Sensitivity of hydrogen bond lifetime dynamics to the presence of ethanol at the interface of a phospholipid bilayer

Article Abstract:

The presence of an extended network of hydrogen bonds in liquid water is responsible for many exotic structural and dynamical properties of water and the formation and breaking of hydrogen bonds play a crucial role in determining the dynamical properties of water. The dynamics of hydrogen bonds can be probed and interpreted only qualitatively by different experimental techniques, such as Raman scattering, depolarized light scattering, inelastic neutron scattering and ultrafast IR spectroscopy.

Science & research, Research, Neutrons, Hydrogen bonding, Hydrogen bonds, Lipid membranes, Mechanical properties, Properties, Neutron scattering

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Hydration layer of a cationic micelle, C10TAB: Structure, rigidity, slow reorientation, hydrogen bond lifetime, and solvation dynamics

Article Abstract:

The structure and dynamics of the water layer present at the surface of the cationic micelle decyltrimethylammonium bromide by using atomistic molecular dynamics simulations is studied. The results demonstrate that the slow dynamics of hydration layer water is generic to macromolecular surfaces of either polarity.

Water, Thermal properties, Micelles, Hydrodynamics, Water analysis, Structure, Hydrofoil boats

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Atomistic simulation study of the coupled motion of amino acid residues and water molecules around protein HP-36: fluctuations at and around the active sites

Article Abstract:

Atomistic molecular dynamics simulations of HP-36 with explicit water are performed. The correlation between the dynamics of the amino acid residues, dynamics of surrounding water molecules and the biological activity of the protein is analyzed.

Protein synthesis, Protein biosynthesis, Binding sites (Biochemistry), Active sites (Biochemistry)

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