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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

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    JI - Composite materials

  • OECD FORD branch

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

  • 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