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Calculation of chromatographic properties of barbiturates by molecular topology

Calculation of chromatographic properties of barbiturates by molecular topology A study has been made of the relationship between the R F values obtained by thin layer chromatography for a group of barbiturates and the connectivity indices proposed by Kier and Hall. By using multivariable regression we obtained the corresponding connectivity functions, which were selected on the basis of their respective statistics parameters. The regression analysis of the connectivity functions shows a correct prediction of the experimental elution sequence for this group of molecules on silicagel with two mobile phases of different polarity. The corresponding random and stability studies of the different prediction models selected were carried out, demonstrating good stability and null randomness in all cases. The results also demonstrated that different structural features determine the R F values in TLC of barbiturates. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Chromatographia Springer Journals

Calculation of chromatographic properties of barbiturates by molecular topology

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Publisher
Springer Journals
Copyright
Copyright © 1995 by Friedr. Vieweg & Sohn Verlagsgesellschaft mbH
Subject
Chemistry; Analytical Chemistry; Organic Chemistry; Biochemistry, general; Plant Sciences; Pharmacy; Measurement Science, Instrumentation
ISSN
0009-5893
eISSN
1612-1112
DOI
10.1007/BF02267808
Publisher site
See Article on Publisher Site

Abstract

A study has been made of the relationship between the R F values obtained by thin layer chromatography for a group of barbiturates and the connectivity indices proposed by Kier and Hall. By using multivariable regression we obtained the corresponding connectivity functions, which were selected on the basis of their respective statistics parameters. The regression analysis of the connectivity functions shows a correct prediction of the experimental elution sequence for this group of molecules on silicagel with two mobile phases of different polarity. The corresponding random and stability studies of the different prediction models selected were carried out, demonstrating good stability and null randomness in all cases. The results also demonstrated that different structural features determine the R F values in TLC of barbiturates.

Journal

ChromatographiaSpringer Journals

Published: Dec 1, 1995

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