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@article{1393664,
author = {Jurásek, Miroslav and Vácha, Robert},
article_location = {CAMBRIDGE},
article_number = {41},
doi = {http://dx.doi.org/10.1039/c7sm01384a},
keywords = {COILED-COIL; HARD SPHEROCYLINDERS; DESIGN},
language = {eng},
issn = {1744-683X},
journal = {SOFT MATTER},
title = {Self-assembled clusters of patchy rod-like molecules},
url = {http://pubs.rsc.org/en/Content/ArticleLanding/2017/SM/C7SM01384A#!divAbstract},
volume = {13},
year = {2017}
}
TY - JOUR
ID - 1393664
AU - Jurásek, Miroslav - Vácha, Robert
PY - 2017
TI - Self-assembled clusters of patchy rod-like molecules
JF - SOFT MATTER
VL - 13
IS - 41
SP - 7492-7497
EP - 7492-7497
PB - ROYAL SOC CHEMISTRY
SN - 1744683X
KW - COILED-COIL
KW - HARD SPHEROCYLINDERS
KW - DESIGN
UR - http://pubs.rsc.org/en/Content/ArticleLanding/2017/SM/C7SM01384A#!divAbstract
L2 - http://pubs.rsc.org/en/Content/ArticleLanding/2017/SM/C7SM01384A#!divAbstract
N2 - The design of complex self-assembled structures remains a challenging task due to the intricate relationship between the properties of the building blocks and the final morphology of the aggregates. Here, we report such a relationship for rod-like particles with one or two attractive patches based on a combination of computer simulations and analytical theory. We investigated the formation of finite aggregates under various conditions and constructed structure diagrams, which can be used to determine and extrapolate the system composition. The size of the clusters is mainly determined by the size of the attractive patches and their geometrical arrangement. We showed that it is challenging to obtain clusters with more than four particles in high yields, and more complex building blocks or additional molecules would need to be used. Moreover, the particles with patch sizes close to the structure boundaries can switch between the aggregate state by a small change in conditions. These findings can be useful for the development of self-assembling building blocks and for the understanding of protein folds of coiled coils under various conditions.
ER -
JURÁSEK, Miroslav and Robert VÁCHA. Self-assembled clusters of patchy rod-like molecules. \textit{SOFT MATTER}. CAMBRIDGE: ROYAL SOC CHEMISTRY, vol.~13, No~41, p.~7492-7497. ISSN~1744-683X. doi:10.1039/c7sm01384a. 2017.
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