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Prediction of chromatographic parameters for some anilines by molecular connectivity

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Summary

The possible relation existing between RF values obtained by thin-layer chromatography for a group of anilines with connectivity indices proposed by Kier and Hall has been studied. Using multivariable regression the corresponding connectivity functions, selected for their respective correlation coefficients, standard deviations, Snedecor’s F and Student’s t were obtained. Regression analysis of the connectivity functions gives a correct prediction of the experimental elution sequence for this group of substances on silica gel stationary phases and various mobile phases of different polarity. The corresponding random and stability studies of the different prediction models selected were carried out, showing good stability and null randomness in all cases.

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Authors and Affiliations

  1. Unit of Drug-design and Molecular Connectivity Investigation, Department of Physical Chemistry, Faculty of Pharmacy, University of Valencia, Avenida Vicente Andrés Estellés s/n, 46100, Burjassot (Valencia), Spain

    F. Pérez-Giménez, G. M. Antón-Fos, F. J. García-March, M. T. Salabert-Salvador, R. A. Cercós-del-Pozo & J. Jaén-Oltra

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  1. F. Pérez-Giménez
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  2. G. M. Antón-Fos
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  3. F. J. García-March
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  4. M. T. Salabert-Salvador
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  5. R. A. Cercós-del-Pozo
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  6. J. Jaén-Oltra
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Pérez-Giménez, F., Antón-Fos, G.M., García-March, F.J. et al. Prediction of chromatographic parameters for some anilines by molecular connectivity. Chromatographia 41, 167–174 (1995). https://doi.org/10.1007/BF02688019

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  • DOI: https://doi.org/10.1007/BF02688019

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