molelcular vibration spectra of C-H…O=C formed within aldehyde dimer and proved experimentally the presence of the weak hydrogen bonds.
|
Report
(4 results)
Research Products
(25 results)
