title: Insights into the behavioral difference of water in the presence of GM1.
abstract: Studies on the structure and dynamics of interfacial water, emphasizing on the properties of water near the surface of biomolecules, are well reported, but there is a lack of evidence on the behavior of water near a comparatively rough surface containing molecules with a bulky head group like GM1. In this report we comparatively analyze the structure and dynamics of water as a function of distance from the lipid head group in GM1 containing lipid bilayers, with the lipid bilayers where GM1 is not present. This approach effectively demonstrates the behavioral difference and hence delayed convergence from bound water to bulk water in the presence of GM1 compared to a relatively smooth surface.
authors.affiliation: Department of Chemistry, University of Calcutta, 92, A. P. C. Road, Kolkata 700009, India.
authors.forename: Ipsita
authors.initials: I
authors.lastname: Basu
authors.affiliation: Department of Physics, Tampere University of Technology, P.O. Box 692, FI-33101 Tampere, Finland.
authors.forename: Moutusi
authors.initials: M
authors.lastname: Manna
authors.affiliation: Department of Chemistry, University of Calcutta, 92, A. P. C. Road, Kolkata 700009, India. Electronic address: chaitalicu@yahoo.com.
authors.forename: Chaitali
authors.initials: C
authors.lastname: Mukhopadhyay
mesh_terms: D005677:G(M1) Ganglioside / Q000737:chemistry / Q000378:metabolism*; D008051:Lipid Bilayers / Q000737:chemistry / Q000378:metabolism; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D014867:Water / Q000737:chemistry / Q000378:metabolism*
chemical_list: D008051:Lipid Bilayers; D014867:Water; D005677:G(M1) Ganglioside
keywords: Behavioral difference of water; Delayed convergence of interfacial property to bulk property; Dynamic; GM1; Rough surface; Structure