Monte Carlo study of the self-assembly of achiral bolaform amphiphiles into helical nanofibers

It is shown by coarse-grained off-lattice Monte Carlo simulations that a geometrically induced frustration of the parallel arrangement of rigid achiral bolaform amphiphiles can cause chirality in self-assembled nanostructures. The amphiphilic molecules are represented as rigid linear chains of 8 equ...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1999. - 26(2010), 5 vom: 02. März, Seite 2979-82
1. Verfasser: Wahab, M (VerfasserIn)
Weitere Verfasser: Schiller, P, Schmidt, R, Mögel, H-J
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2010
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article
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520 |a It is shown by coarse-grained off-lattice Monte Carlo simulations that a geometrically induced frustration of the parallel arrangement of rigid achiral bolaform amphiphiles can cause chirality in self-assembled nanostructures. The amphiphilic molecules are represented as rigid linear chains of 8 equally sized hydrophobic spheres (tail) and a hydrophilic sphere (head) at each end. The hydrophilic and hydrophobic spheres differ in size. A very simple interaction scheme consisting of only hard-core repulsion between all spheres and square-well attraction between hydrophobic spheres is sufficient for self-assembly into helical fibers for molecules with head/tail diameter ratios ranging from 1.3 to 1.8 
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700 1 |a Schmidt, R  |e verfasserin  |4 aut 
700 1 |a Mögel, H-J  |e verfasserin  |4 aut 
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