Characterization of Molecularly Imprinted Polymers

The computational approach involves evaluation of the interactions between the template and the functional monomer(s) using molecular modeling software. The procedure often starts with a screening of a virtual library of monomers against the template molecule to decide the appropriate monomer. An iterative routine places a monomer molecule at different positions around the template molecule and the interactions are calculated. During a later stage of the procedure, the number of functional monomer molecules needed per template molecule for optimal interaction is determined. This approach has been used successfully by several investigators [152-162], 

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Umpleby II RJ, Baxter SC, Chen Y, Shah RN, Shimizu KD. Characterization of molecularly imprinted polymers with the Langmuir-Freundlich isotherm. Anal Chem 2001 73 4584-4591. 

Umpleby II, R.J. Baxter, S.C. Bode, M. Berch, J.K. Shah, R.N. Shimizu, K.D. Application of the Freundlich adsorption isotherm in the characterization of molecularly imprinted polymers. Anal. Chim. Acta 2001, 435, 35-42. 

Synthesis and Spectroscopic Characterization of Molecularly Imprinted Polymer Phosphonate Sensors, Chapter 2... 

Spivak, D.A. (2005). Optimization, evaluation, and characterization of molecularly imprinted polymers. Advanced Drug Delivery Reoiws, 57,1779-1794. 

Anirudhan TS, Sandeep S. Synthesis and characterization of molecularly imprinted polymer of N-maleoylchitosan-grafted-2-acrylamido-2-methylpropanesulfonic acid and its controlled delivery and recognition of bovine serum albumin. Polym Chem 2011 2 2052-2061. 

S. Azodi-Deilami, M. Abdouss, and M. Javanbakht, The Syntheses and Characterization of molecularly imprinted polymers for the controlled release of bromhexine, Appl. Biochem. Biotech., 164 (2) 133-147, 2011. 

M. Abdouss, E. Asadi, S. Azodi-Deilami, N. Beik-mohammadi and S.A. Aslanzadeh, Development and characterization of molecularly imprinted polymers for controlled release of citalopram, J. Mater. Sci. Mater. M., 22 (10) 2273-2281, 2011. 

H.B. Zhu, YZ. Wang, Y. Yuan and H.A. Zeng, Development and characterization of molecularly imprinted polymer microspheres for the selective detection of kaempferol in traditional Chinese medicines. Ana/. Methods-Uk, 3 (2) 348-355,2011. 

Y. Yuan, Y.Z. Wang, M.-D. Huang, R. Xu, H. Zeng, C. Nie and J.H. Kong, Development and characterization of molecularly imprinted polymers for the selective enrichment of podophyllotoxin from traditional Chinese medicines. Anal. Chim. Acta, 695 (1-2) 63-72,2011. 

N. Arabzadeh and M. Abdouss, Synthesis and characterization of molecularly imprinted polymers for selective sohd-phase extraction of pseudoephedrine. Colloid /, 72 (4) 446-455,2010. 

Synthetic polymer spheres with the ability for molecular recognition represent a promising alternative to affinity binding matrices using biological molecules. This chapter describes various methods for the preparation of molecularly imprinted polymer spheres in the colloidal state. The synthesis, characterization, and performance of colloidal dispersions of molecularly imprinted polymer spheres and their application are discussed. 

Garcia-Calzon JA, Diaz-Garcia ME. Characterization of binding sites in molecularly imprinted polymers. Sens ActuatB 2007 123 1180-1194. 

Rampey AM, Umpleby RJ, Rushton GT, Iseman JC, Shah RN, Shimizu KD. Characterization of the imprint effect and the influence of imprinting conditions on affinity, capacity, and heterogeneity in molecularly imprinted polymers using the Freundlich isotherm-affinity distribution analysis. Anal Chem 2004 76 1123-1133. 

In this chapter we describe various methods for preparing molecularly imprinted polymers (MIP) in a colloidal state. The resulting materials consist of submicron scale particles dispersed in a liquid acting as fully functional synthetic affinity receptors. The synthesis, characterization, and performance of colloidal molecularly imprinted polymers are described and applications with this new class of affinity receptors is discussed. 

Abstract Artificial receptors have been in use for several decades as sensor elements, in affinity separation, and as models for investigation of molecular recognition. Although there have been numerous publications on the use of molecular modeling in characterization of their affinity and selectivity, very few attempts have been made on the application of molecular modeling in computational design of synthetic receptors. This chapter discusses recent successes in the use of computational design for the development of one particular branch of synthetic receptors - molecularly imprinted polymers. 

Sellergren, B. Hall, A.J. Fundamental aspects on the synthesis and characterization of imprinted network polymers. In Molecularly Imprinted Polymers. Elsevier Amsterdam, the Netherlands, 2001 p. 21. 

Uezu, K. Tazume, N. Yoshida, M. Goto, M. Furusaki, S. Characterization and control of matrix for surface molecular-imprinted polymer. Kagaku Ronbunshi 2001, 27, 753-755. 

We believe that in the near future, the use of computational methods in conjunction with spectroscopic techniques and thermodynamic considerations should allow the in silico simulation to be used broadly for the analysis of the influence of polymerization conditions (solvent, cross-linker, temperature) on the performance of imprinted polymers, for optimization of the monomer composition and for tailoring polymer performance for specific applications. The computational approach described here represents a first step towards the truly rational design (tailoring) of MlPs and prediction of polymer properties. Nonetheless, improvements in our capacity to predict polymer performance should be benefited through the combination of molecular modeling, further physical characterization of the imprinting process, and combinatorial strategies (Chapter 8). 

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