Computer Simulation and Experimental Investigations of Phenobarbital Molecular Imprinting System
- Corresponding author: LIU Jun-Bo, liujb@mail.ccut.edu.cn TANG Shan-Shan, tangshanshan81@163.com
Citation:
LIU Jun-Bo, TANG Shan-Shan, DAI Zheng-Qiang, WANG Yan, GAO Qian, JIN Rui-Fa. Computer Simulation and Experimental Investigations of Phenobarbital Molecular Imprinting System[J]. Chinese Journal of Structural Chemistry,
;2016, 35(12): 1840-1848.
doi:
10.14102/j.cnki.0254-5861.2011-1238
Moein M. M, Javanbakht M, Karimi M, Akbari-Adergani B. Molecularly imprinted sol-gel nanofibers based solid phase microextraction coupled on-line with high performance liquidchromatography for selective determination of acesulfame[J]. Talanta, 2015,134:340-347. doi: 10.1016/j.talanta.2014.11.011
Zhang Y. Q, Shan X, Gao X. Q. Development of a molecularly imprinted membrane for selective separation of flavonoids[J]. Sep. Purif. Technol, 2011,76:337-344. doi: 10.1016/j.seppur.2010.10.024
Ji J, Zhou Z, Zhao X. L, Sun J. D, Sun X. L. Electrochemical sensor based on molecularly imprinted film at Au nanoparticles-carbon nanotubes modified electrode for determination of cholesterol[J]. Biosens. Bioelectron, 2015,66:590-595. doi: 10.1016/j.bios.2014.12.014
Zhai H. Y, Su Z. H, Chen Z. G, Liu Z. P, Yuan K S, Huang L. Molecularly imprinted coated graphene oxide solid-phase extraction monolithic capillary column for selective extraction and sensitive determination of phloxine B in coffee bean[J]. Anal. Chim. Acta, 2015,865:16-21. doi: 10.1016/j.aca.2015.01.028
Wyszomirski M, Prus W. Molecular modelling of a template substitute and monomers used in molecular imprinting for aflatoxin B1 micro-HPLC analysis[J]. Mol. Simulat, 2012,38:892-895. doi: 10.1080/08927022.2012.667876
Luo D, Zhao Z, Zhang L, Wang Q, Wang J. On the structure of molecularly imprinted polymers by modifying charge on functional groups through molecular dynamics simulations[J]. Mol. Simulat, 2013,40:431-438.
Su T. T, Liu J. B, Tang S. S, Chang H. B, Jin R. F. Theoretical study on the structures and properties of phenobarbital imprinted polymers.Chin[J]. J. Struct. Chem, 2014,33:1421-1430.
Liu J. B, Shi Y, Tang S. S, Jin R. F. Theoretical and experimental research on the self-assembled system of molecularly imprinted polymers formed by salbutamol and methacrylic acid[J]. J. Sep. Sci, 2015,38:1065-1071. doi: 10.1002/jssc.201401309
Mujahid A, Iqbal N, Afzal A. Bioimprinting strategies: from soft lithography to biomimetic sensors and beyond[J]. Biotechnol. Adv, 2013,31:1435-1447. doi: 10.1016/j.biotechadv.2013.06.008
Hua K. C, Zhang L, Zhang Z. H, Guo Y, Guo T. Y. Surface hydrophilic modification with a sugar moiety for a uniform-sized polymer molecularly imprinted for phenobarbital in serum[J]. Acta Biomater, 2011,7:3086-3093. doi: 10.1016/j.actbio.2011.05.006
Hu S. G, Wang S. W, He X. W. An amobarbital molecularly imprinted microsphere for selective solid-phase extraction of phenobarbital from human urine and medicines and their determination by high-performance liquid chromatography[J]. Analyst, 2003,128:1485-1489. doi: 10.1039/b310775b
Yoshimatsu K, Reimhult K, Krozer A, Mosbacha K, Sodeb K, Yea L. Uniform molecularly imprinted microspheres and nanoparticles prepared by precipitation polymerization: the control of particle suitable for different analytical applications[J]. Anal. Chim. Acta, 2007,584:112-121. doi: 10.1016/j.aca.2006.11.004
Sun J. N, Liu J. B, Tang S. S, Jin R. F. Theoretical researches on the self-assembly system of ciprofloxacin imprinted polymers[J]. Chin. J. Struct. Chem, 2013,32:1204-1210.
Siripairoj W, Kaewchada A, Jaree A. Synthesis of molecularly imprinted polymers for the separation of gamma-oryzanol by using methacrylic acid as functional monomer[J]. J. Taiwan. Inst. Chem. E, 2014,45:338-346. doi: 10.1016/j.jtice.2013.06.035
Gohary N. A. E, Madbouly A, Nashar R. M. E, Mizaikoff B. Synthesis and application of a molecularly imprinted polymer for the voltammetric determination of famciclovir[J]. Biosens. Bioelectron, 2015,65:108-114. doi: 10.1016/j.bios.2014.10.024
Bai J. W, Zhong F. C, Liu X. Y, Zhang J. H. Preparation and evaluation of magnetic imprinted polymers for 2,4,6-trinitrotoluene by surface imprinting[J]. Poly. Int, 2014,63:1487-1493. doi: 10.1002/pi.2014.63.issue-8
Wen Z, Ni T, Jia X, Wang G. P, Long W, Li X. L, Liao S, Hou D. Synthesis, recognition characteristics and properties of l-3-n-butylphthalide molecularly imprinted polymers as sorbent for solid-phase extraction through precipitation polymerization[J]. Mat. Sci. Eng. C, 2015,53:166-174. doi: 10.1016/j.msec.2015.04.034
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Baroe, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi I.; Gomperts R.; Martin R. L.; Fox D. J, Keith T, Al-Laham M. A, Peng C. Y, Nanayakkara A, Gonzalez C, Challacombe M, Gill P. M. W, Johnson B, Chen W, Wong M. W, Andres J. L, Gonzalez C, Head-Gordon M, Replogle E. S, Pople J. A.Gaussian 09, Revision A.2 Pittsburgh PA: Gaussian Inc, 2009.
Bader R. F. W. A quantum theory of molecular structure and its applications[J]. Chem. Rev, 1991,91:893-928. doi: 10.1021/cr00005a013
Bhawani Datt J, Anubha S, Poonam T, Sudha J. Molecular structure, vibrational spectra and HOMO, LUMO analysis of yohimbine hydrochloride by density functional theory and ab initio Hartree-Fock calculations[J]. Spectrochim. Acta Part A, 2011,82:270-278. doi: 10.1016/j.saa.2011.07.047
Popelier P. L. A. Characterization of a dihydrogen bond on the basis of the electron density[J]. J. Phys. Chem. A, 1998,102:1873-1878. doi: 10.1021/jp9805048
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