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Reference type: Journal
Authors: Pereira TFD, da Silva ATM, Borges KB, Nascimento CS
Article Title: Carvedilol-Imprinted Polymer: Rational design and selectivity studies.
Publication date: 2019
Journal: Journal of Molecular Structure
Volume: 1177
Page numbers: 101-106.
DOI: 10.1016/j.molstruc.2018.09.043
Alternative URL: http://www.sciencedirect.com/science/article/pii/S0022286018311256

Abstract: The purpose of this work was to investigate via DFT calculations the molecular imprinted polymer (MIP) for carvedilol (CAR) testing distinct molar ratios, functional monomers (FMs) and solvents. As result we could determine the best MIP synthesis protocol as being: methacrylic acid (MAA) as FM, chloroform as solvent and 1:4 M ratio, i.e. one CAR to four MAA. After synthesis by rational design, the MIP presented recovery around 100% and high affinity and selectivity for CAR compared to other drugs
Template and target information: carvedilol, CAR
Author keywords: DFT, Theoretical calculations, rational design, Carvedilol, molecularly imprinted polymer


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