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Talk: Heteropolymer Design and Synthesis through Practical Prediction of Controlled Radical Polymerizations

Speaker: Stanford-fellow Anton Allen Abbotsford Smith

28.06.2019 | Susan Hjort Skyum

Dato ons 03 jul
Tid 12:00 12:45
Sted 1510-410, Aarhus Universitet, Institut for Kemi, Langelandsgade 140, 8000 Aarhus C

The opportunities for elaborate polymer designs have been expanded, following the advent of controlled radical polymerizations, such as RAFT and ATRP. Yet experimental design of copolymerizations seldom take advantage of reactivity ratios, despite there being an in-depth knowledge of the reaction kinetics involved that would allow prediction of monomer distribution and design of polymer structure. Furthermore, even more elaborate polymer designs are possible by increasing the number of unique monomers in the polymerization. Heteropolymers harbor an infinite number of possible variations in composition and molecular weight, yet this class of materials is largely unexplored. The difficulties in designing and understanding polymerizations with gradients in composition, or statistical distribution of monomers, likely contribute significantly to scarcity of heteropolymer exploration studies.

To make these considerations more approachable, I have developed ‘Compositional Drift’, a program using a Monte Carlo method to predict monomer consumption and heteropolymer monomer sequence in controlled radical polymerizations, based on monomer reactivity ratios [1]. ‘Compositional Drift’ is developed for experimentalists, and does not require experience with simulation software. This presentation will demonstrate ‘Compositional Drift’, and discuss its application and use in understanding non-covalent polymer-protein complexes [2], and design of polymers for lipid-polymer nanodiscs for studies of membrane proteins.[3]

[1] Smith, A. A. A. et al. (2019). "Practical Prediction of Heteropolymer Composition and Drift." ACS Macro Letters 8(1): 36-40.

[2] B. Panganiban. et al. (2018) Random heteropolymers preserve protein function in foreign environments. Science, 359, 1239–1243

​[3] ​Smith, A. A. A. et al. Controlling Styrene Maleic Acid Lipid Particles through RAFT. Biomacromolecules 18, 3706-3713.

Institut for Kemi, Medarbejdere, Offentligheden / Pressen