About: Structure analysis of the interlayer space of vermiculite / chlorhexidine nanocomposite using molecular modeling

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The aim of this work is to give closer information about structure of Na-vermiculite/chlorhexidine diacetate antibacterial nanocomposite. Special attention has been paid to the orientation of the molecules of chlorhexidine in the vermiculite interlayer space. Molecular modeling using empirical force field in Accelrys Materials Studio modeling environment was performed in this study and obtained results were confronted with available experimental data of real samples. Molecular modeling revealed that increasing interlayer distance of vermiculite in dependence on increasing number of chlorhexidine cations in the vermiculite interlayer space is not caused by simply higher amount of chlorhexidine cations but by the different space arrangement. Molecular modeling results also led to the conclusion that it is the vermiculite surface which is primarily responsible for the modulation of antibacterial properties of vermiculite/chlorhexidine diacetate nanocomposite. The aim of this work is to give closer information about structure of Na-vermiculite/chlorhexidine diacetate antibacterial nanocomposite. Special attention has been paid to the orientation of the molecules of chlorhexidine in the vermiculite interlayer space. Molecular modeling using empirical force field in Accelrys Materials Studio modeling environment was performed in this study and obtained results were confronted with available experimental data of real samples. Molecular modeling revealed that increasing interlayer distance of vermiculite in dependence on increasing number of chlorhexidine cations in the vermiculite interlayer space is not caused by simply higher amount of chlorhexidine cations but by the different space arrangement. Molecular modeling results also led to the conclusion that it is the vermiculite surface which is primarily responsible for the modulation of antibacterial properties of vermiculite/chlorhexidine diacetate nanocomposite. (en)
Title	Structure analysis of the interlayer space of vermiculite / chlorhexidine nanocomposite using molecular modeling Structure analysis of the interlayer space of vermiculite / chlorhexidine nanocomposite using molecular modeling (en)
skos:prefLabel	Structure analysis of the interlayer space of vermiculite / chlorhexidine nanocomposite using molecular modeling Structure analysis of the interlayer space of vermiculite / chlorhexidine nanocomposite using molecular modeling (en)
skos:notation	RIV/61989100:27640/12:86084642!RIV14-MSM-27640___
http://linked.open...avai/predkladatel	Centrum nanotechnologií
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(ED1.1.00/02.0070), S
http://linked.open...vai/riv/dodaniDat	2014
http://linked.open...aciTvurceVysledku	Tokarský, Jonáš
http://linked.open.../riv/druhVysledku	D - Článek ve sborníku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Vysoká škola báňská - Technická univerzita Ostrava / Centrum nanotechnologií
http://linked.open...dnocenehoVysledku	171849
http://linked.open...ai/riv/idVysledku	RIV/61989100:27640/12:86084642
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	vermiculite; chlorhexidine; structure; molecular modeling (en)
http://linked.open.../riv/klicoveSlovo	vermiculite molecular modeling structure chlorhexidine
http://linked.open...ontrolniKodProRIV	[3EA2C86467A9]
http://linked.open...v/mistoKonaniAkce	Brno
http://linked.open...i/riv/mistoVydani	Ostrava
http://linked.open...i/riv/nazevZdroje	NANOCON 2012 : 4th international conference : conference proceedings : October 23rd-25th 2012, hotel Voroněž I, Brno, Czech Republic, EU
http://linked.open...in/vavai/riv/obor	JI
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	IT4Innovations Centre of Excellence
http://linked.open...UplatneniVysledku	2012
http://linked.open...iv/tvurceVysledku	Hlaváč, Dominik Tokarský, Jonáš
http://linked.open...vavai/riv/typAkce	EUR - Evropská
http://linked.open...ain/vavai/riv/wos	000333697100104
http://linked.open.../riv/zahajeniAkce	2012-10-23 (xsd:date)
number of pages	5 (xsd:int)
http://purl.org/ne...btex#hasPublisher	Tanger s.r.o.
https://schema.org/isbn	978-80-87294-35-2
http://localhost/t...ganizacniJednotka	27640

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