DESIGN AND PROPERTIES ANALYSIS OF MOLECULARLY IMPRINTED POLYMERS. MOLECULAR MODELING METHOD APPLICATION
DOI:
https://doi.org/10.56782/pps.87Keywords:
molecularly imprinted polymers, molecular modeling, quantum mechanics, molecular mechanicsAbstract
The main objective of this article is presentation of molecular modeling application in rational design, synthesis and properties analysis of molecularly imprinted polymers.
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Yan, H.; Row, K. H., Characteristic and synthetic approach of molecularly imprinted polymer. Int. J. Mol. Sci., 2006, 7, 155-178. DOI: https://doi.org/10.3390/i7050155
Wu, L.; Li, Y., Study on the recognition of templates and their analogues on molecularly imprinted polymer using computational and conformational analysis approaches. J. Mol. Recognit., 2004, 17, 567–574. DOI: https://doi.org/10.1002/jmr.688
Piletska, E.; Piletsky, S.; Karim, K.; Terpetschnig, E.; Turner, A., Biotin-specific synthetic receptors prepared using molecular imprinting. Anal. Chim. Acta, 2004, 504, 179–183. DOI: https://doi.org/10.1016/S0003-2670(03)00813-4
Shah, K. A.; Peoples, M. C.; Halquist, M. S.; Rutan, S. C.; Karnes, H. T., Microfluidic direct injection method for analysis of urinary 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) using molecularly imprinted polymers coupled on-line with LC–MS/MS. J. Pharm. Biomed. Anal., 2011, 54, 368–378. DOI: https://doi.org/10.1016/j.jpba.2010.09.001
Li, J.; Jiang, F.; Wei, X., Molecularly imprinted sensor based on an enzyme amplifier for ultratrace oxytetracycline determination. Anal. Chem., 2010, 82, 6074–6078. DOI: https://doi.org/10.1021/ac100667m
Jafari, M. T.; Rezaei, B.; Zaker, B., Ion mobility spectrometry as a detector for molecular imprinted polymer separation and metronidazole determination in pharmaceutical and human serum samples. Anal. Chem., 2009, 81, 3585–3591. DOI: https://doi.org/10.1021/ac802557t
Lopez, C.; Claude, B.; Morin, P.; Max, J.-P.; Pena, R.; Ribet, J.-P., Synthesis and study of a molecularly imprinted polymer for the specific extraction of indole alkaloids from Catharanthus roseus extracts. Anal. Chim. Acta, 2011, 683, 198–205. DOI: https://doi.org/10.1016/j.aca.2010.09.051
Cirillo, G.; Curcio, M.; Parisi, O. I.; Puoci, F.; Iemma, F.; Spizzirri, U. G.; Restuccia, D.; Picci, N., Molecularly imprinted polymers for the selective extraction of glycyrrhizic acid from liquorice roots. Food Chem., 2011, 125, 1058–1063. DOI: https://doi.org/10.1016/j.foodchem.2010.09.077
Dai, C.; Geissen, S.-U.; Zhang, Y.-l.; Zhang, Y.-j.; Zhou, X.-f., Selective removal of diclofenac from contaminated water using molecularly imprinted polymer microspheres. Environ. Pollut., 2011, 159, 1660 -1666. DOI: https://doi.org/10.1016/j.envpol.2011.02.041
Rodríguez, E.; Navarro-Villoslada, F.; Benito-Peña, E.; Marazuela, M. D.; Moreno-Bondi, M. C., Multiresidue determination of ultratrace levels of fluoroquinolone antimicrobials in drinking and aquaculture water samples by automated online molecularly imprinted solid phase extraction and liquid chromatography. Anal. Chem., 2011, 83, 2046–2055. DOI: https://doi.org/10.1021/ac102839n
Jenik, M.; Schirhagl, R.; Schirk, C.; Hayden, O.; Lieberzeit, P.; Blaas, D.; Paul, G.; Dickert, F. L., Sensing picornaviruses using molecular imprinting techniques on a quartz crystal microbalance. Anal. Chem., 2009, 81, 5320–5326. DOI: https://doi.org/10.1021/ac8019569
Gong, C.; Wong, K.-L.; Lam, M. H. W., Photoresponsive molecularly imprinted hydrogels for the photoregulated release and uptake of pharmaceuticals in the aqueous media. Chem. Mater., 2008, 20, 1353–1358. DOI: https://doi.org/10.1021/cm7019526
