Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones

Autores
Romanelli, Gustavo Pablo; Jios, Jorge L.; Autino, Juan Carlos; Cafferata, Lázaro F. R.; Castro, Eduardo A.
Año de publicación
2001
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Experimental and theoretical results for retention index of a set of 20 beta-diketones are given. The quantitative structure-chromatographic retention relationships (QSRR) theory is employed and six molecular descriptors are chosen to compute the fitting polynomials. Multiple regression analysis yields satisfactory results when one resorts to several variables equations, instead of computing just one-variable formulae. Average absolute deviations from experimental results are rather low, which seems to point out the suitability of the present approach.
Facultad de Ciencias Exactas
Materia
Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/3.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/29018
Acceder
id SEDICI_3b1103cf536db2ef0da0f1dc06235cbf
oai_identifier_str oai:sedici.unlp.edu.ar:10915/29018
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-dionesRomanelli, Gustavo PabloJios, Jorge L.Autino, Juan CarlosCafferata, Lázaro F. R.Castro, Eduardo A.Ciencias ExactasQuímicaβ-diketonesQSRR theoryretention indexCetonasCromatografía de GasesExperimental and theoretical results for retention index of a set of 20 beta-diketones are given. The quantitative structure-chromatographic retention relationships (QSRR) theory is employed and six molecular descriptors are chosen to compute the fitting polynomials. Multiple regression analysis yields satisfactory results when one resorts to several variables equations, instead of computing just one-variable formulae. Average absolute deviations from experimental results are rather low, which seems to point out the suitability of the present approach.Facultad de Ciencias Exactas2001info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf897-905http://sedici.unlp.edu.ar/handle/10915/29018enginfo:eu-repo/semantics/altIdentifier/url/http://www.hindawi.com/journals/tswj/2001/323658/abs/info:eu-repo/semantics/altIdentifier/issn/1537-744Xinfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/3.0/Creative Commons Attribution 3.0 Unported (CC BY 3.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T10:57:13Zoai:sedici.unlp.edu.ar:10915/29018Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 10:57:13.341SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
title Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
spellingShingle Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
Romanelli, Gustavo Pablo
Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
title_short Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
title_full Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
title_fullStr Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
title_full_unstemmed Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
title_sort Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
dc.creator.none.fl_str_mv Romanelli, Gustavo Pablo
Jios, Jorge L.
Autino, Juan Carlos
Cafferata, Lázaro F. R.
Castro, Eduardo A.
author Romanelli, Gustavo Pablo
author_facet Romanelli, Gustavo Pablo
Jios, Jorge L.
Autino, Juan Carlos
Cafferata, Lázaro F. R.
Castro, Eduardo A.
author_role author
author2 Jios, Jorge L.
Autino, Juan Carlos
Cafferata, Lázaro F. R.
Castro, Eduardo A.
author2_role author
author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
topic Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
dc.description.none.fl_txt_mv Experimental and theoretical results for retention index of a set of 20 beta-diketones are given. The quantitative structure-chromatographic retention relationships (QSRR) theory is employed and six molecular descriptors are chosen to compute the fitting polynomials. Multiple regression analysis yields satisfactory results when one resorts to several variables equations, instead of computing just one-variable formulae. Average absolute deviations from experimental results are rather low, which seems to point out the suitability of the present approach.
Facultad de Ciencias Exactas
description Experimental and theoretical results for retention index of a set of 20 beta-diketones are given. The quantitative structure-chromatographic retention relationships (QSRR) theory is employed and six molecular descriptors are chosen to compute the fitting polynomials. Multiple regression analysis yields satisfactory results when one resorts to several variables equations, instead of computing just one-variable formulae. Average absolute deviations from experimental results are rather low, which seems to point out the suitability of the present approach.
publishDate 2001
dc.date.none.fl_str_mv 2001
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/29018
url http://sedici.unlp.edu.ar/handle/10915/29018
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.hindawi.com/journals/tswj/2001/323658/abs/
info:eu-repo/semantics/altIdentifier/issn/1537-744X
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/3.0/
Creative Commons Attribution 3.0 Unported (CC BY 3.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/3.0/
Creative Commons Attribution 3.0 Unported (CC BY 3.0)
dc.format.none.fl_str_mv application/pdf
897-905
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
_version_ 1844615833703153664
score 13.070432

Publicaciones similares