Wyniki wyszukiwania - BazTech

Ograniczanie wyników

1 Acta Chromatographica

1 1998

Znaleziono wyników: 1

Liczba wyników na stronie

Wyniki wyszukiwania

Wyszukiwano:
w słowach kluczowych: retention data

Sortuj według:

Ogranicz wyniki do:

Chemometric analysis of retention data from high-performance liquid chromatography - structural parameters and biological activity of sulphonamides

Bober L., Nasal A., Kuchta A., Kaliszan R.

Acta Chromatographica

1998

No. 8

48-69

High-performance liquid chromatographic (HPLC) retention data measured for 12 sulphonamides on Nucleosil 100-5-C18 octadecylsilica, Spherisorb S5-C1 trimethylsilane-bonded silica and Spheri-10 Anion AX-MP have been analysed. Multivariate analysis was used for quantitative correlation of the capacity factors of the solutes with structural information extracted from 48 molecular descriptors, including UV-spectroscopic parameters, quantum chemical indices, calculated log P, molar refractivity, magnetic susceptibility, electronegativity, a parameter reflecting electron donor-acceptor properties of the solutes, pKa and information-content indices. The first two principal components obtained by factor analysis of 28 descriptors of the highest statistical significance seemed meaningful for the description of retention. Most important for retention on the stationary phases tested were structural parameters reflecting the capacity of solutes to participate in non-specific (dispersive) intermolecular interactions. The distribution of individual drugs on the plane determined by the first two factor axes produced patterns in good agreement with the established classification of sulphonamides according to their pharmacokinetic properties. Multivariate analysis of structural descriptors was shown to furnish systematic information about the drugs; this information was useful both for explaining the mechanism of separation and predicting the pharmacokinetic properties of the sulphonamides.