Design Of A New Molecularly Imprinted Polymer Selective For Hydrochlorothiazide Based On Theoretical Predictions Using Gibbs Free Energy

dc.creatorBarros
dc.creatorLeonardo A.; Custodio
dc.creatorRogerio; Rath
dc.creatorSusanne
dc.date2016
dc.datedez
dc.date2017-11-13T13:54:27Z
dc.date2017-11-13T13:54:27Z
dc.date.accessioned2018-03-29T06:07:51Z
dc.date.available2018-03-29T06:07:51Z
dc.identifierJournal Of The Brazilian Chemical Society. Soc Brasileira Quimica, v. 27, p. 2300 - 2311, 2016.
dc.identifier0103-5053
dc.identifier1678-4790
dc.identifierWOS:000391146000015
dc.identifier10.5935/0103-5053.20160126
dc.identifierhttp://www.scielo.br/scielo.php?pid=S0103-50532016001202300&script=sci_arttext
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/329401
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1366426
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.descriptionA molecularly imprinted polymer (MIP) for the diuretic drug hydrochlorothiazide (HCTZ) based on theoretical predictions was developed. Molecular modeling calculations were performed to study the intermolecular interactions in the pre-polymerization mixture and to select a suitable functional monomer and a porogenic solvent for the synthesis of the MIP. To confirm the results of the theoretical predictions, three MIPs were synthesized and evaluated using the equilibrium batch rebinding method. A water-compatible MIP was prepared using HCTZ as the template and acrylamide as the functional monomer (FM) with ethylene glycol dimethacrylate as the cross-linker and tetrahydrofuran as the porogen. An imprinting factor of 8.24 was obtained. The polymer was characterized by Fourier transform infrared (FTIR), solid-state nuclear magnetic resonance, scanning electron microscopy, thermogravimetric analysis and nitrogen sorption porosimetry. In addition to HCTZ, six structurally related compounds were tested to evaluate the selectivity of the HCTZ-MIP, and cross-selectivity of the MIP was verified.
dc.description27
dc.description12
dc.description2300
dc.description2311
dc.descriptionCNPq [141618/2010-8]
dc.descriptionFAPESP [2007/02306-9]
dc.descriptionFAEPEX-UNICAMP
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
dc.languageEnglish
dc.publisherSoc Brasileira Quimica
dc.publisherSão Paulo
dc.relationJournal of the Brazilian Chemical Society
dc.rightsaberto
dc.sourceWOS
dc.subjectMolecularly Imprinted Polymer
dc.subjectMolecular Modeling
dc.subjectGibbs Free Energy
dc.subjectHydrochlorothiazide
dc.subjectPolarizable Continuum Model
dc.titleDesign Of A New Molecularly Imprinted Polymer Selective For Hydrochlorothiazide Based On Theoretical Predictions Using Gibbs Free Energy
dc.typeArtículos de revistas


Este ítem pertenece a la siguiente institución