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In vitro and in silico investigations of drug delivery via zeolite BEA

Fatouros, Dimitrios, Douroumis, D, Nikolakis, V, Ntais, S, Moschovi, Anastasia Maria, Trivedi, V, Khima, B, Roldo, Marta, Nazar, Hamde and Cox, Paul (2011) In vitro and in silico investigations of drug delivery via zeolite BEA. Journal of Materials Chemistry (21). pp. 7789-7794. ISSN 0959-9428

Item Type: Article


A combination of experiment and theory has been used to assess the potential use of the zeolite BEA as
a drug delivery agent. Molecular dynamics (MD) has been used to examine the diffusion of two
different drug molecules, salbutamol and theophylline, inside the zeolite BEA. MD shows that the two
molecules display different diffusion behaviour, with the salbutamol molecule able to diffuse more
freely than theophylline within the internal channel system of the zeolite. Several experimental
techniques have been used to investigate the loading and release of the drug molecules from the BEA
host. The results obtained support the observations from the modelling and suggest that modelling has
an important role to play in screening zeolite–drug combinations prior to experimental investigation.

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Depositing User: Hamde Nazar


Item ID: 1010
Identification Number:
ISSN: 0959-9428
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Date Deposited: 24 Jan 2012 17:18
Last Modified: 02 Jul 2019 09:04


Author: Dimitrios Fatouros
Author: D Douroumis
Author: V Nikolakis
Author: S Ntais
Author: Anastasia Maria Moschovi
Author: V Trivedi
Author: B Khima
Author: Marta Roldo
Author: Hamde Nazar
Author: Paul Cox

University Divisions

Faculty of Health Sciences and Wellbeing
Units of Assessment > 32 Art and Design (UoA)


Sciences > Biomedical Sciences
Sciences > Chemistry
Sciences > Pharmacy and Pharmacology

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