Authors: Bi HM
, Hu JP
, Liu Y
, Chai XQ
, Tong LX
, Dong CH
Computer Simulation Study on the Effect of Recognized Characteristics of Cotinine Imprinted Polymer with Different Functional Monomers.
Publication date: 2014
Journal: Asian Journal of Chemistry
Alternative URL: http://asianjournalofchemistry.co.in/user/journal/viewarticle.aspx?ArticleID=26_2_36
Abstract: The geometry optimization, energy and binding energy (Delta E) of imprinted molecule with functional monomer was studied by Gaussian 03. The template molecule is cotinine and methacrylic acid, 2-(trifluoromethyl)propenoic acid and acrylamide as functional monomer, respectively. The order of the binding energy of cotinine with the above monomers was discussed and the lowest binding energy is found with 2-(trifluoromethyl)propenoic acid. It is helpful to interpret experiment phenomena and found functional monomer selectivity
Template and target information: cotinine
Author keywords: Cotinine, molecularly imprinted polymer, functional monomer, computer simulation
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