Directing nanoscale assembly of peptide-containing multiblock polymers

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In this project funded by the Macromolecular, Supramolecular and Nanochemistry Program of the Chemistry Division, Professors Kristi Kiick, Xinqiao Jia, and Christopher Roberts of the University of Delaware will employ a combination of computational, synthetic, and advanced characterization methods to elucidate the molecular design rules for the assembly of peptide-polymer nanostructures. Coarse-grained computational models will be used to reveal the molecular details of the association behavior of various structurally relevant peptides, both alone and in the context of hydrophilic polymer domains of various lengths. Molecules that are indicated to adopt diverse nanostructured assemblies will be synthesized. A combination of spectrophotometric, calorimetric, scattering, and microscopy methods will be used to characterize assembly and aggregation, with correlation to the molecular details of the peptide association. This research will provide new synthetic pathways to access these novel macromolecular structures and will establish the rules that govern assembly on the basis of multiple and controllable stimuli. The broader impacts involve broad, multidisciplinary training of graduate and undergraduate students, participation in the University of Delaware College of Engineering K-12 Outreach Program (including the creation of new activities within this infrastructure), and the potential societal benefits of a fundamental understanding of the assembly of polymer-peptide conjugates.Peptides are chains of chemically linked amino acids and are the components of proteins. This work will expand the repertoire of chemistry that can be used to create new large molecules that mimic natural biomaterials and will lead to a better understanding of how peptides aggregate into larger structures. Such aggregation phenomena are linked to the inactivation of biopharmaceuticals and the progression of neurodegenerative diseases. This research could have long term applications in medicine, pharmaceutical processing, and nanotechnology.