A Functional Monomer Is Not Enough: Principal Component Analysis of the Influence of Template Complexation in Pre-Polymerization Mixtures on Imprinted Polymer Recognition and Morphology
作者： Kerstin Golker , Björn Karlsson , Annika Rosengren , Ian Nicholls
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摘要: In this report, principal component analysis (PCA) has been used to explore the influence of template complexation in pre-polymerization phase on molecularly imprinted polymer (MIP) recognition and morphology. A series 16 bupivacaine MIPs were studied. The ethylene glycol dimethacrylate (EGDMA)-crosslinked polymers had either methacrylic acid (MAA) or methyl methacrylate (MMA) as functional monomer, stoichiometry between template, monomer crosslinker was varied. characterized using radioligand equilibrium binding experiments, gas sorption measurements, swelling studies data extracted from molecular dynamics (MD) simulations all-component mixtures. molar fraction MAA-polymers contributed describing both binding, surface area pore volume. Interestingly, weak positive correlations behavior rebinding characteristics MAA-MIPs exposed. Polymers prepared with MMA a only EGDMA found share same characteristics, such poor capacities, well similar volume, independent synthesis. use PCA for interpreting relationships MD-derived descriptions events mixture, properties morphologies corresponding illustrates potential tool better understanding these complex materials their rational design.
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