Molecular dynamics simulation of oleyl oleate swollen micelles system.

Abdul Rahman , Mohd Basyaruddin and Mohammad Latif, Muhammad Alif and Basri, Mahiran and Salleh, Abu Bakar and Raja Abdul Rahman , Raja Noor Zaliha (2010) Molecular dynamics simulation of oleyl oleate swollen micelles system. Molecular Simulation, 36 (5). pp. 403-407. ISSN 0892-7022

Full text not available from this repository.

Abstract

Problems with transdermal drug delivery were directly associated with the skin barrier which is the lipid bilayer at the stratum corneum. Chemical penetration enhancers such as swollen micelles that formed from the solubilisation of the surfactants in the nano-emulsion system could provide an effective solution. However, the structural properties of swollen micelles from nano-emulsions of palm-oil esters, whose behaviour is related to colloidal systems, have not been studied in great detail. In this paper, we report on the use of molecular dynamics (MD) simulations to investigate the structural properties of swollen micelles of oleyl oleate (OE). Five series of 10 ns MD simulations were performed at different micelle compositions to determine the structural evolution of OE/Span20 (S20) swollen micelles. We also carried out four MD simulations on the structure of S20, OE/S20, Tween80 (T80) and OE/T80 micelles to study the effect of different surfactants and the addition of OE into the systems. The shapes of the swollen micelles were observed to vary by the difference in the micelle composition, the surfactants used and the addition of OE. The results were correlated with published theory, and consistent with experimental results on the phase behaviour of the nano-emulsion system.

Item Type:Article
Keyword:Molecular dynamics; Oleyl oleate; Swollen micelle; Nano-emulsions.
Subject:Molecular dynamics.
Subject:Molecular theory.
Faculty or Institute:Faculty of Biotechnology and Biomolecular Sciences
Publisher:Taylor & Francis
DOI Number:DOI:10.1080/08927020903544535
Altmetrics:http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.1080/08927020903544535
ID Code:15705
Deposited By: Nida Hidayati Ghazali
Deposited On:01 Aug 2012 01:19
Last Modified:01 Aug 2012 01:19

Repository Staff Only: item control page

Document Download Statistics

This item has been downloaded for since 01 Aug 2012 01:19.

View statistics for "Molecular dynamics simulation of oleyl oleate swollen micelles system."


Universiti Putra Malaysia Institutional Repository

Universiti Putra Malaysia Institutional Repository is an on-line digital archive that serves as a central collection and storage of scientific information and research at the Universiti Putra Malaysia.

Currently, the collections deposited in the IR consists of Master and PhD theses, Master and PhD Project Report, Journal Articles, Journal Bulletins, Conference Papers, UPM News, Newspaper Cuttings, Patents and Inaugural Lectures.

As the policy of the university does not permit users to view thesis in full text, access is only given to the first 24 pages only.