The wonderful world of micelles

Русанов, А. И.

doi:10.1134/s1061933x14020070

Cited by 17 publications

(16 citation statements)

References 24 publications

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“…Furthermore, several thermodynamic and transport properties of surfactant solutions are affected by the size and shape of micelles (Iyer and Blankschtein, 2012). For example, the solubility of micelles increase with their size (Rusanov, 2014), and micelle shape transitions significantly affect the viscosity of the solution (Kamranfar and Jamialahmadi, 2014). All these facts contribute to the development of models that can predict the behavior of surfactant solutions and also can be used as a tool for designing new surfactants.…”

Section: Introductionmentioning

confidence: 99%

Molecular Thermodynamics of Micellization: Micelle Size Distributions and Geometry Transitions

Santos

Tavares

Biscaia

2016

Braz. J. Chem. Eng.

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-Surfactants are amphiphilic molecules that can spontaneously self-assemble in solution, forming structures known as micelles. Variations in temperature, pH, and electrolyte concentration imply changes in the interactions between surfactants and micelle stability conditions, including micelle size distribution and micelle shape. Here, molecular thermodynamics is used to describe and predict conditions of micelle formation in surfactant solutions by directly calculating the minimum Gibbs free energy of the system, corresponding to the most stable condition of the surfactant solution. In order to find it, the proposed methodology takes into account the micelle size distribution and two possible geometries (spherical and spherocylindrical). We propose a numerical optimization methodology where the minimum free energy can be reached faster and in a more reliable way. The proposed models predict the critical micelle concentration well when compared to experimental data, and also predict the effect of salt on micelle geometry transitions.

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Section: Introductionmentioning

confidence: 99%

Molecular Thermodynamics of Micellization: Micelle Size Distributions and Geometry Transitions

Santos

Tavares

Biscaia

2016

Braz. J. Chem. Eng.

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“…Micelles were initially proposed to explain the action of soaps and detergents, and were apparently based on earlier ideas on colloidal suspensions [11,14]. Thus, micelles were an important addition to the middle ground between monophasic and biphasic systems, which apparently paved the way for the modern era of nanoscience.…”

Section: The Nature Of the Micellar Phasementioning

confidence: 99%

The Hydrophobic Effect in Chemistry, Biology and Medicine: An Update

Chandrasekhar

2021

AJOCS

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The roots of the hydrophobic effect (HE) apparently lie in certain chemical principles, although it has far-reaching implications across a swath of chemical biology. In particular, the HE drives the formation of micelles, the catalytic properties of which are believed to model the action of enzymes. The HE is also believed to be the key to drug-receptor interactions as captured in the Hansch equation and enshrined in QSAR. Yet, the HE remains paradoxical: The attributed medium effects apparently contravene normal experience, as apolar solvents are rarely (if ever) the preferred choice in practice! Indeed, the HE is complex and varied in its manifestations, affecting both structure and reactivity. The latter “kinetic hydrophobic effect” itself exists as “Types 1 and 2”, referring to reactions in water (e.g., Diels Alder) and non-aqueous media (e.g., micelles) respectively. Micellar reactivity also remains mysterious as, apparently, the HE only facilitates the formation of the micelles. The idea that micellar reactivity arises from concentration effects, in fact, appears simplistic for several reasons. Furthermore, reactions may well occur on the micellar surface, particularly with ionic reagents that would be poorly soluble in the core. There are important differences between micelles and enzymes: Enzymes are pre-configured with catalytic groups and charge-relay systems, although the contribution of the HE to activity remains uncertain. Micelles also form a separate phase, hence defining the thermodynamic ground state of the reactants (contrasting with enzymes). Certain aspects of the Hansch equation, particularly the decline of drug activity beyond the “Goldilocks zone” peak, are intriguing. However, a kinetic model of drug-receptor interactions based on the rates of drug binding and release, offers an explanation for the observations, also leading to further insights into the nature of the binding itself.

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“…One of the earliest and most significant manifestations of the HE is related to the formation of micelles (16,17). The most likely explanation for this is that the perturbation of the structure of water becomes prohibitive beyond the CMC.…”

Section: Micelles and The Significance Of The Critical Concentrationmentioning

confidence: 99%

“…One of the earliest and most significant manifestations of the HE is related to the formation of micelles (16,17). Micelles are generally water-soluble aggregates of long chain hydrocarbon molecules that possess a polar head-group (the solute).…”

Section: Micelles and The Significance Of The Critical Concentrationmentioning

confidence: 99%

Critical Reflections on the Hydrophobic Effect, its Origins and Manifestation: Water Structure, Chemical Reactivity, Micelles and Gels.

Chandrasekhar¹

2017

Journal of the Turkish Chemical Society, Section A: Chemistry

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The origins of the hydrophobic effect (HE), its biological significance and its experimental basis are critically addressed in this brief review. It is argued that the mechanistic work reported on the HE in recent decades needs to be reassessed, as its conclusions are apparently debatable. Essentially, it is highly inaccurate to view the HE as a repulsive interaction, which is rather an attractive one. It appears inevitable that the HE is indeed a manifestation of the perturbation of the structure of water upon the introduction of hydrocarbon molecules into its interior. There appears to be no other satisfactory explanation for the formation of micellar aggregates and the existence of the critical micelle concentration. Also, the practical significance of the HE on the reactivity of organic compounds (e.g. cycloadditions) is severely limited by their minuscule solubility levels, itself a manifestation of the HE! Other related phenomena apparently include the formation of gels and the occurrence of certain esterification reactions in water, which are briefly reviewed from a conceptual viewpoint.

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The wonderful world of micelles

Cited by 17 publications

References 24 publications

Molecular Thermodynamics of Micellization: Micelle Size Distributions and Geometry Transitions

Molecular Thermodynamics of Micellization: Micelle Size Distributions and Geometry Transitions

The Hydrophobic Effect in Chemistry, Biology and Medicine: An Update

Critical Reflections on the Hydrophobic Effect, its Origins and Manifestation: Water Structure, Chemical Reactivity, Micelles and Gels.

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