Molecular Modeling of Antibacterial Clay Nanocomposites
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F16%3A86099626" target="_blank" >RIV/61989100:27640/16:86099626 - isvavai.cz</a>
Alternative codes found
RIV/61989100:27740/16:86099626
Result on the web
<a href="http://dx.doi.org/10.1166/asl.2016.6907" target="_blank" >http://dx.doi.org/10.1166/asl.2016.6907</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1166/asl.2016.6907" target="_blank" >10.1166/asl.2016.6907</a>
Alternative languages
Result language
angličtina
Original language name
Molecular Modeling of Antibacterial Clay Nanocomposites
Original language description
Interlayer structures of montmorillonite and vermiculite clay minerals intercalated by antibacterial compound chlorhexidine diacetate were studied using molecular modeling based on molecular dynamics force field approach. For each clay mineral, a set of models with different content of chlorhexidine and water molecules in the interlayer space were prepared and optimized. Basal spacings of resulting structures were calculated and confronted with experimental X-ray data obtained from real samples. On this basis, molecular modeling confirmed initial assumption about higher content of chlorhexidine in vermiculite than in montmorillonite.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
JI - Composite materials
OECD FORD branch
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Result continuities
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)<br>S - Specificky vyzkum na vysokych skolach
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Advanced Science Letters : 4th Biennial Nanomaterials and Nanotechnology International Conference : proceedings : May 18-21, 2015, Ostrava, Czech Republic
ISSN
1936-6612
e-ISSN
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Volume of the periodical
22
Issue of the periodical within the volume
3
Country of publishing house
US - UNITED STATES
Number of pages
4
Pages from-to
666-669
UT code for WoS article
000381233100014
EID of the result in the Scopus database
2-s2.0-84985898312