RESUMEN
Present paper deals with the examination of Balaban F and G indices for estimating (13)C NMR chemical shift sums of alkanes. Set of 66 alkanes were used for this purpose, which have been divided into training set (50 compounds) and test set (16 compounds). The results have shown that Balaban G Index along with connectivity indices yields the best model. The model is analyzed for the defect due to colinearity using Ridge parameters. The most appropriate model is a three-parametric model found containing [Formula: see text], [Formula: see text], and G as correlating parameters. The results have been critically examined based on variety of statistical parameters.
Asunto(s)
Alcanos/química , Espectroscopía de Resonancia Magnética con Carbono-13 , Modelos Moleculares , Modelos Estadísticos , Estructura Molecular , Relación Estructura-ActividadRESUMEN
The paper describes synthesis and antibacterial study of biologically active Mannich bases of carboxamide derivative employing Mannich reaction of 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a pentahydroxy naphthacene carboxamide with various sulfonamides/secondary amines . They were analysed by elemental analysis and characterized by UV, IR and (1)H NMR spectroscopic studies. The Mannich bases were screened for antibacterial activity against various gram-negative bacteria at various concentrations and were analysed statistically. The result has shown that the compounds are quite active against pathogens under study and were non-toxic. All the synthesized compounds were found to be low lethal as ascertained by LD50 test.