Hoshino, Y.; Koide, H.; Urakami, T.; Kanazawa, H.; Kodama, T.; Oku, N.; Shea, K. J., Recognition, neutralization, and clearance of target peptides in the bloodstream of living mice by molecularly imprinted polymer nanoparticles: a plastic antibody. J. Am. Chem. Soc, 2010, 132, 6644–6645. DOI: https://doi.org/10.1021/ja102148f
Nicholls, I. A.; Adbo, K.; Andersson, H. S.; Andersson, P. O.; Ankarloo, J.; Hedin-Dahlström, J.; Jokela, P.; Karlsson, J. G.; Olofsson, L.; Rosengren, J.; Shoravi, S.; Johan Svenson, J.; Wikman, S., Can we rationally design molecularly imprinted polymers? Anal. Chim. Acta, 2001, 435, 9–18. DOI: https://doi.org/10.1016/S0003-2670(01)00932-1
Pietrzyk, A.; Kutner, W.; Chitta, R.; Zandler, M. E.; D’Souza, F.; Sannicolò, F.; Mussini, P. R., Melamine acoustic chemosensor based on molecularly imprinted polymer film. Anal. Chem., 2009, 81, 10061–10070. DOI: https://doi.org/10.1021/ac9020352
Riahi, S.; Edris-Tabrizi, F.; Javanbakht, M.; Ganjali, M. R.; Norouzi, P., A computational approach to studying monomer selectivity towards the template in an imprinted polymer. J. Mol. Model. , 2009, 15, 829–836. DOI: https://doi.org/10.1007/s00894-008-0437-2
Apodaca, D. C.; Pernites, R. B.; Ponnapati, R. R.; Del Mundo, F. R.; Advincula, R. C., Electropolymerized molecularly imprinted polymer film: EIS sensing of bisphenol A. Macromol., 2011, 44, 6669–6682. DOI: https://doi.org/10.1021/ma2010525
Apodaca, D. C.; Pernites, R. B.; Ponnapati, R. R.; Del Mundo, F. R.; Advincula, R. C., Electropolymerized molecularly imprinted polymer films of a bis-terthiophene dendron: folic acid quartz crystal microbalance sensing. ACS Appl. Mater. Interfaces 2011, 3, 191–203. DOI: https://doi.org/10.1021/am100805y
Alizadeh, T., Development of a molecularly imprinted polymer for pyridoxine using an ion-pair as template. Anal. Chim. Acta, 2008, 623, 101–108. DOI: https://doi.org/10.1016/j.aca.2008.06.001
Kowalska, A.; Stobiecka, A.; Wysocki, S., A computational investigation of the interactions between harmane and functional monomers commonly used in molecular imprinting. J. Mol. Struct:Theochem 2009, 901, 88-95. DOI: https://doi.org/10.1016/j.theochem.2009.01.008
Li, Y.; Li, X.; Dong, C.; Li, Y.; Jin, P.; Qi, J., Selective recognition and removal of chlorophenols from aqueous solution using molecularly imprinted polymer prepared by reversible addition-fragmentation chain transfer polymerization. Biosens. Bioelectr., 2009, 25, 306-312. DOI: https://doi.org/10.1016/j.bios.2009.07.001
Gholivand, M. B.; Khodadadian, M.; Ahmadi, F., Computer aided-molecular design and synthesis of a high selective molecularly imprinted polymer for solid-phase extraction of furosemide from human plasma. Anal. Chim. Acta, 2010, 658, 225-232. DOI: https://doi.org/10.1016/j.aca.2009.11.019
Khodadadian, M.; Ahmadi, F., Computer-assisted design and synthesis of molecularly imprinted polymers for selective extraction of acetazolamide from human plasma prior to its voltammetric determination. Talanta, 2010, 81, 1446–1453. DOI: https://doi.org/10.1016/j.talanta.2010.02.049
Del Sole, R.; Lazzoi, M. R.; Arnone, M.; Della Sala, F.; Cannoletta, D.; G., V., Experimental and computational studies on non-covalent imprinted microspheres as recognition system for nicotinamide molecules. Molecules, 2009, 14, 2632-2649. DOI: https://doi.org/10.3390/molecules14072632
Diñeiro, Y.; Menéndez, M. I.; Blanco-López, M. C.; Lobo-Castañón, M. J.; Miranda-Ordieres, A. J.; Tuñón-Blanco, P., Computational approach to the rational design of molecularly imprinted polymers for voltammetric sensing of homovanillic acid. Anal. Chem., 2005, 77, 6741-6746. DOI: https://doi.org/10.1021/ac0513461
