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Vol. 26 No. 10 (2014): Vol 26 Issue 10

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

https://doi.org/10.14233/ajchem.2014.15823
Hui-Min Bi
Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Hebei 056002, Handan Province, P.R. China
Jun-Ping Hu
Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Hebei 056002, Handan Province, P.R. China
Yan Liu
Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Hebei 056002, Handan Province, P.R. China
Xing-Quan Chai
Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Hebei 056002, Handan Province, P.R. China
Qiang Chen
Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Hebei 056002, Handan Province, P.R. China
Chun-Hua Dong
Handan Key Laboratory of Organic Small Molecule Materials, Handan College, Hebei 056002, Handan Province, P.R. China ;Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, P.R. China

Corresponding Author(s) : Hui-Min Bi

binbi99@163.com

Asian Journal of Chemistry, Vol. 26 No. 10 (2014): Vol 26 Issue 10

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
Bi, H.-M., Hu, J.-P., Liu, Y., Chai, X.-Q., Chen, Q., & Dong, C.-H. (2014). Study on the Self-Organization System of Nicotine Molecular Imprinted Polymer. Asian Journal of Chemistry, 26(10), 2851–2853. https://doi.org/10.14233/ajchem.2014.15823
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