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...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2009
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| Online Access: | http://psasir.upm.edu.my/id/eprint/16656/ http://psasir.upm.edu.my/id/eprint/16656/1/Self.pdf |
| _version_ | 1848843022190510080 |
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| author | Abdul Rahman, Mohd Basyaruddin Huan, Qiu Yi Tejo, Bimo Ario Basri, Mahiran Salleh, Abu Bakar Raja Abdul Rahman, Raja Noor Zaliha |
| 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 |
| building | UPM Institutional Repository |
| collection | Online Access |
| 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. |
| first_indexed | 2025-11-15T08:08:25Z |
| format | Article |
| id | upm-16656 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T08:08:25Z |
| publishDate | 2009 |
| publisher | Elsevier |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-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 |
| 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 |
| title | 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_short | 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 |
| url | http://psasir.upm.edu.my/id/eprint/16656/ http://psasir.upm.edu.my/id/eprint/16656/ http://psasir.upm.edu.my/id/eprint/16656/1/Self.pdf |