Formation of water and glucose clusters by hydrogen bonds in glucose aqueous solutions
Release Time:2019-03-09 Hits:
Indexed by: Journal Article
Date of Publication: 2012-03-15
Journal: COMPUTATIONAL AND THEORETICAL CHEMISTRY
Included Journals: SCIE
Volume: 984
Page Number: 85-92
ISSN: 2210-271X
Key Words: Glucose; Hydrogen bond; Molecular dynamics simulation; Cluster
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. (C) 2012 Elsevier B.V. All rights reserved.