Computer simulation and preparation of molecularly imprinted polymer membranes with chlorogenic acid as template |
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| Authors: | Xiu Fang Li Shi An Zhong Lan Chen Andrew Whittaker |
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| Affiliation: | 1. College of Chemistry and Chemical Engineering, Central South University, Changsha, Hunan 410083, China;2. Australian Institute for Bioengineering and Nanotechnology, The University of Queensland, Brisbane, 4702, Australia |
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| Abstract: | A computational approach was developed for screening functional monomers for rational design of molecularly imprinted polymer (MIP) membranes. It was based on a comparison of the binding energy of complexes between a template and various functional monomers. According to the results of theoretical calculations, MIP membranes with chlorogenic acid as a template were prepared with a UV irradiation polymerization method, using 4‐vinylpyridine as a functional monomer and N,N′‐methylenebisacrylamide as a crosslinker, with poly(vinylidene fluoride) microfiltration membranes as the support. Membranes covered with a thin layer of imprinted polymer selective to chlorogenic acid were then obtained and tested using the equilibrium‐adsorption method. The high affinity of these synthetic membranes to chlorogenic acid, together with their straightforward and inexpensive preparation, provides a good basis for the development of applications of imprinted polymers in separation processes such as solid‐phase extraction. Copyright © 2011 Society of Chemical Industry |
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| Keywords: | molecularly imprinted polymer membranes Scatchard analysis chlorogenic acid Hartree‐Fock method binding energy |
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