Structure and dynamics of water near hydrophilic surfaces
β Scribed by Marie-Claire Bellissent-Funel
- Publisher
- Elsevier Science
- Year
- 1998
- Tongue
- English
- Weight
- 535 KB
- Volume
- 78
- Category
- Article
- ISSN
- 0167-7322
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β¦ Synopsis
Water is essential for the stability and function of biological macromolecules. In living systems, essential water-related phenomena occur in restricted geometries in cells, and at active sites of proteins and membranes or at their surface. In this review paper, we present the more recent up to date account of the structure and dynamics of water confined in pores of porous glass and at surface of a soluble globular protein. The experimental results obtained by neutron scattering are compared with that of bulk water. Some realistic picture of room temperature interfacial water in terms of some increase of the extension of H-bond network of water as it occurs in supercooled water at a temperature 25 K lower is proposed.
π SIMILAR VOLUMES
molecular mechanisms underlying the association of a pro-A molecular model was constructed simulating a pentapeptide tein with a surface. Understanding how a protein adsorbs protein, leucine enkephalin, near a crystalline polyethylene (PE) may suggest ways in which the adsorption process can be surf
An analysis of water clustering is used to study the quasi-2D percolation transition of water adsorbed at planar hydrophilic surfaces. Above the critical temperature of the layering transition (quasi-2D liquid-vapor phase transition of adsorbed molecules) a percolation transition occurs at some thre
We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami