An III-posed inverse problem in enzymatic kinetics: Jack-bean urease denaturation by an anionic surfactant
Main Author: | |
---|---|
Publication Date: | 2012 |
Other Authors: | , |
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. |
id |
UFV_532b14534b8c07f28473bf976a7ad8a7 |
---|---|
oai_identifier_str |
oai:locus.ufv.br:123456789/22385 |
network_acronym_str |
UFV |
network_name_str |
LOCUS Repositório Institucional da UFV |
repository_id_str |
2145 |
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 https://locus.ufv.br//bitstream/123456789/22385/2/license.txt |
bitstream.checksum.fl_str_mv |
e40d28ab8f6d440e3c522c34b6191d17 8a4605be74aa9ea9d79846c1fba20a33 |
bitstream.checksumAlgorithm.fl_str_mv |
MD5 MD5 |
repository.name.fl_str_mv |
LOCUS Repositório Institucional da UFV - Universidade Federal de Viçosa (UFV) |
repository.mail.fl_str_mv |
fabiojreis@ufv.br |
_version_ |
1801212890659684352 |