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Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study

Palm-oil esters (POEs) are unsaturated and non-ionic esters that can be prepared by enzymatic synthesis from palm oil. Their nano-emulsion properties possess great potential to act as drug carrier for transdermal drug delivery system. A ratio of 75:5:20 (water/POEs/Span20) was chosen from homogenous...

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Main Authors: Abdul Rahman, Mohd Basyaruddin, Huan, Qiu Yi, Tejo, Bimo Ario, Basri, Mahiran, Salleh, Abu Bakar, Raja Abdul Rahman, Raja Noor Zaliha
Format: Article
Language:English
Published: Elsevier 2009
Online Access:http://psasir.upm.edu.my/id/eprint/16656/1/Self.pdf
http://psasir.upm.edu.my/id/eprint/16656/
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spelling my.upm.eprints.166562016-09-02T04:35:04Z http://psasir.upm.edu.my/id/eprint/16656/ Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study Abdul Rahman, Mohd Basyaruddin Huan, Qiu Yi Tejo, Bimo Ario Basri, Mahiran Salleh, Abu Bakar Raja Abdul Rahman, Raja Noor Zaliha Palm-oil esters (POEs) are unsaturated and non-ionic esters that can be prepared by enzymatic synthesis from palm oil. Their nano-emulsion properties possess great potential to act as drug carrier for transdermal drug delivery system. A ratio of 75:5:20 (water/POEs/Span20) was chosen from homogenous region in the phase diagram of our previous experimental work to undergo molecular dynamics simulation. A 15 ns molecular dynamics simulation of nano-emulsion system (water/POEs/Span20) was carried out using OPLS-AA force field. The aggregations of the oil and surfactant molecules are observed throughout the simulation. After 8 ns of simulation, the molecules start to aggregate to form one spherical micelle where the POEs molecules are surrounded by the non-ionic surfactant (Span20) molecules with an average size of 4.2 ± 0.05 nm. The size of the micelle and the ability of palm-based nano-emulsion to self-assemble suggest that this nano-emulsion can potentially use in transdermal drug delivery system. Elsevier 2009-10-08 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/16656/1/Self.pdf Abdul Rahman, Mohd Basyaruddin and Huan, Qiu Yi and Tejo, Bimo Ario and Basri, Mahiran and Salleh, Abu Bakar and Raja Abdul Rahman, Raja Noor Zaliha (2009) Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study. Chemical Physics Letters, 480 (4-6). pp. 220-224. ISSN 0009-2614 10.1016/j.cplett.2009.08.073
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 Palm-oil esters (POEs) are unsaturated and non-ionic esters that can be prepared by enzymatic synthesis from palm oil. Their nano-emulsion properties possess great potential to act as drug carrier for transdermal drug delivery system. A ratio of 75:5:20 (water/POEs/Span20) was chosen from homogenous region in the phase diagram of our previous experimental work to undergo molecular dynamics simulation. A 15 ns molecular dynamics simulation of nano-emulsion system (water/POEs/Span20) was carried out using OPLS-AA force field. The aggregations of the oil and surfactant molecules are observed throughout the simulation. After 8 ns of simulation, the molecules start to aggregate to form one spherical micelle where the POEs molecules are surrounded by the non-ionic surfactant (Span20) molecules with an average size of 4.2 ± 0.05 nm. The size of the micelle and the ability of palm-based nano-emulsion to self-assemble suggest that this nano-emulsion can potentially use in transdermal drug delivery system.
format Article
author Abdul Rahman, Mohd Basyaruddin
Huan, Qiu Yi
Tejo, Bimo Ario
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
spellingShingle Abdul Rahman, Mohd Basyaruddin
Huan, Qiu Yi
Tejo, Bimo Ario
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study
author_facet Abdul Rahman, Mohd Basyaruddin
Huan, Qiu Yi
Tejo, Bimo Ario
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
author_sort Abdul Rahman, Mohd Basyaruddin
title Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study
title_short Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study
title_full Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study
title_fullStr Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study
title_full_unstemmed Self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study
title_sort self-assembly formation of palm-based esters nano-emulsion: a molecular dynamics study
publisher Elsevier
publishDate 2009
url http://psasir.upm.edu.my/id/eprint/16656/1/Self.pdf
http://psasir.upm.edu.my/id/eprint/16656/
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score 13.211869

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