The packing parameter of bare surfactant does not necessarily indicate morphological changes

Mochizuki, Kenji

doi:10.1016/j.jcis.2022.10.163

Cited by 6 publications

(3 citation statements)

References 30 publications

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“…Nevertheless, the CPP values for the trans and cis states are very close at low proportions and cannot be the only driving factor for the structural reorientation. Similar conclusions were drawn in recent molecular dynamic studies, where they revealed a lamellar-to-hexagonal transition on changes in temperature but with neglectable changes in the CPP value (Mochizuki, 2023).…”

Section: Resultssupporting

confidence: 89%

Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles

Hövelmann,

Dieball,

Kuhn

et al. 2024

IUCrJ

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The functionality and efficiency of proteins within a biological membrane are highly dependent on both the membrane lipid composition and the physiochemical properties of the solution. Lipid mesophases are directly influenced by changes in temperature, pH, water content or due to individual properties of single lipids such as photoswitchability. In this work, we were able to induce light- and temperature-driven mesophase transitions in a model membrane system containing a mixture of 1,2-dipalmitoyl-phosphatidylcholine phospholipids and azobenzene amphiphiles. We observed reversible and reproducible transitions between the lamellar and Pn3m cubic phase after illuminating the sample for 5 min with light of 365 and 455 nm wavelengths, respectively, to switch between the cis and trans states of the azobenzene N=N double bond. These light-controlled mesophase transitions were found for mixed complexes with up to 20% content of the photosensitive molecule and at temperatures below the gel-to-liquid crystalline phase transition temperature of 33°C. Our results demonstrate the potential to design bespoke model systems to study the response of membrane lipids and proteins upon changes in mesophase without altering the environment and thus provide a possible basis for drug delivery systems.

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Section: Resultssupporting

confidence: 89%

Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles

Hövelmann,

Dieball,

Kuhn

et al. 2024

IUCrJ

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show abstract

“…S2, ESI †). Long-chain amphiphiles analogous to HAA can experience thermally-activated dehydration of the head group, 94,95 which implies an increase in the packing parameter and, therefore, a topological driving force from a cone-shaped organization to a truncated cone-shaped or cylindrical-shaped organization (i.e., decrease in the curvature of the molecular alignment). A small curvature indicates a larger self-assembly size as observed in the DLS studies and a thermal transition at 68.2 1C may be explained by such a thermotropic transition.…”

Section: The Effect Of Temperature On the Viscous Response Of The Bin...mentioning

confidence: 99%

pH- and temperature-responsive supramolecular assemblies with highly adjustable viscoelasticity: a multi-stimuli binary system

Lin,

Liu,

Bhat

et al. 2023

Soft Matter

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“…The stability, dynamics, and rheology of such solutions are substantially impacted by their structural diversity. These products are extensively used in a wide range of commercial and consumer applications, including drug delivery, food additives, personal care products, detergents, foaming and lubricating agents, and others. − Many variables, including concentration, temperature, molecule shape, and solvent characteristics like salt concentration, type, pH, and others, affect how these structures self-assemble. ,− Controlling the stability and rheology of polymer–surfactant compositions requires an understanding of the physics of these solutions. This includes examining the impact of these parameters on morphology and thermodynamics.…”

Section: Introductionmentioning

confidence: 99%

Molecular Insights on Morphology, Composition, and Stability of Mixed Micelles Formed by Ionic Surfactant and Nonionic Block Copolymer in Water Using Coarse-Grained Molecular Dynamics Simulations

Bhendale

Singh

2023

Langmuir

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The nanoscale association domains are the ultimate determinants of the macroscopic properties of complex fluids involving amphiphilic polymers and surfactants, and hence, it is foremost important to understand the role of polymer/surfactant concentration on these domains. We have used coarse-grained molecular dynamics simulations to investigate the effect of polymer/surfactant concentration on the morphology of poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO, i.e., pluronics or poloxamers) block copolymer, and ionic surfactants sodium dodecyl sulfate (SDS), mixed micelles in aqueous solution. The proclivity of the surfactant to form the mixed micelles is also probed using umbrella sampling simulations. In this study, we observed that the core of the pluronic + SDS formed mixed micelles consists of PPO, the alkyl tail of SDS, and some water molecules, whereas the PEO, water, and sulfate headgroups of SDS form a shell, consistent with experimental observations. The micelles are spherical at high-pluronic/low-SDS compositions, ellipsoidal at high-SDS/low-pluronic compositions, and wormlike-cylindrical at high-pluronic/high-SDS compositions. The transitions in micelle morphology are governed by the solvent accessible surface area of mixed aggregates, electrostatic repulsion between SDS-headgroups, and dehydration of PEO and PPO segments. The free energy barrier for SDS escape is much higher in mixed micelles than in pure SDS micelles, indicating a stronger tendency for SDS to form pluronic-SDS mixed micelles.

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The packing parameter of bare surfactant does not necessarily indicate morphological changes

Cited by 6 publications

References 30 publications

Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles

Photoinduced bidirectional mesophase transition in vesicles containing azobenzene amphiphiles

pH- and temperature-responsive supramolecular assemblies with highly adjustable viscoelasticity: a multi-stimuli binary system

Molecular Insights on Morphology, Composition, and Stability of Mixed Micelles Formed by Ionic Surfactant and Nonionic Block Copolymer in Water Using Coarse-Grained Molecular Dynamics Simulations

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