(187a) Modeling Rosette Nanotubes for Applications in Water Filtration, Biosensing and Drug Delivery
AIChE Annual Meeting
2019
2019 AIChE Annual Meeting
Topical Conference: Next-Gen Manufacturing
Poster Session: Next-Gen Manufacturing
Monday, November 11, 2019 - 3:30pm to 5:00pm
Rosette nanotubes (RNTs) are biocompatible supramolecular nanostructures that are formed via self-assembly of building blocks of Watson-Crick DNA-inspired guanine-cytosine (G∧C) motifs. Similar to the double helix of DNA, hydrogen bonding between the individual motifs lead them to assemble into rings, called rosettes.1,2 A combination of π-π interactions between the rings and hydrophobic effects lead the rosettes to self-assemble into nanotubes, where the rings either stack or assemble into helical coils. Because of its biocompatibility, RNTs have attracted attention for drug delivery and biological applications, such as encapsulating dexamethasone to enhance cell growth in bones.3 RNTs can also have potential applications in nanopore-based sensors and water filtration membranes. Here we report on our current studies that involve (1) modeling the interactions of RNTs with cyclodextrins and water, and (2) developing a Martini-based4 coarse-grained model for the RNTs.
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