Citation: CHEN Cong, LI Wei-Zhong, SONG Yong-Chen, WENG Lin-Dong. Structure and Kinetics of Hydrogen Bonds in Aqueous Glucose Solutions[J]. Acta Physico-Chimica Sinica, ;2011, 27(06): 1372-1378. doi: 10.3866/PKU.WHXB20110626 shu

Structure and Kinetics of Hydrogen Bonds in Aqueous Glucose Solutions

1.
Key Laboratory of Ocean Energy Utilization and Energy Conservation of Ministry of Education, Dalian University of Technology, Dalian 116024, Liaoning Province, P. R. China

Received Date: 31 March 2011
Available Online: 5 May 2011
Fund Project: 国家自然科学基金重点项目(50736001) (50736001)教育部中央高校基本科研业务费专项资金(DUT11NY01)资助 (DUT11NY01)

Hydrogen bonding structure and kinetics in aqueous glucose solutions with different concentrations were studied using the molecular dynamics simulation method. The percentage distributions of glucose and water molecules with i hydrogen bonds (intra, inter, or both) were analyzed. We find that a critical number N exists and the percentage of glucose or water molecules with N hydrogen bonds is the highest. When i<N, the percentage of glucose or water molecules with i hydrogen bonds increases as the glucose concentration increases, while when i>N the percentage of glucose or water molecules with i hydrogen bonds decreases as the glucose concentration increases. Continuous and intermittent autocorrelation functions for the different hydrogen bonds (intra-hydrogen bonds in the glucose molecules, hydrogen bonds between glucose molecules, hydrogen bonds between the water molecules, hydrogen bonds between the glucose and water molecules, and all hydrogen bonds) and the hydrogen bond lifetimes were also calculated.
- Molecular dynamics simulation,
- Hydrogen bond,
- TIP3P model,
- Cryoprotective agent
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沈阳化工大学材料科学与工程学院沈阳 110142