Multilayer perceptron network and Vyazovkin method applied to the non-isothermal kinetic study of the interaction between lumefantrine and molecularly imprinted polymer

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dc.creatorMaria Betânia de Freitas-Marques
dc.creatorBárbara Caroline Rodrigues Araújo
dc.creatorPedro Henrique Reis da Silva
dc.creatorChristian Fernandes
dc.creatorWagner da Nova Mussel
dc.creatorRita de Cássia de Oliveira Sebastião
dc.creatorMaria Irene Yoshida
dc.date.accessioned2022-05-18T23:15:51Z
dc.date.accessioned2025-09-08T23:00:25Z
dc.date.available2022-05-18T23:15:51Z
dc.date.issued2021
dc.identifier.doi10.1007/s10973-020-09818-1
dc.identifier.issn1388-6150
dc.identifier.urihttps://hdl.handle.net/1843/41809
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofJournal of Thermal Analysis and Calorimetry
dc.rightsAcesso Restrito
dc.subjectPolímeros de impressão molecular
dc.subjectRede neural artificial
dc.subjectAntimaláricos
dc.subject.otherArtifcial neural network
dc.subject.otherPowder X-ray difraction
dc.subject.otherDSC
dc.subject.otherThermal analysis
dc.subject.otherAntimalarial drug
dc.subject.otherMolecularly imprinted solid-phase extraction
dc.titleMultilayer perceptron network and Vyazovkin method applied to the non-isothermal kinetic study of the interaction between lumefantrine and molecularly imprinted polymer
dc.typeArtigo de periódico
local.citation.epage2449
local.citation.spage2441
local.citation.volume145
local.description.resumoMolecularly imprinted polymers (MIP) have been used primarily to improve selectivity in solid-phase extraction. Synthetic MIPs composed by 2-vinyl pyridine as the monomer, ethylene glycol dimethacrylate as a cross-linker, toluene as the porogen solvent, and azobisisobutyronitrile as initiator were obtained by the precipitation polymerization and were investigated to describe the interaction between the template and the MIP. The non-isothermal interactions between MIP and the antimalarial drug lumefantrine as a template were investigated by differential scanning calorimetry. The data were recorded at the heating rates of 5, 7.5, 10, and 15 °C min−1. During the experiments, the obtained compound lumefantrine–MIP and the kinetics of this process were investigated using Vyazovkin isoconversional method and multilayer perceptron network (MLP). Thermal analysis and powder X-ray diffraction indicate a specific thermal and crystalline event (fingerprint) for this compound. According to the Vyazovkin method, the determined activation energy to initiate the compound formation is about 80 kJ mol−1 and about 166 kJ mol−1 to achieve 60% of conversion. MLP determined activation energy of 159–196 kJ mol−1 for the whole process and attested a significant contribution of the Avrami–Erofeev kinetic model to describe the event.
local.publisher.countryBrasil
local.publisher.departmentFAR - DEPARTAMENTO DE ALIMENTOS
local.publisher.departmentICX - DEPARTAMENTO DE QUÍMICA
local.publisher.initialsUFMG
local.url.externahttps://link.springer.com/article/10.1007/s10973-020-09818-1

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