Self-assembled clusters of patchy rod-like molecules

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F17%3A00095110" target="_blank" >RIV/00216224:14740/17:00095110 - isvavai.cz</a>
Result on the web
<a href="http://pubs.rsc.org/en/Content/ArticleLanding/2017/SM/C7SM01384A#!divAbstract" target="_blank" >http://pubs.rsc.org/en/Content/ArticleLanding/2017/SM/C7SM01384A#!divAbstract</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1039/c7sm01384a" target="_blank" >10.1039/c7sm01384a</a>

Result language
angličtina
Original language name
Self-assembled clusters of patchy rod-like molecules
Original language description
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.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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