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Computational Optimization And Characterization Of Molecularly Imprinted Polymers, Jacob Jordan Terracina
Computational Optimization And Characterization Of Molecularly Imprinted Polymers, Jacob Jordan Terracina
Legacy Theses & Dissertations (2009 - 2024)
Molecularly imprinted polymers (MIPs) are a class of materials containing sites capable of selectively binding to the imprinted target molecule. Computational chemistry techniques were used to study the effect of different fabrication parameters (the monomer-to-target ratios, pre-polymerization solvent, temperature, and pH) on the formation of the MIP binding sites. Imprinted binding sites were built in silico for the purposes of better characterizing the receptor – ligand interactions. Chiefly, the sites were characterized with respect to their selectivities and the heterogeneity between sites.