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Reference type: Journal
Authors: Bi HM, Hu JP, Chai XQ, Chen Q, Dong CH
Article Title: Study on the Self-Organization System of Nicotine Molecular Imprinted Polymer.
Publication date: 2014
Journal: Asian Journal of Chemistry
Volume: 26
Issue: (10)
Page numbers: 2851-2853.
DOI: 10.14233/ajchem.2014.15823
Alternative URL: http://www.asianjournalofchemistry.co.in/user/journal/viewarticle.aspx?ArticleID=26_11_8

Abstract: The geometry optimization, energy and binding energy (Δ E) of imprinted molecule with functional monomer was studied by Gaussian 03. The template molecule is nicotine and α-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 α-methacrylic acid and it can be speculated that the best molecular recognition ability is by the molecular imprinted polymer of nicotine and α-methacrylic acid. It is helpful to interpret experiment phenomena and found functional monomer selectivity.
Template and target information: nicotine
Author keywords: nicotine, molecularly imprinted polymer, computer simulation, functional monomer


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