Effect of Block Length and Side Chain Length Ratios on Determining a Multicompartment Micelle Structure

Abstract

Previous work has identified the importance of the lipophilic–fluorophilic block length ratio in predicting the morphology of linear lipophilic–hydrophilic–fluorophilic (hereafter referred to as BAC) micelle systems. Here, a generalized form of this structural parameter is developed that makes no assumption of BAC triblock co-polymer linearity, while still providing accurate predictions of the micelle morphology. The morphologies of BAC micelles formed by triblock co-polymers with or have similar features, with the only notable difference being an inversion of the lipophilic and fluorophilic regions. A destabilization of the single-core micelle structure occurs as approaches unity from either direction. Finally, the extent to which the micelle morphology depends on the polymer architecture instead of the composition alone is examined, with a decreased patchiness observed in BAC systems with very long block lengths. Through the modification of both the -value and the polymer architecture, the micelle morphology can be effectively tuned for use in immobilized catalysis and nanoreactor applications.

Multicore Assemblies from Three-Component Linear Homo-Copolymer Systems: A Coarse-Grained Modeling Study

“…Multicore polymer assemblies, i.e., polymer aggregates consisting of multiple microphase-segregated cores and in the case of micelles, a solvophilic corona, are functional self-assembling materials with important applications in, e.g., water purification, catalysis, pharmacology, electronics, and oil recovery [ 1 , 2 , 3 ]. The high tunability of the chemistry, size, and distribution of the solvophobic cores of the multicore assemblies make them unique nanoscale capsules that can be loaded with chemical reagents or catalysts, making them nanoreactors [ 4 ].…”

“…By varying the model parameters, such as the concentration of the copolymer, the nature of the solvent, and the repulsive interactions between the two coiled side chains and the rigid backbone block, they observed a variety of nanostructures, including interacting micelles, multicore micelles, nanocages, and nano-tires. Callaway et al [ 2 ] studied the self-assembly of a lipophilic−hydrophilic−fluorophilic triblock copolymer system that formed non-spheroidal micelles with multicores of both lipophilic and fluorophilic species.…”

Dissipative Particle Dynamics Aided Design of Drug Delivery Systems: A Review

“…In addition to spherical micelles, a large number of other structures such as columnar micelles, ,, lamellar micelles, ,, vesicle, multichamber structures, and other complex self-assembly topography , have also been successfully characterized. Figure A is the relationship between the typical self-assembled forms of the amphoteric polymer drug carriers .…”

Multiscale Modeling Approach for the Aldol Addition Reaction in Multicompartment Micelle-Based Nanoreactor

“…This arrangement facilitates the reactivity of organic substrates within the aqueous system. As the molecular variables such as block sequence, block ratio, and catalyst location of the polymer play a pivotal role in determining the micelle morphology that impacts the catalytic activity, we considered these molecular variables in the design criteria. − Among various types of micelles, we reported that “clover-like” H- L-Proline-F sequenced bottlebrush copolymers, illustrated in Figure a, exhibited the highest yield and selectivity due to the Proline catalyst adjacent to the L domain within the micelle. However, it should be noted that the underlying mechanism for such enhancement remains unclear as cryogenic transmission electron microscopy (cryo-TEM) images cannot provide detailed information about the local microstructures surrounding the catalyst.…”