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Computer Simulation Study on the Effect of Recognized Characteristics of Cotinine Imprinted Polymer with Different Functional Monomers
Corresponding Author(s) : Hui-Min Bi
Asian Journal of Chemistry,
Vol. 26 No. 1 (2014): Vol 26 Issue 1
Abstract
The geometry optimization, energy and binding energy (DE) 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.
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References
A. Hakan, D. Nizam, O.S. Nefise, Asian J. Chem., 18, 1710 (2006).
H.M. Jiang, S.F. Zhang, Q. Shi, Asian J. Chem., 23, 3783 (2011).
I. Chianella, M. Lotierzo, S.A. Piletsky, I.E. Tothill, B. Chen, K. Karim and A.P.F. Turner, Anal. Chem., 74, 1288 (2002); doi:10.1021/ac010840b.
E. Dinç, D. Baleanu, Asian J. Chem., 23, 2377 (2011).
X.B. Wu, J. Xue, L.L. Zhang, N. Sun, D.J. Liu, Asian J. Chem., 24, 3829 (2012).
W.G. Dong, M. Yan, M.L. Zhang, Z. Liu and Y.M. Li, Anal. Chim. Acta, 542, 186 (2005); doi:10.1016/j.aca.2005.03.032.
J. Yang, Y. Hu, J.B. Cai, X.L. Zhu and Q.D. Su, Anal. Bioanal. Chem., 384, 761 (2006); doi:10.1007/s00216-005-0221-4.
D. Yildiz, Toxicon, 43, 619 (2004); doi:10.1016/j.toxicon.2004.01.017.
J.O. Ebbert, L.C. Dale, L.M. Nirelli, D.R. Schroeder, T.P. Moyer and R.D. Hurt, Addict. Behav., 29, 349 (2004); doi:10.1016/j.addbeh.2003.08.046.
J. Yang, X.L. Zhu, J.B. Cai, Q.D. Su, Y. Gao and L. Zhang, Chin. Chem. Lett., 16, 1503 (2005).