Hopfield neural network-based algorithm applied to differential scanning calorimetry data for kinetic studies in polymorphic conversion

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dc.creatorBárbara Caroline Rodrigues de Araujo
dc.creatorFelipe Silva Carvalho
dc.creatorMaria Betânia de Freitas Marques
dc.creatorJoão Pedro Braga
dc.creatorRita de Cássia de Oliveira Sebastião
dc.date.accessioned2022-04-09T00:24:06Z
dc.date.accessioned2025-09-09T01:29:12Z
dc.date.available2022-04-09T00:24:06Z
dc.date.issued2020-07
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológico
dc.description.sponsorshipFAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superior
dc.format.mimetypepdf
dc.identifier.doi10.21577/0103-5053.20200024
dc.identifier.issn0103-5053
dc.identifier.urihttps://hdl.handle.net/1843/40951
dc.languageeng
dc.publisherUniversidade Federal de Minas Gerais
dc.relation.ispartofJournal of the Brazilian Chemical Society
dc.rightsAcesso Aberto
dc.subjectAlgoritmo
dc.subjectRede Neural Hopfield
dc.subjectRedes neurais artificiais
dc.subjectCalorimetria
dc.subject.otherKinetic study
dc.subject.otherNeural network
dc.subject.otherThermal analysis
dc.subject.otherDSC
dc.titleHopfield neural network-based algorithm applied to differential scanning calorimetry data for kinetic studies in polymorphic conversion
dc.typeArtigo de periódico
local.citation.epage1400
local.citation.issue7
local.citation.spage1392
local.citation.volume31
local.description.resumoA general kinetic equation to simulate differential scanning calorimetry (DSC) data was employed along this work. Random noises are used to generate a thousand data, which are considered to evaluate the performance of Levenberg-Marquardt (LM) and a Hopfield neural network (HNN) based algorithm in the fitting process. The HNN-based algorithm showed better results for two different initial conditions: exact and approximated values. After this statistical analysis, DSC experimental data at three heating rates for losartan potassium, an antihypertensive drug, was adjusted by the HNN method using different initial conditions to obtain the activation energy and frequency factor. Additionally, it was possible to recover the parameters for the kinetic model with accuracy, showing that the conversion is described by a complex process, once these values do not correspond to any ideal models described in the literature.
local.publisher.countryBrasil
local.publisher.departmentFAR - DEPARTAMENTO DE ALIMENTOS
local.publisher.departmentICX - DEPARTAMENTO DE QUÍMICA
local.publisher.initialsUFMG
local.url.externahttps://www.scielo.br/j/jbchs/a/Q4CmPZ9dzDc3CGKJGjk9kJx/?lang=en

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