434121 Modeling the Formation and Lipid Distribution of Lipid Bilayers on a Curved Surface Using Multi-Particle Collision Dynamics

Monday, November 9, 2015
Exhibit Hall 1 (Salt Palace Convention Center)
Ching-Kuan Wang and Chih-Chen Hsieh, Chemical Engineering Department, National Taiwan University, Taipei, Taiwan

It has been found that negatively charged DNA will gather and unravel spontaneously on lipid bilayers supported on a grooved surface. The bilayers are formed by a mixture of cationic and neutral lipids while DNA are found concentrated and stretched along the root of the grooves. The phenomenon is believed to be caused by the uneven distribution of cationic lipids due to the effect of surface curvature. However, this hypothesis is difficult to examine by experiments. In this study, we use Multi-particle collision dynamics (MPCD) simulations to model the lipid bilayer formed on a surface. To begin with, we first construct a system to model the self-assembly of lipid bilayers in a free space. Then a flat surface is presented to the system so the lipid bilayers formed on surface with no curvature can be monitored. Finally, the surface is set to have certain curvature to determine the lipid molecule distribution in the bilayers and the key factors affecting this distribution. The results of this study shall provide important insight of the mysterious DNA unraveling phenomenon and provide key information on how to control this phenomenon in applications for DNA manipulation.

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