Chemometric analysis of retention data from salting-out thin-layer chromatography in relation to structural parameters and biological activity of chosen sulphonamides

• Published in: Journal of chromatography. B, Analytical technologies in the biomedical and life sciences Vol. 846; no. 1; pp. 334 - 340
• Main Authors: Flieger, J., Świeboda, R., Tatarczak, M.
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 01-02-2007; Elsevier Science
• Subjects: Analysis; Analytical, structural and metabolic biochemistry; Biological and medical sciences; Chromatography, Thin Layer - methods; Cluster analysis; Fundamental and applied biological sciences. Psychology; General pharmacology; Medical sciences; Pharmacology. Drug treatments; Quantitative Structure-Activity Relationship; Quantitative structure–retention relationships; Salting-out thin-layer chromatography; Sulfonamides - analysis; Sulfonamides - chemistry; Sulfonamides - pharmacology; Sulphonamides; Cluster analysis; Sulphonamides; Quantitative structure–retention relationships; Salting-out thin-layer chromatography; Sulfanilamide derivatives; Thin layer chromatography; Quantitative structure-retention relationships; Data analysis; Sulfonamide; Chromatographic retention; Salting out; Biological activity; Chemometrics
• ISSN: 1570-0232; 1873-376X
• DOI: 10.1016/j.jchromb.2006.08.028

Salting-out thin-layer chromatography of several chosen sulphonamides on silica gel has been examined with aqueous solutions of salts: sulphates, chlorides, nitrates, phosphates, acetates, thiocyanates. It was established that applied salts have different effects on retention of sulphonamides accordingly to Hofmeister's clasification (e.g. kosmotropes, chaotropes and neutral).
The parameters of the linear regression analysis of dependences between the
R
M values and concentration of the salt in the eluent system were correlated with QSAR ones. It appeared that chromatographic parameters obtained by SOTLC method reflect not only physico-chemical properties of examined compounds but also they include information about their activity. 3D graph revealing pharmacological properties of analytes was constructed. Universal character of this method for predicting and classification of drug containing sulphonamide group was confirmed by localisation of additional compounds structurally similar but acting antagonistically towards sulphonamides.