Inhomogeneity effects on the structure and dynamics of water at the surface of a membrane: a computer simulation study.
The authors report the structural and dynamical properties of water interacting with the surface of a lipid bilayer. Three regions have been identified, which show different dynamical regimes of water: a region of strong water-solute interaction, a transition region, and the bulk water region. The dynamics of the strong-interacting water is dominated by caging effects, as shown by the analysis of the self-intermediate scattering function, and by the disrupture of water's hydrogen bond network, while the smooth transition to bulk water is traced back to the roughness of the bilayer surface.
Garberoglio
G
G
Dipartimento di Fisica, Università di Trento, Via Sommarive 14, Povo, TN, Italy.
Sega
M
M
Vallauri
R
R
D003198:Computer Simulation; D008051:Lipid Bilayers / Q000737:chemistry* / Q000378:metabolism; D008956:Models, Chemical; D014867:Water / Q000737:chemistry* / Q000378:metabolism
D008051:Lipid Bilayers; D014867:Water