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Volume 3 Number 8 August 2018

Prediction of Dielectric Constant (є) for Phenol substituted, Using Quantitative Structure-Property Relationship (QSPR)


Authors: Sadiq M. H. Ismael ; Wisam A. Radhi ; Kawkab A. Hussain
Pages: 72-77
Abstract
Quantitative structure–property relationship (QSPR) model is explored for the prediction of dielectric constant (ε) of phenol compounds. Six QSPR models for the expression of dielectric constant have been drawn up by employ the multiple regression approach. (Eqs 1-6) with the values of R2 range from 0.717-0.9061, Ra2 range from 0.7021-0.87253and the values of S range from 5.390-3.524166, while the values of F range from 45.786-27.046689. The results show excellent model by Eq 5 with high of R2, Ra2, F and minimum S by using five  parameters [LogP, LUMO, HE,  HOMO and D.M],was found and indicate that these parameters have important role in determining the value of dielectric constant.

Characterization by GC-MS of Chemical Components of Pistils with Pollen from Talipariti Elatum Sw. (Fryxell) Malvaceae


Authors: Jos? Gonz?lez ; Pilar A. Soledispa ; Armando Cu?llar ; Julio Perez ; Max Monan
Pages: 65-71
Abstract
Gas chromatography (GC) is an analytical technique widely applied to the analysis of mixtures of organic compounds. Ethanolic extract of pistils with pollen from the flowers of Talipariti elatum Sw. was analyzed by GC-MS using a GCMS-QP2010 Ultra Shimadzu and the mass spectra of the compounds found in the extract was matched with the National Institute of Standards and Technology (NIST) library. Gas Chromatography Mass Spectrometry (GC-MS) analysis revealed the presence of 280 compounds and from them, 134 chemical components were characterized and reported for the first time from this part of the plant Talipariti elatum. Our results demonstrate the developed method could be employed as a rapid and versatile analytical technique for identification of chemical constituents and quality control of Talipariti elatum samples.