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Molecular dynamics simulation of palm-based nano-emulsion system

Nano-emulsions of oleyl oleate posses the potential to act as penetration enhancers in pharmaceutical applications. However, information on the phase behavior of oleyl oleate nano-emulsions which obtained through laboratory experiments was insufficient to describe the structural mechanism of the sel...

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محفوظ في:
التفاصيل البيبلوغرافية
المؤلفون الرئيسيون: Abdul Rahman, Mohd Basyaruddin, Mohd Latif, Muhammad Alif, Basri, Mahiran, Salleh, Abu Bakar, Raja Abdul Rahman, Raja Noor Zaliha
التنسيق: Conference or Workshop Item
اللغة:English
منشور في: 2008
الوصول للمادة أونلاين:http://psasir.upm.edu.my/id/eprint/8871/1/Molecular%20dynamics%20simulation%20of%20palm-based%20nano-emulsion%20system.pdf
http://psasir.upm.edu.my/id/eprint/8871/
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id my.upm.eprints.8871
record_format eprints
spelling my.upm.eprints.88712016-09-02T04:19:24Z http://psasir.upm.edu.my/id/eprint/8871/ Molecular dynamics simulation of palm-based nano-emulsion system Abdul Rahman, Mohd Basyaruddin Mohd Latif, Muhammad Alif Basri, Mahiran Salleh, Abu Bakar Raja Abdul Rahman, Raja Noor Zaliha Nano-emulsions of oleyl oleate posses the potential to act as penetration enhancers in pharmaceutical applications. However, information on the phase behavior of oleyl oleate nano-emulsions which obtained through laboratory experiments was insufficient to describe the structural mechanism of the self-assembled system. In this research, the structural and dynamical properties of the palm-based nano-emulsions to act as penetration enhancer were studied by computer simulations. The structural and dynamical information of the nano-emulsions were obtained using molecular dynamics (MD) simulation method. The nano-emulsions system comprised of oleyl oleate (oil) with Span20 and Tween80 as the non-ionic surfactants was simulated in the presence of water molecules (oil-in-water system). The effect of lipid composition in the nano-emulsions system was determined by 5 series of MD simulations up to 2.5 ns. The simulation results showed that different shapes of the nano-emulsions were formed as the composition of oil was increased. The critical micelle concentration was found at 20% – 30% of lipid composition while the higher concentrations lead to the formation of lamellar system. Larger system with random initial configuration was used to simulate the self-assembly characteristics of the nano-emulsions system. The aggregation and disaggregation of the oil and surfactant molecules were observed throughout the simulation. 2008-06-24 Conference or Workshop Item PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/8871/1/Molecular%20dynamics%20simulation%20of%20palm-based%20nano-emulsion%20system.pdf Abdul Rahman, Mohd Basyaruddin and Mohd Latif, Muhammad Alif and Basri, Mahiran and Salleh, Abu Bakar and Raja Abdul Rahman, Raja Noor Zaliha (2008) Molecular dynamics simulation of palm-based nano-emulsion system. In: 9th WSEAS International Conference on Mathematics & Computers in Biology & Chemistry (MCBC '08), 24-26 June 2008, Bucharest, Romania. (pp. 112-117).
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 Nano-emulsions of oleyl oleate posses the potential to act as penetration enhancers in pharmaceutical applications. However, information on the phase behavior of oleyl oleate nano-emulsions which obtained through laboratory experiments was insufficient to describe the structural mechanism of the self-assembled system. In this research, the structural and dynamical properties of the palm-based nano-emulsions to act as penetration enhancer were studied by computer simulations. The structural and dynamical information of the nano-emulsions were obtained using molecular dynamics (MD) simulation method. The nano-emulsions system comprised of oleyl oleate (oil) with Span20 and Tween80 as the non-ionic surfactants was simulated in the presence of water molecules (oil-in-water system). The effect of lipid composition in the nano-emulsions system was determined by 5 series of MD simulations up to 2.5 ns. The simulation results showed that different shapes of the nano-emulsions were formed as the composition of oil was increased. The critical micelle concentration was found at 20% – 30% of lipid composition while the higher concentrations lead to the formation of lamellar system. Larger system with random initial configuration was used to simulate the self-assembly characteristics of the nano-emulsions system. The aggregation and disaggregation of the oil and surfactant molecules were observed throughout the simulation.
format Conference or Workshop Item
author Abdul Rahman, Mohd Basyaruddin
Mohd Latif, Muhammad Alif
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
spellingShingle Abdul Rahman, Mohd Basyaruddin
Mohd Latif, Muhammad Alif
Basri, Mahiran
Salleh, Abu Bakar
Raja Abdul Rahman, Raja Noor Zaliha
Molecular dynamics simulation of palm-based nano-emulsion system
author_facet Abdul Rahman, Mohd Basyaruddin
Mohd 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 palm-based nano-emulsion system
title_short Molecular dynamics simulation of palm-based nano-emulsion system
title_full Molecular dynamics simulation of palm-based nano-emulsion system
title_fullStr Molecular dynamics simulation of palm-based nano-emulsion system
title_full_unstemmed Molecular dynamics simulation of palm-based nano-emulsion system
title_sort molecular dynamics simulation of palm-based nano-emulsion system
publishDate 2008
url http://psasir.upm.edu.my/id/eprint/8871/1/Molecular%20dynamics%20simulation%20of%20palm-based%20nano-emulsion%20system.pdf
http://psasir.upm.edu.my/id/eprint/8871/
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score 13.251813

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