INVESTIGADORES
ROMANELLI Gustavo Pablo
artículos
Título:
Relationships between Kovats Retention Indices and Molecular Descriptors of 1-(2-Hydroxy)-3-Arylpropane-1,3-Diones
Autor/es:
GUSTAVO P. ROMANELLI; JORGE L. JIOS; JUAN C. AUTINO; LÁZARO F. R. CAFFERATA; EDUARDO A. CASTRO
Revista:
The Scientific World Journal
Editorial:
The Scientific World Journal
Referencias:
Año: 2001 vol. 1 p. 897 - 905
ISSN:
1532-2246
Resumen:
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.
