Title of article :
Formation of water and glucose clusters by hydrogen bonds in glucose aqueous solutions
Author/Authors :
Chen، نويسنده , , Cong and Li، نويسنده , , Wei Zhong and Song، نويسنده , , Yong Chen and Weng، نويسنده , , Lin Dong and Zhang، نويسنده , , Ning، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2012
Abstract :
Glucose aqueous solutions with different concentrations have been studied using molecular dynamics simulation methods to analyze hydrogen bond clusters. Density profiles analysis revealed that there is local clustering of glucose and water molecules in the higher concentration systems. Hydrogen bonds analysis found that as glucose concentration increases, the glucose–water and glucose–glucose hydrogen bond interactions increase. Percolation analysis showed that the percolation threshold for water clusters is around 0.151. The percolation threshold for glucose clusters has also been discussed.
Keywords :
Glucose , Cluster , Hydrogen bond , Molecular dynamics simulation
Journal title :
Computational and Theoretical Chemistry
Journal title :
Computational and Theoretical Chemistry