Structural properties of nonionic Tween80 micelle in water elucidated by molecular dynamics simulation.
Chemical penetration enhancers such as micelles can be formed from the solubilisation of the nonionic surfactants in the nanoemulsion system which may then provide an effective solution to the problems associated with drug delivery systems. The structural properties of micelles comprising 5, 20, and...
| Main Authors: | , , , |
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| Format: | Conference or Workshop Item |
| Language: | English English |
| Published: |
2012
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| Online Access: | http://psasir.upm.edu.my/id/eprint/31948/1/31948.pdf |
| _version_ | 1825947996704997376 |
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| author | Karjiban, Roghayeh Abedi Basri, Mahiran Abdul Rahman, Mohd Basyaruddin Salleh, Abu Bakar |
| author_facet | Karjiban, Roghayeh Abedi Basri, Mahiran Abdul Rahman, Mohd Basyaruddin Salleh, Abu Bakar |
| author_sort | Karjiban, Roghayeh Abedi |
| collection | UPM |
| description | Chemical penetration enhancers such as micelles can be formed from the solubilisation of the nonionic surfactants in the nanoemulsion system which may then provide an effective solution to the problems associated with drug delivery systems. The structural properties of micelles comprising 5, 20, and 30 molecules of the nonionic surfactant Tween80 were investigated by all-atom level molecular dynamics simulation in explicit water system. The micelles with higher aggregation numbers showed a prolate shape, with the surface being dominated by the polar hydrophilic moieties of
surfactant molecules. The average radius of gyration was between 1.1-4.9 nm while the effective radius, determined from
the radius of gyration was between 1.4-3.2 nm. The estimated structural properties of the micelles formed may give us a
more detail insight in understanding the complexity of these classes of nonionic surfactants. |
| first_indexed | 2024-03-06T08:21:56Z |
| format | Conference or Workshop Item |
| id | upm.eprints-31948 |
| institution | Universiti Putra Malaysia |
| language | English English |
| last_indexed | 2024-03-06T08:21:56Z |
| publishDate | 2012 |
| record_format | dspace |
| spelling | upm.eprints-319482014-09-03T01:44:45Z http://psasir.upm.edu.my/id/eprint/31948/ Structural properties of nonionic Tween80 micelle in water elucidated by molecular dynamics simulation. Karjiban, Roghayeh Abedi Basri, Mahiran Abdul Rahman, Mohd Basyaruddin Salleh, Abu Bakar Chemical penetration enhancers such as micelles can be formed from the solubilisation of the nonionic surfactants in the nanoemulsion system which may then provide an effective solution to the problems associated with drug delivery systems. The structural properties of micelles comprising 5, 20, and 30 molecules of the nonionic surfactant Tween80 were investigated by all-atom level molecular dynamics simulation in explicit water system. The micelles with higher aggregation numbers showed a prolate shape, with the surface being dominated by the polar hydrophilic moieties of surfactant molecules. The average radius of gyration was between 1.1-4.9 nm while the effective radius, determined from the radius of gyration was between 1.4-3.2 nm. The estimated structural properties of the micelles formed may give us a more detail insight in understanding the complexity of these classes of nonionic surfactants. 2012 Conference or Workshop Item PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/31948/1/31948.pdf Karjiban, Roghayeh Abedi and Basri, Mahiran and Abdul Rahman, Mohd Basyaruddin and Salleh, Abu Bakar (2012) Structural properties of nonionic Tween80 micelle in water elucidated by molecular dynamics simulation. In: 2nd International Conference on Chemistry and Chemical Process (ICCCP 2012), 5-6 May 2012, Hotel Concorde, Kuala Lumpur. (pp. 287-297). 10.1016/j.apcbee.2012.06.084 English |
| spellingShingle | Karjiban, Roghayeh Abedi Basri, Mahiran Abdul Rahman, Mohd Basyaruddin Salleh, Abu Bakar Structural properties of nonionic Tween80 micelle in water elucidated by molecular dynamics simulation. |
| title | Structural properties of nonionic Tween80 micelle in water
elucidated by molecular dynamics simulation. |
| title_full | Structural properties of nonionic Tween80 micelle in water
elucidated by molecular dynamics simulation. |
| title_fullStr | Structural properties of nonionic Tween80 micelle in water
elucidated by molecular dynamics simulation. |
| title_full_unstemmed | Structural properties of nonionic Tween80 micelle in water
elucidated by molecular dynamics simulation. |
| title_short | Structural properties of nonionic Tween80 micelle in water
elucidated by molecular dynamics simulation. |
| title_sort | structural properties of nonionic tween80 micelle in water elucidated by molecular dynamics simulation |
| url | http://psasir.upm.edu.my/id/eprint/31948/1/31948.pdf |
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