NDLI: Instability of cholesterol clusters in lipid bilayers and the cholesterol's Umbrella effect.

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Instability of cholesterol clusters in lipid bilayers and the cholesterol's Umbrella effect.

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Instability of cholesterol clusters in lipid bilayers and the cholesterol's Umbrella effect.

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Dai, Jian Alwarawrah, Mohammad Huang, Juyang
Description	Author Affiliation: Dai J ( Department of Physics, Texas Tech University, Lubbock, Texas 79409, USA.)
Abstract	The instability of cholesterol clusters and the Umbrella effect of cholesterol in dipalmitoylphosphatidylcholine (DPPC) and dioleoylphosphatidylcholine (DOPC) lipid bilayers were investigated via atomistic molecular dynamics (MD) simulation. Cholesterol clusters in phosphatidylcholine (PC) bilayers are found to be very unstable and to readily disperse into cholesterol monomers. This instability results from the difficulty of the bilayer system in preventing water exposure to cholesterol's bulky hydrophobic bodies in a cluster. The system responds to artificially arranged cholesterol clusters in several interesting manners: (i) cholesterol clusters quickly form a 'frustum' shape to reduce water penetration between cholesterol headgroups; (ii) many clusters bury themselves deeper into the bilayer interior, causing bilayer deformation; and (iii) cholesterol fluctuates rapidly, both laterally and vertically, to escape clusters. These fluctuations result in the disintegration of clusters and, in one incidence, a highly unusual flip-flop event of cholesterol across the DOPC bilayer. Our results show that cholesterols have a strong tendency to avoid forming clusters in lipid bilayers and that the fundamental cholesterol-cholesterol interaction is unfavorable. Furthermore, the radial distribution functions of cholesterol hydroxyl oxygen to various headgroup atoms of PC reveal that the PC headgroups surrounding cholesterol have a clear tendency to reorient and to extend toward cholesterol. This reorientation has a layered structure that extends 2-3 nm from the cholesterol molecule. This study demonstrates that the Umbrella hypothesis is valid in both saturated and unsaturated lipid bilayers.
ISSN	15206106
e-ISSN	15205207
Journal	The Journal of Physical Chemistry B
Issue Number	2
Volume Number	114
Language	English
Publisher	American Chemical Society (United States)
Publisher Date	2010-01-21
Publisher Place	United States
Access Restriction	Open
Subject Keyword	1,2-Dipalmitoylphosphatidylcholine Chemistry Cholesterol Lipid Bilayers Phosphatidylcholines Molecular Dynamics Simulation Research Support, N.I.H., Extramural Research Support, U.S. Gov't, Non-P.H.S. Physical chemistry
Content Type	Text
Resource Type	Article
Subject	Surfaces, Coatings and Films Materials Chemistry Medicine Physical and Theoretical Chemistry

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