Influence of Temperature and pH on the Properties of Polymeric Drug Carriers: A Molecular Modeling Study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989100%3A27640%2F16%3A86099862" target="_blank" >RIV/61989100:27640/16:86099862 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989100:27740/16:86099862

Výsledek na webu

<a href="http://dx.doi.org/10.1166/asl.2016.6913" target="_blank" >http://dx.doi.org/10.1166/asl.2016.6913</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1166/asl.2016.6913" target="_blank" >10.1166/asl.2016.6913</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Influence of Temperature and pH on the Properties of Polymeric Drug Carriers: A Molecular Modeling Study

Popis výsledku v původním jazyce

Classical molecular dynamics was used for the characterization of two biodegradable polymers (chitosan and polyethylene glycol) serving as a carriers of a non-steroidal anti-inflammatory drug Ibuprofen. An attention was paid to the behavior of polymer/ibuprofen systems in aqueous solutions under various conditions. Temperatures simulating normal (309 K) and elevated (313 K) temperature of human body and pH values corresponding to biological (pH = 7) and gastric fluids (pH = 1) were used in the models. Polymer/ibuprofen systems were characterized by four parameters: non-bond interaction energy, volume fraction, amount of pervaded water and mutual distances between drug molecules and polymeric chains. Molecular modeling revealed different behavior of chitosan and polyethylene glycol carriers of ibuprofen in aqueous solution in dependence on temperature and pH.

Název v anglickém jazyce

Influence of Temperature and pH on the Properties of Polymeric Drug Carriers: A Molecular Modeling Study

Popis výsledku anglicky

Classical molecular dynamics was used for the characterization of two biodegradable polymers (chitosan and polyethylene glycol) serving as a carriers of a non-steroidal anti-inflammatory drug Ibuprofen. An attention was paid to the behavior of polymer/ibuprofen systems in aqueous solutions under various conditions. Temperatures simulating normal (309 K) and elevated (313 K) temperature of human body and pH values corresponding to biological (pH = 7) and gastric fluids (pH = 1) were used in the models. Polymer/ibuprofen systems were characterized by four parameters: non-bond interaction energy, volume fraction, amount of pervaded water and mutual distances between drug molecules and polymeric chains. Molecular modeling revealed different behavior of chitosan and polyethylene glycol carriers of ibuprofen in aqueous solution in dependence on temperature and pH.

Druh

D - Stať ve sborníku

CEP obor

CD - Makromolekulární chemie

OECD FORD obor

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Projekt

<a href="/cs/project/ED1.1.00%2F02.0070" target="_blank" >ED1.1.00/02.0070: Centrum excelence IT4Innovations</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2016

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název statě ve sborníku

Advanced Science Letters : 4th Biennial Nanomaterials and Nanotechnology International Conference : proceedings : May 18-21, 2015, Ostrava, Czech Republic

ISBN

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ISSN

1936-6612

e-ISSN

—

Počet stran výsledku

6

Strana od-do

625-630

Název nakladatele

American Scientific Publishers

Místo vydání

Valencia

Místo konání akce

Ostrava

Datum konání akce

18. 5. 2015

Typ akce podle státní příslušnosti

WRD - Celosvětová akce

Kód UT WoS článku

000381233100006