Determination of the free energy of adsorption and the surface area of adsorption of some carboxamide derivatives by normal phase thin-layer chromatography

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Abstract

The free energy of adsorption (S), and the surface area of adsorption (AS) on silica and alumina surfaces of 17 carboxamide fungicides was determined by thin-layer chromatography (TLC) using silica and alumina stationary phases. The relationships between the measured physicochemical parameters of analytes and the relationships between these parameters and 29 computed physicochemical characteristics were calculated by linear regression analysis and the Fisher's test. It was found that the adsorption characteristics of stationary phases are significantly different while the similar parameters of carboxamide derivatives showed marked similarities. It was further established that in the majority of cases the computed and measured physicochemical parameters are not correlated. This finding indicates that the free energy of adsorption and the surface area of adsorption can be used as new independent variables in both Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Retention Relationship (QSRR) studies.

Original languageEnglish
Pages (from-to)785-790
Number of pages6
JournalJournal of Liquid Chromatography and Related Technologies
Volume34
Issue number10-11
DOIs
Publication statusPublished - Jun 2011

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Thin layer chromatography
Thin Layer Chromatography
Free energy
Adsorption
Derivatives
Aluminum Oxide
Silicon Dioxide
Fungicides
Quantitative Structure-Activity Relationship
Linear regression
Regression analysis
Linear Models
Regression Analysis

ASJC Scopus subject areas

  • Analytical Chemistry
  • Pharmaceutical Science
  • Biochemistry
  • Clinical Biochemistry

Cite this

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abstract = "The free energy of adsorption (S), and the surface area of adsorption (AS) on silica and alumina surfaces of 17 carboxamide fungicides was determined by thin-layer chromatography (TLC) using silica and alumina stationary phases. The relationships between the measured physicochemical parameters of analytes and the relationships between these parameters and 29 computed physicochemical characteristics were calculated by linear regression analysis and the Fisher's test. It was found that the adsorption characteristics of stationary phases are significantly different while the similar parameters of carboxamide derivatives showed marked similarities. It was further established that in the majority of cases the computed and measured physicochemical parameters are not correlated. This finding indicates that the free energy of adsorption and the surface area of adsorption can be used as new independent variables in both Quantitative Structure Activity Relationship (QSAR) and Quantitative Structure Retention Relationship (QSRR) studies.",
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