Quantum Chemical Calculations on the Interaction between Flavonol and Functional Monomers (Methacrylic Acid and 4-Vinylpyridine) in Molecularly Imprinted Polymers

Quantum Chemical Calculations on the Interaction between Flavonol and Functional Monomers (Methacrylic Acid and 4-Vinylpyridine) in Molecularly Imprinted Polymers

Quantum chemical calculations were performed to characterize the interaction of the flavonol molecule (FL) with methacrylic acid (MAA) and 4-vinylpyridine (4VPy) in the formation of imprinted polymers. The polarizable continuum model (PCM) was used to gain insight on the type of interaction between...

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Bibliographic Details
Main Authors: Luis Enrique Gómez-Pineda, Georgina Esther Pina-Luis, Carlos Martín Cortés-Romero, Manuel Eduardo Palomar-Pardavé, Giselle Alicia Rosquete-Pina, Marta Elena Díaz-García, María de los Angeles Cuán Hernández
Format: Article
Language:English
Published: MDPI AG 2010-06-01
Series:Molecules
Subjects:
DFT study
pre-polymerization complex
imprinted polymer
Online Access:http://www.mdpi.com/1420-3049/15/6/4017/

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http://www.mdpi.com/1420-3049/15/6/4017/

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