Published:Journal of Chromatographic Science,
ISSN 0021-9665Volume
39, Number 1, January 2001, pp. 29-38
Quantitative
Structure-Retention Relationships with Model Analytes as a Means of an Objective
Evaluation of Chromatographic ColumnsMehdi
Ahmed Al-Haj[1], Roman Kaliszan[1], and Boguslaw Buszewski[2] [1]Department of Biopharmaceutics and Pharmacodynamics,
Medical University of Gdansk, Gen. J. Hallera 107, PL-80416 Gdansk, Poland and
[2]Department of Environmental Analysis, Nicolaus Copernicus University, Gagarina
7, PL-87-100 Torun, Poland
The performance
of several previously designed model series of test analytes has been tested
to characterize in an objective, quantitative manner modern stationary phases
for reversed-phase high-performance liquid chromatography (RP-HPLC) using quantitative
structure-retention relationships (QSRRs). Three QSRR approaches and three respective
series of test analytes recommended for studies of the molecular mechanism of
chromatographic retention are employed: the reduced linear solvation energy
relationship (LSER)-based model of Abraham, a model employing structural descriptors
from molecular modeling, and a model relating retention to the n-octanol–water
partition coefficient log P. All of the models and test analytes proposed provide
reliable QSRR equations. Those equations discriminate in quantitative terms
individual columns and chromatographic systems and can be interpreted in straightforward
rational chemical categories. In view of QSRRs, the differences in the intermolecular
interactions between a given stationary phase and a structurally defined analyte
rationalize the observed differences in retention. The QSRR models (previously
derived retrospectively) are demonstrated to work well on new sets of RP-HPLC
data. At the same time, it has been confirmed that the three test series of
analytes have properly been designed and can be recommended for comparative
studies of analytical columns. QSRRs once derived on a given column for model
analytes can be used to predict the retention of other analytes of a defined
structure. That in turn can facilitate the procedure of the rational optimization
of chromatographic separations.
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