Diñeiro, Y.; Menéndez, M. I.; Blanco-López, M. C.; Lobo-Castañón, M. J.; Miranda-Ordieres, A. J.; Tuñón-Blanco, P., Computational predictions and experimental affinity distributions for a homovanillic acid molecularly imprinted polymer. Biosens. Bioelectr., 2006, 22, 364–371. DOI: https://doi.org/10.1016/j.bios.2006.03.027
Yao, J.; Li, X.; Qin, W., Computational design and synthesis of molecular imprinted polymers with high selectivity for removal of aniline from contaminated water. Anal. Chim. Acta, 2008, 610, 282–288. DOI: https://doi.org/10.1016/j.aca.2008.01.042
Li, Y.; Ding, M.; Wang, S.; Wang, R.; Wu, X.; Wen, T.; Yuan, L.; Dai, P.; Lin, Y.; Zhou, X., Preparation of imprinted polymers at surface of magnetic nanoparticles for the selective extraction of tadalafil from medicines. ACS Appl. Mater. Interfaces, 2011, 3, 3308-3315. DOI: https://doi.org/10.1021/am2007855
Liu, Y.; Wang, F.; Tan, T.; Lei, M., Rational design and study on recognition property of paracetamol-imprinted polymer. Appl. Biochem. Biotechnol. , 2010, 160, 328–342. DOI: https://doi.org/10.1007/s12010-008-8299-8
Liu, Y.; Wang, F.; Tan, T.; Lei, M., Study of the properties of molecularly imprinted polymers by computational and conformational analysis. Anal. Chim. Acta, 2007, 581, 137–146. DOI: https://doi.org/10.1016/j.aca.2006.08.015
Dong, W.; Yan, M.; Liu, Z.; Wu, G.; Li, Y., Effects of solvents on the adsorption selectivity of molecularly imprinted polymers: Molecular simulation and experimental validation. Sep. Purif. Technol., 2007, 53, 183–188. DOI: https://doi.org/10.1016/j.seppur.2006.06.023
Farrington, K.; Magner, E.; Regan, F., Predicting the performance of molecularly imprinted polymers: Selective extraction of caffeine by molecularly imprinted solid phase extraction. Anal. Chim. Acta, 2006, 566, 60-68. DOI: https://doi.org/10.1016/j.aca.2006.02.057
Farrington, K.; Regan, F., Investigation of the nature of MIP recognition: The development and characterisation of a MIP for ibuprofen. Biosens. Bioelectr., 2007, 22, 1138-1146. DOI: https://doi.org/10.1016/j.bios.2006.06.025
Sun, H.; Qiao, F., Recognition mechanism of water-compatible molecularly imprinted solid-phase extraction and determination of nine quinolones in urine by high performance liquid chromatography. J. Chrom. A 2008, 1212, 1-9. DOI: https://doi.org/10.1016/j.chroma.2008.09.107
Luliński, P.; Maciejewska, D.; Bamburowicz-Klimkowska, M.; M., S., Dopamine-imprinted polymers: template-monomer interactions, analysis of template removal and application to solid phase extraction. Molecules, 2007, 12, 2434-2449. DOI: https://doi.org/10.3390/12112434
Jacob, R.; Tate, M.; Banti, Y.; Rix, C.; Mainwaring, D. E., Synthesis, characterization, and ab initio theoretical study of a molecularly imprinted polymer selective for biosensor materials. J. Phys. Chem. A, 2008, 112, 322-331. DOI: https://doi.org/10.1021/jp074405i
O’Connor, N. A.; Paisner, D. A.; Huryn, D.; Shea, K. J., Screening of 5-HT1A receptor antagonists using molecularly imprinted polymers. J. Am. Chem. Soc, 2007, 129, 1680-1689. DOI: https://doi.org/10.1021/ja067276c
Żołek, T.; Luliński, P.; Maciejewska, D., A computational model for selectivity evaluation of 2-(3,4-dimethoxyphenyl)ethylamine (homoveratrylamine) imprinted polymerstowards biogenic compounds. Anal. Chim. Acta, 2011, 693, 121–129. DOI: https://doi.org/10.1016/j.aca.2011.03.009
Atta, N. F.; Hamed, M. M.; Abdel-Mageed, A. M., Computational investigation and synthesis of a sol–gel imprinted material for sensing application of some biologically active molecules. Anal. Chim. Acta, 2010, 667, 63–70. DOI: https://doi.org/10.1016/j.aca.2010.04.005
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