An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant

Bibliographic Details
Main Author: Borges, E .
Publication Date: 2012
Other Authors: Menezes, D. C., Braga, J. P.
Format: Article
Language: eng
Source: LOCUS Repositório Institucional da UFV
Download full: https://doi.org/10.1002/qua.24163
http://www.locus.ufv.br/handle/123456789/22385
Summary: A neural network procedure is applied to solve an ill-posed inverse problem in chemical kinetics relevant to chemical and biological areas; calculation of rate constants for the jack-bean urease denaturation by an anionic surfactant agent from experimental enzyme concentrations. The efficiency of the algorithm proposed is compared with the Simplex and the Levenberg Marquardt techniques, often used in nonlinear regression methods to solve this kind of kineticsproblem. The neural network approach is numerically stable and robust with respect to different initial guesses for the C 2012 Wileyrate constants and noises in experimental data. V Periodicals, Inc.
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spelling Borges, E .Menezes, D. C.Braga, J. P.2018-10-23T14:58:09Z2018-10-23T14:58:09Z2012-05-151097-461Xhttps://doi.org/10.1002/qua.24163http://www.locus.ufv.br/handle/123456789/22385A neural network procedure is applied to solve an ill-posed inverse problem in chemical kinetics relevant to chemical and biological areas; calculation of rate constants for the jack-bean urease denaturation by an anionic surfactant agent from experimental enzyme concentrations. The efficiency of the algorithm proposed is compared with the Simplex and the Levenberg Marquardt techniques, often used in nonlinear regression methods to solve this kind of kineticsproblem. The neural network approach is numerically stable and robust with respect to different initial guesses for the C 2012 Wileyrate constants and noises in experimental data. V Periodicals, Inc.engInternational Journal of Quantum Chemistryvolume 112, issue 19, pages 3240– 32245, may 2012Ill-posed inverse problemChemical kineticsRate constantsJack-bean urease denaturationll-posed inverse problemAn III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactantinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfinfo:eu-repo/semantics/openAccessreponame:LOCUS Repositório Institucional da UFVinstname:Universidade Federal de Viçosa (UFV)instacron:UFVORIGINALartigo.pdfartigo.pdfartigoapplication/pdf305548https://locus.ufv.br//bitstream/123456789/22385/1/artigo.pdfe40d28ab8f6d440e3c522c34b6191d17MD51LICENSElicense.txtlicense.txttext/plain; charset=utf-81748https://locus.ufv.br//bitstream/123456789/22385/2/license.txt8a4605be74aa9ea9d79846c1fba20a33MD52123456789/223852018-10-23 12:02:42.305oai:locus.ufv.br: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Repositório InstitucionalPUBhttps://www.locus.ufv.br/oai/requestfabiojreis@ufv.bropendoar:21452018-10-23T15:02:42LOCUS Repositório Institucional da UFV - Universidade Federal de Viçosa (UFV)false
dc.title.en.fl_str_mv An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
title An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
spellingShingle An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
Borges, E .
Ill-posed inverse problem
Chemical kinetics
Rate constants
Jack-bean urease denaturation
ll-posed inverse problem
title_short An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
title_full An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
title_fullStr An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
title_full_unstemmed An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
title_sort An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
author Borges, E .
author_facet Borges, E .
Menezes, D. C.
Braga, J. P.
author_role author
author2 Menezes, D. C.
Braga, J. P.
author2_role author
author
dc.contributor.author.fl_str_mv Borges, E .
Menezes, D. C.
Braga, J. P.
dc.subject.pt-BR.fl_str_mv Ill-posed inverse problem
Chemical kinetics
Rate constants
Jack-bean urease denaturation
ll-posed inverse problem
topic Ill-posed inverse problem
Chemical kinetics
Rate constants
Jack-bean urease denaturation
ll-posed inverse problem
description A neural network procedure is applied to solve an ill-posed inverse problem in chemical kinetics relevant to chemical and biological areas; calculation of rate constants for the jack-bean urease denaturation by an anionic surfactant agent from experimental enzyme concentrations. The efficiency of the algorithm proposed is compared with the Simplex and the Levenberg Marquardt techniques, often used in nonlinear regression methods to solve this kind of kineticsproblem. The neural network approach is numerically stable and robust with respect to different initial guesses for the C 2012 Wileyrate constants and noises in experimental data. V Periodicals, Inc.
publishDate 2012
dc.date.issued.fl_str_mv 2012-05-15
dc.date.accessioned.fl_str_mv 2018-10-23T14:58:09Z
dc.date.available.fl_str_mv 2018-10-23T14:58:09Z
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv https://doi.org/10.1002/qua.24163
http://www.locus.ufv.br/handle/123456789/22385
dc.identifier.issn.none.fl_str_mv 1097-461X
identifier_str_mv 1097-461X
url https://doi.org/10.1002/qua.24163
http://www.locus.ufv.br/handle/123456789/22385
dc.language.iso.fl_str_mv eng
language eng
dc.relation.ispartofseries.pt-BR.fl_str_mv volume 112, issue 19, pages 3240– 32245, may 2012
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv International Journal of Quantum Chemistry
publisher.none.fl_str_mv International Journal of Quantum Chemistry
dc.source.none.fl_str_mv reponame:LOCUS Repositório Institucional da UFV
instname:Universidade Federal de Viçosa (UFV)
instacron:UFV
instname_str Universidade Federal de Viçosa (UFV)
instacron_str UFV
institution UFV
reponame_str LOCUS Repositório Institucional da UFV
collection LOCUS Repositório Institucional da UFV
bitstream.url.fl_str_mv https://locus.ufv.br//bitstream/123456789/22385/1/artigo.pdf
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