Morphological changes of amphiphilic molecular assemblies induced by chemical reactions

Shape transformations of amphiphilic molecular assemblies induced by chemical reactions are studied using coarse-grained molecular simulations. A binding reaction between hydrophilic and hydrophobic molecules is considered. It is found that the reaction induces transformation of an oil droplet to a...

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Bibliographic Details
Published inSoft matter Vol. 11; no. 7; pp. 143 - 1411
Main Authors Nakagawa, Koh M, Noguchi, Hiroshi
Format Journal Article
LanguageEnglish
Published England 01.01.2015
Subjects
Assemblies
Bending
Binding
Chemical reactions
Droplets
Rigidity
Simulation
Transformations
Vesicles
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Summary:Shape transformations of amphiphilic molecular assemblies induced by chemical reactions are studied using coarse-grained molecular simulations. A binding reaction between hydrophilic and hydrophobic molecules is considered. It is found that the reaction induces transformation of an oil droplet to a tubular vesicle via bicelles and vesicles with discoidal arms. The discoidal arms close into vesicles, which are subsequently fused into the tubular vesicle. Under the chemical reaction, the bicelle-to-vesicle transition occurs at smaller sizes than in the absence of the hydrophobic molecules. It is revealed that the enhancement of this transition is due to embedded hydrophobic particles that reduce the membrane bending rigidity. Shape transformations of amphiphilic molecular assemblies induced by chemical reactions are studied using coarse-grained molecular simulations.
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ISSN:1744-683X
1744-6848
DOI:10.1039/c4sm02571g