Cover Image

Molecular dynamics simulation of oleyl oleate swollen micelles system

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 effect...

Full description

Saved in:
Bibliographic Details
Main Authors: Abdul Rahman, Mohd Basyaruddin, Mohammad Latif, Muhammad Alif, Basri, Mahiran, Salleh, Abu Bakar, Raja Abdul Rahman, Raja Noor Zaliha
Format: Article
Language:English
Published: Taylor & Francis 2010
Online Access:http://psasir.upm.edu.my/id/eprint/15705/1/Molecular%20dynamics%20simulation%20of%20oleyl%20oleate%20swollen%20micelles%20system.pdf
http://psasir.upm.edu.my/id/eprint/15705/
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.upm.eprints.15705
record_format eprints
spelling my.upm.eprints.157052016-09-02T04:28:24Z http://psasir.upm.edu.my/id/eprint/15705/ Molecular dynamics simulation of oleyl oleate swollen micelles system Abdul Rahman, Mohd Basyaruddin Mohammad Latif, Muhammad Alif Basri, Mahiran Salleh, Abu Bakar Raja Abdul Rahman, Raja Noor Zaliha 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. Taylor & Francis 2010 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/15705/1/Molecular%20dynamics%20simulation%20of%20oleyl%20oleate%20swollen%20micelles%20system.pdf 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; ESSN: 1029-0435 10.1080/08927020903544535
institution Universiti Putra Malaysia
building UPM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Putra Malaysia
content_source UPM Institutional Repository
url_provider http://psasir.upm.edu.my/
language English
description 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.
format Article
author Abdul Rahman, Mohd Basyaruddin
Mohammad Latif, Muhammad Alif
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
spellingShingle Abdul Rahman, Mohd Basyaruddin
Mohammad Latif, Muhammad Alif
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
Molecular dynamics simulation of oleyl oleate swollen micelles system
author_facet Abdul Rahman, Mohd Basyaruddin
Mohammad Latif, Muhammad Alif
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
author_sort Abdul Rahman, Mohd Basyaruddin
title Molecular dynamics simulation of oleyl oleate swollen micelles system
title_short Molecular dynamics simulation of oleyl oleate swollen micelles system
title_full Molecular dynamics simulation of oleyl oleate swollen micelles system
title_fullStr Molecular dynamics simulation of oleyl oleate swollen micelles system
title_full_unstemmed Molecular dynamics simulation of oleyl oleate swollen micelles system
title_sort molecular dynamics simulation of oleyl oleate swollen micelles system
publisher Taylor & Francis
publishDate 2010
url http://psasir.upm.edu.my/id/eprint/15705/1/Molecular%20dynamics%20simulation%20of%20oleyl%20oleate%20swollen%20micelles%20system.pdf
http://psasir.upm.edu.my/id/eprint/15705/
_version_ 1643826006008528896
score 13.211869

Similar Items