Molecular conformations in surfactant micelles

Diffusion of Surfactant Micelles

Therapeutic surfactant-stripped frozen micelles

Injectable hydrophobic drugs are typically dissolved in surfactants and non-aqueous solvents which can induce negative side-effects. Alternatives like 'top-down' fine milling of excipient-free injectable drug suspensions are not yet clinically viable and 'bottom-up' self-assembled delivery systems usually substitute one solubilizing excipient for another, bringing new issues to consider. Here, ...

Brownian dynamics of mixed surfactant micelles.

We investigate micelle formation in a system containing two or more different amphiphiles with different geometries using a stochastic molecular-dynamics (MD) simulation method. For a binary system containing two amphiphiles, we calculate the critical micelle concentration (CMC) and cluster distribution for the mixture at several mole fractions and compare the simulation results with those pred...

Sphere-to-rod transitions of nonionic surfactant micelles in aqueous solution modeled by molecular dynamics simulations.

Control of the size and agglomeration of micellar systems is important for pharmaceutical applications such as drug delivery. Although shape-related transitions in surfactant solutions are studied experimentally, their molecular mechanisms are still not well understood. In this study, we use coarse-grained molecular dynamics simulations to describe micellar assemblies of pentaethylene glycol mo...

Molecular conformations in proteoglycan aggregation.

that murein will eventually be discovered to require an apoprotein as the initiator, as is turning out to be the case with a number of, what were for long thought to be, ‘pure’ polysaccharides. Examples are the proteoglycans of connective tissue, and storage polysaccharides such as glycogen. No less exciting have been the developments in understanding the stereochemistry of the proteoglycans, t...