Document Details

Document Type : Article In Journal 
Document Title :
Computer modelling and simulations of thermotropic and lyotropic alkyl glycoside bilayers
Computer modelling and simulations of thermotropic and lyotropic alkyl glycoside bilayers
 
Subject : Chemistry 
Document Language : English 
Abstract : Simulations on bilayers have previously proven their ability to provide insights to membrane functions such as fusion. Most simulations are based on the major components of cell membranes, which are phospholipids and cholesterol. Membranes can be explained on the basis of hydrophilic and hydrophobic interactions via hydrogen bonding, van der Waals interactions and repulsive forces. While particularly phospholipids have gained significant attention in bio-related modelling and simulations, glycolipids, which constitute another major component of cell membranes, have not been similarly studied. Here we present the simulation of bilayers for the six most common and simple stereoisomeric glycolipids, namely the α- and β-octyl glycosides of glucose, galactose and mannose, in both thermotropic and lyotropic systems. All these compounds form thermotropic smectic A phases and can exhibit lyotropic lamellar assemblies. We have studied the hydrogen bonding and linked the results to the temperature stability of the corresponding liquid crystal phase. In addition to the mesophase-stabilizing effect of hydrogen bonding in general, we found that the thermal stability appears to be particularly affected by intralayer hydrogen bonding. The simulations also confirmed a significant difference in the density of the lipophilic region for α- and β-glycosides, which has previously been used to explain differences in clearing temperatures. 
ISSN : 0267-8292 
Journal Name : Liquid Crystals 
Volume : 34 
Issue Number : 3 
Publishing Year : 1428 AH
2007 AD 
Article Type : Article 
Added Date : Monday, December 26, 2011 

Researchers

Researcher Name (Arabic)Researcher Name (English)Researcher TypeDr GradeEmail
Teoh Teow ChongChong, Teoh TeowResearcherDoctorate 
Thorsten HeidelbergHeidelberg, Thorsten ResearcherDoctorate 
Rauzah HashimHashim, Rauzah ResearcherDoctoraterauzah@um.edu.my
سعدالله قاري عزيزAziz, Saadullah GResearcherDoctorate 

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