Monte Carlo study of the self-assembly of achiral bolaform amphiphiles into helical nanofibers.
Langmuir
; 26(5): 2979-82, 2010 Mar 02.
Article
en En
| MEDLINE
| ID: mdl-20063870
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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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Langmuir
Asunto de la revista:
QUIMICA
Año:
2010
Tipo del documento:
Article
País de afiliación:
Alemania
Pais de publicación:
Estados Unidos