Chain architecture and micellization: A mean-field coarse-grained model for poly(ethylene oxide) alkyl ether surfactants

Daza, Fabián A. García; Colville, Alex; Mackie, Allan D.

doi:10.1063/1.4913960

Cited by 10 publications

(8 citation statements)

References 52 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Here, there is a competition between the entropies from the chain conformations and the interaction energies among the chains and water. Such a competition determines the final stable state in the dynamics processes [ 77 , 78 , 79 , 80 ].…”

Section: Results and Discussionmentioning

confidence: 99%

Self-Assembly of Lipid Mixtures in Solutions: Structures, Dynamics Processes and Mechanical Properties

Sun

Pan

2022

Membranes

View full text Add to dashboard Cite

The self-assembly of lipid mixtures in aqueous solution was investigated by dissipative particle dynamics simulation. Two types of lipid molecules were modelled, where three mixed structures, i.e., the membrane, perforated membrane and vesicle, were determined in the self-assembly processes. Phase behaviour was investigated by using the phase diagrams based on the tail chain lengths for the two types of lipids. Several parameters, such as chain number and average radius of gyration, were employed to explore the structural formations of the membrane and perforated membrane in the dynamic processes. Interface tension was used to demonstrate the mechanical properties of the membrane and perforated membrane in the equilibrium state and dynamics processes. Results help us to understand the self-assembly mechanism of the biomolecule mixtures, which has a potential application for designing the lipid molecule-based bio-membranes in solutions.

show abstract

Section: Results and Discussionmentioning

confidence: 99%

Self-Assembly of Lipid Mixtures in Solutions: Structures, Dynamics Processes and Mechanical Properties

Sun

Pan

2022

Membranes

View full text Add to dashboard Cite

show abstract

“…the chemical potential of the amphiphile within the micelles has to be independent of the concentration of the micelles), which is the case of diluted solutions where the interactions between supramolecular aggregates is negligible. Moreover, our analysis neglects the existence of structures with chemical potentials a few k B T above the global minimum, which coexists with that of lowest chemical potential (in the case of micelles, the distribution of sizes is given by the mass action model, which considers the equilibria between micelles of different sizes 25,30,37 ). In other words, in equilibrium, some degree of dispersion in size and even morphology is always expected.…”

Section: Morphology Diagrams Of Triblock Amphiphilesmentioning

confidence: 99%

Self-assembly of model short triblock amphiphiles in dilute solution

et al. 2018

View full text Add to dashboard Cite

In this work, a molecular theory is used to study the self-assembly of short diblock and triblock amphiphiles, with head-tail and head-linker-tail structures, respectively. The theory was used to systematically explore the effects of the molecular architecture and the affinity of the solvent for the linker and tail blocks on the relative stability of the different nanostructures formed by the amphiphiles in dilute solution, which include spherical micelles, cylindrical fibers and planar lamellas. Moreover, the theory predicts that each of these nanostructures can adopt two different types of internal organization: (i) normal nanostructures with a core composed of tail segments and a corona composed of head segments, and (ii) nanostructures with a core formed by linker segments and a corona formed by tail and head segments. The theory predicts the occurrence of a transition from micelle to fiber to lamella when increasing the length of the tail or the linker blocks, which is in qualitative agreement with the geometric packing theory and with experiments in the literature. The theory also predicts a transition from micelle to fiber to lamella as the affinity of the solvent for the tail or linker block is decreased. This result is also in qualitative agreement with experiments in the literature but cannot be explained in terms of the geometric packing theory. The molecular theory provides an explanation for this result in terms of the competition between solvophobic attractions among segments in the core and steric repulsions between segments in the corona for the different types of self-assembled nanostructures.

show abstract

“…Amphiphilic block copolymers can self-assemble to form polymeric micelles (PMs), vesicles, and many other forms of self-assemblies in selective solvents above their critical micelle concentration (cmc) . Such nanostructures can be employed for a variety of applications such as drug delivery, viscosity modifications, catalysis, and toughening of plastics . The size, morphology, stability, and surface chemistry of PMs can be easily adjusted by fine tuning the hydrophilic/hydrophobic ratios and block lengths .…”

Section: Introductionmentioning

confidence: 99%

Think Beyond the Core: Impact of the Hydrophilic Corona on Drug Solubilization Using Polymer Micelles

Haider

Lübtow

Endres

et al. 2020

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Polymeric micelles are typically characterized as core-shell structures. The hydrophobic inner core is considered as depot for hydrophobic molecules such as drugs or catalysts and the corona forming block acts as protective, stabilizing and solubilizing interface between the hydrophobic core and the external aqueous milieu. Tremendous efforts have been made to tune the hydrophobic block to increase the drug loading and stability of the micelles, while the role of hydrophilic blocks regarding drug loading and stability of micelles is rarely studied in detail. To do so, we investigated a small library of structurally similar A-B-A type amphiphiles based on poly(2-oxazoline)s and poly(2oxazine)s by varying the hydrophilic block A utilizing poly(2-methyl-2-oxazoline) (A) or poly(2-ethyl-2-oxazoline) (A*), both excellently water-soluble polymers that are able to provide beneficial stealth properties. Surprisingly, major differences in loading capacities from A-B-A > A*-B-A > A*-B-A* highlight the impact of the hydrophilic corona of the polymer micelles on drug loading and stability.1 H-NMR spectroscopy revealed that the hydrophilic pEtOx exhibits a stronger interaction with the cargo compared with its more hydrophilic counterpart pMeOx, reducing colloidal stability of the drug loaded micelles at lower drug loading. To gain more insights, formulations were also characterized by diffusion ordered and nuclear Overhauser effect NMR spectroscopy, dynamic light scattering and (micro) differential scanning calorimetry. Our findings suggest that the interaction between the hydrophilic block and the guest molecule should be considered an important but previously largely ignored factor for the rational design of polymeric micelles.

show abstract

Chain architecture and micellization: A mean-field coarse-grained model for poly(ethylene oxide) alkyl ether surfactants

Cited by 10 publications

References 52 publications

Self-Assembly of Lipid Mixtures in Solutions: Structures, Dynamics Processes and Mechanical Properties

Self-Assembly of Lipid Mixtures in Solutions: Structures, Dynamics Processes and Mechanical Properties

Self-assembly of model short triblock amphiphiles in dilute solution

Think Beyond the Core: Impact of the Hydrophilic Corona on Drug Solubilization Using Polymer Micelles

Contact Info

Product

Resources

About