Molecular dynamics study of catanionic bilayers composed of ion pair amphiphile with double-tailed cationic surfactant

Langmuir : the ACS Journal of Surfaces and Colloids
An-Tsung KuoWataru Shinoda

Abstract

The physical stability of catanionic vesicles is important for the development of novel drug or DNA carriers. For investigating the mechanism by which catanionic vesicles are stabilized, molecular dynamics (MD) simulation is an attractive approach that provides microscopic structural information on the vesicular bilayer. In this study, MD simulation was applied to investigate the bilayer properties of catanionic vesicles composed of an ion pair amphiphile (IPA), hexadecyltrimethylammonium-dodecylsulfate (HTMA-DS), and a double-tailed cationic surfactant, ditetradecyldimethylammonium chloride (DTDAC). Structural information regarding membrane elasticity and the organization and conformation of surfactant molecules was obtained based on the resulting trajectory. Simulation results showed that a proper amount of DTDAC could be used to complement the asymmetric structure between HTMA and DS, resulting in an ordered hydrocarbon chain packing within the rigid membrane observed in the mixed HTMA-DS/DTDAC system. The coexistence of gel and fluid phases was also observed in the presence of excess DTDAC. MD simulation results agreed well with results obtained from experimental studies examining mixed HTMA-DS/DTDAB vesicles.

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Citations

Dec 19, 2013·Langmuir : the ACS Journal of Surfaces and Colloids·An-Tsung Kuo, Chien-Hsiang Chang
Apr 1, 2016·The Journal of Physical Chemistry. B·Subhankur MitraRamaprosad Mukhopadhyay
Feb 27, 2015·The Journal of Physical Chemistry. B·Pritam GuhaAmiya Kumar Panda
Apr 4, 2013·The Journal of Physical Chemistry Letters·Vitaly V ChabanHimanshu Khandelia
Apr 19, 2016·Journal of Oleo Science·An-Tsung Kuo, Chien-Hsiang Chang
Jan 23, 2017·The Journal of Chemical Physics·Fong-Yin Huang, Chi-Cheng Chiu
Feb 14, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Ji ChenYong-Mei Xia
Apr 3, 2019·Langmuir : the ACS Journal of Surfaces and Colloids·Xueying ZhaoHongyuan Wei

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