title: Effect of temperature and glycerol on the hydrogen-bond dynamics of water.
abstract: The effect of glycerol, water and glycerol-water binary mixtures on the structure and dynamics of biomolecules has been well studied. However, a lot remains to be learned about the effect of varying glycerol concentration and temperature on the dynamics of water. We have studied the effect of concentration and temperature on the hydrogen bonded network formed by water molecules. A strong correlation between the relaxation time of the network and average number of hydrogen bonds per water molecules was found. The radial distribution function of water oxygen and hydrogen atoms clarifies the effect of concentration on the structure and clustering of water.
authors.affiliation: Computational Biology and Bioinformatics Group, Oak Ridge National Laboratory, Oak Ridge, TN 37830, USA. pkc@ornl.gov
authors.forename: Pavan K
authors.initials: PK
authors.lastname: Ghattyvenkatakrishna
authors.forename: Edward C
authors.initials: EC
authors.lastname: Uberbacher
mesh_terms: D003451:Cryoprotective Agents / Q000737:chemistry; D005990:Glycerol / Q000737:chemistry*; D006860:Hydrogen Bonding; D013696:Temperature; D014867:Water / Q000737:chemistry*
chemical_list: D003451:Cryoprotective Agents; D014867:Water; D005990:Glycerol