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

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 yie...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Romanelli, Gustavo Pablo, Jios, Jorge L., Autino, Juan Carlos, Cafferata, Lázaro F. R., Castro, Eduardo A.
Formato: Articulo
Lenguaje:Inglés
Publicado: 2001
Materias:
Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/29018
http://www.hindawi.com/journals/tswj/2001/323658/abs/
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-29018
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
spellingShingle Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
Romanelli, Gustavo Pablo
Jios, Jorge L.
Autino, Juan Carlos
Cafferata, Lázaro F. R.
Castro, Eduardo A.
Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
topic_facet Ciencias Exactas
Química
β-diketones
QSRR theory
retention index
Cetonas
Cromatografía de Gases
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.
format Articulo
Articulo
author Romanelli, Gustavo Pablo
Jios, Jorge L.
Autino, Juan Carlos
Cafferata, Lázaro F. R.
Castro, Eduardo A.
author_facet Romanelli, Gustavo Pablo
Jios, Jorge L.
Autino, Juan Carlos
Cafferata, Lázaro F. R.
Castro, Eduardo A.
author_sort Romanelli, Gustavo Pablo
title Relationships between Kováts retention indices and molecular descriptors of 1-(2-hydroxy)-3-arylpropane-1,3-diones
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
publishDate 2001
url http://sedici.unlp.edu.ar/handle/10915/29018
http://www.hindawi.com/journals/tswj/2001/323658/abs/
work_keys_str_mv AT romanelligustavopablo relationshipsbetweenkovatsretentionindicesandmoleculardescriptorsof12hydroxy3arylpropane13diones
AT jiosjorgel relationshipsbetweenkovatsretentionindicesandmoleculardescriptorsof12hydroxy3arylpropane13diones
AT autinojuancarlos relationshipsbetweenkovatsretentionindicesandmoleculardescriptorsof12hydroxy3arylpropane13diones
AT cafferatalazarofr relationshipsbetweenkovatsretentionindicesandmoleculardescriptorsof12hydroxy3arylpropane13diones
AT castroeduardoa relationshipsbetweenkovatsretentionindicesandmoleculardescriptorsof12hydroxy3arylpropane13diones
bdutipo_str Repositorios
_version_ 1764820467696271361

Ejemplares similares