Study on the Self-Organization System of Nicotine Molecular Imprinted Polymer

Hui-Min Bi1,*, Jun-Ping Hu1, Yan Liu1, Xing-Quan Chai1, Qiang Chen1 and Chun-Hua Dong1,2

1Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Hebei 056002, Handan Province, P.R. China

2Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P.R. China

*Corresponding author: E-mail: binbi99@163.com

Abstract

The geometry optimization, energy and binding energy (DE) of imprinted molecule with functional monomer was studied by Gaussian 03. The template molecule is nicotine and a-methacrylic acid, acrylamide and trifluoromethyl acrylic acid as functional monomer, respectively. The order of the binding energy of cotinine with the above monomers was discussed and the lowest binding energy is methacrylic acid, because of that, there are a hydrogen bonding and a electrostatic interaction in the molecular imprinted polymer by nicotine and a-methacrylic acid and it can be speculated that the best molecular recognition ability is by the molecular imprinted polymer of nicotine and a-methacrylic acid. It is helpful to interpret experiment phenomena and found functional monomer selectivity.

Keywords

Nicotine, Molecularly imprinted polymer, Computer simulation, Functional monomer.

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