In this paper, the N-terminus of glycoprotein-41, the HIV-1 fusion peptide, was studied by molecular dynamics simulations in an explicit sodium dodecyl sulfate micelle. The simulation provides a detailed picture of the equilibrium structure and peptide stability as it interacts with the micelle. The equilibrium location of the peptide shows the peptide at the surface of the micelle with hydroph...

PAMAM (polyamidoamine) dendrimers have been recently exploited as efficient and biocompatible unimolecular micelles for oil spill remediation utilizing their robust encapsulation capability. However, experimental evidence suggested that contrasting dispersion mechanisms of PAMAM exist toward different types of hydrocarbon ligands, including linear and polyaromatic oil molecules. Specifically, t...

This article focuses on the molecular modeling of the release of doxorubicin from capsules composed of glucosamine(ethylene glycol) oligomers. Doxorubicin forms micelle structures with glucosamine(ethylene glycol), and the drug release mechanism can be studied through the modeling of oligomeric bond breaking under acidic, neutral, or basic conditions. Under these conditions, the activation ener...

We report the design of a self-assembled aptamer-micelle nanostructure that achieves selective and strong binding of otherwise low-affinity aptamers at physiological conditions. Specific recognition ability is directly built into the nanostructures. The attachment of a lipid tail onto the end of nucleic acid aptamers provides these unique nanostructures with an internalization pathway. Other me...

2014 An improvement over previous determinations of the structure of sodium dodecyl sulfate micelles has been obtained from small angle neutron scattering. The experiment measures the average distribution of distances between all nuclei within a micelle, and also those between deuterium labels attached at positions 03C9 or 03B3 on the SDS chains. At low resolution (15 Å), only the average struc...

A novel type of self-fluorescent unimolecular micelle nanoparticle (NP) formed by multi-arm star amphiphilic block copolymer, Boltron® H40 (H40, a 4th generation hyperbranched polymer)-biodegradable photo-luminescent polymer (BPLP)-poly(ethylene glycol) (PEG) conjugated with cRGD peptide (i.e., H40-BPLP-PEG-cRGD) was designed, synthesized, and characterized. The hydrophobic BPLP segment was sel...

The energetics of phospholipid aggregation depend on the apparent water-accessible apolar surface area (ASAap), ordering effects of the chains, and headgroup interactions. We quantify the enthalpy and entropy of these interactions separately. For that purpose, the thermodynamics of micelle formation of lysophosphatidylcholines (LPCs, chains C10, C12, C14, and C16) and diacylphosphatidylcholines...

Experimental data are presented on the enhanced solubilities of fluorene (FLR) resulting from solubilization in aqueous solutions of two conventional surfactants: cationic cetyltrimethylammonium bromide (CTAB) , anionic sodium dodecyl sulfate (SDS), nonioinic polyethylene glycol dodecyl ether (Brij35) and a cationic gemini bis (hexadecyldimethylammonium) pentane dibromide (G5). The critical mic...

The rapamycin analog, ridaforolimus, has demonstrated potent anti-proliferative effects in cancer treatment, and it currently is being evaluated in a range of clinical cancer studies. Ridaforolimus is an extremely lipophilic compound with limited aqueous solubility, which may benefit from formulation with polymeric micelles. Herein, we report the encapsulation of ridaforolimus in 1,2-distearoyl...

The acid dissociation constants of long-chain esters of carnitine (5-hydroxy-~,trimethylammonium-butyrate) above the critical micelle concentration were determined potentiometrieally at several concentrations of added KC1. As the degree of protonation 5 increases the apparent pK values decrease owing to the increased positive charge on the micelle. The difference in pK between the neutral (zwit...