Microemulsions as Drug Delivery Systems

Alany, Raid G.; Wen, Jingyuan

doi:10.1002/9780470571224.pse359

Cited by 5 publications

(4 citation statements)

References 113 publications

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“…Recently, there have been several studies showing the potential of exploiting the collapse of a monolayer at a liquid–liquid interface to make nanoparticles for various practical applications, − including microemulsions for drug delivery systems or for enhanced oil recovery applications. , It is important therefore, to have a good understanding of the mechanism of monolayer collapse at a liquid–liquid interface, as well as the effect the surfactant molecular structure may have on this mechanism. While simulations have been used extensively to study monolayer collapse at an air–water interface, − there are relatively few simulation studies investigating monolayer collapse at a liquid–liquid interface. , Therefore, we decided to further investigate the collapse of the ABS surfactant monolayers at the decane–water interface.…”

Section: Resultsmentioning

confidence: 99%

“…Surfactants can also self-assemble into various 3D structures, and solubilize substances that are typically nonsoluble in a solvent via the formation of emulsions and microemulsions. Due to their unique ability to change the interfacial properties and encapsulate material, surfactants are widely used in numerous industrial applications, ranging from detergents, food, pharmaceuticals, and enhanced oil recovery. − …”

Section: Introductionmentioning

confidence: 99%

“…The stability of surfactant monolayers adsorbed at an air–water interface as they undergo a reduction in the area per molecule via a lateral compression has also been well-studied. − Upon compression, the monolayers can undergo a 2D phase transition, as well as a collapse transition into various 3D structures. − At high surface coverage, the interfacial tension is very low or even negative, and the interface becomes unstable and can undergo mechanical buckling to increase the interfacial area. Surfactants can also leave the interface and form stable self-assembled 3D structures such as micelles, vesicles, and bilayers. , At a liquid–liquid interface, such monolayer collapse can be exploited to make nanoparticles for various practical applications, − for example, to produce microemulsions as drug delivery systems, or for applications in enhanced oil recovery. , However, the stability of monolayers at the liquid–liquid interface is much less studied compared to those at an air–water interface. Thus, there is a need to better understand the behavior of monolayers, including the role of molecular structure on the mechanism of monolayer collapse, at a liquid–liquid interface.…”

Section: Introductionmentioning

confidence: 99%

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Interfacial Properties and Monolayer Collapse of Alkyl Benzenesulfonate Surfactant Monolayers at the Decane–Water Interface from Molecular Dynamics Simulations

et al. 2017

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The molecular structure of a surfactant molecule is known to have a great effect on the interfacial properties and the type of nanostructures formed. In this work, we have performed molecular dynamics simulations on six isomers of an alkyl benzenesulfonate surfactant to investigate the effect of the degree and position of aromatic substitution on the interfacial properties and on the collapse of the surfactant monolayer at a decane-water interface. The surface pressure of the monolayers was shown to increase with increasing surface coverage, until some of the monolayers become mechanically unstable and form large undulations. Shifting the primary alkyl chain of the surfactant from the para to the meta position was found to significantly affect the orientation of the surfactant head groups, while the attachment position of the benzene ring along the primary alkyl chain plays a greater role in the orientation of the surfactant tails. In general, to the extent considered in this work, our results suggest that additional alkyl substitution and meta substitution of the primary alkyl chains increase both the effectiveness and efficiency of the surfactants, and accelerate the onset of monolayer collapse. The interface was found to consist of an inner Helmholtz layer of partially dehydrated counterions in contact with the surfactant head groups, an outer Helmholtz layer of hydrated counterions, and a diffuse layer. The di- and trisubstituted surfactants formed nearly spherical swollen micelles encapsulating pure decane, which effectively solubilizes decane in water as a microemulsion. The monosubstituted surfactants formed elongated buds that protrude from the interface, but did not detach from the monolayer. To our knowledge, the role of aromatic substitution on interfacial properties has not been investigated by molecular simulations previously. The results from this work could provide insights to design improved surfactants by exploiting aromatic substitution to encapsulate material for drug delivery and other applications.

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Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Interfacial Properties and Monolayer Collapse of Alkyl Benzenesulfonate Surfactant Monolayers at the Decane–Water Interface from Molecular Dynamics Simulations

et al. 2017

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“…The formation of microemulsions is where the droplets or micelles would form spontaneously upon emulsification and remain thermodynamically stable [ 36 ]. It is to seek the energy balance for the entropic effect of due to the stabilization of oil-water surfaces [ 31 ].…”

Section: Resultsmentioning

confidence: 99%

Molecular Dynamics Simulation of Nanocellulose-Stabilized Pickering Emulsions

et al. 2021

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While the economy is rapidly expanding in most emerging countries, issues coupled with a higher population has created foreseeable tension among food, water, and energy. It is crucial for more sustainable valorization of resources, for instance, nanocellulose, to address the core challenges in environmental sustainability. As the complexity of the system evolved, the timescale of project development has increased exponentially. However, research on the design and operation of integrated nanomaterials, along with energy supply, monitoring, and control infrastructure, has seriously lagged. The development cost of new materials can be significantly reduced by utilizing molecular simulation technology in the design of nanostructured materials. To realize its potential, nanocellulose, an amphiphilic biopolymer with the presence of rich -OH and -CH structural groups, was investigated via molecular dynamics simulation to reveal its full potential as Pickering emulsion stabilizer at the molecular level. This work has successfully quantified the Pickering stabilization mechanism profiles by nanocellulose, and the phenomenon could be visualized in three stages, namely the initial homogenous phase, rapid formation of micelles and coalescence, and lastly the thermodynamic equilibrium of the system. It was also observed that the high bead order was always coupled with a high volume of phase separation activities, through a coarse-grained model within 20,000 time steps. The outcome of this work would be helpful to provide an important perspective for the future design and development of nanocellulose-based emulsion products, which cater for food, cosmeceutical, and pharmaceutical industries.

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