title: Error analysis and performance of different retention models in the transference of data from/to isocratic/gradient elution.
abstract: The transferability of retention data among isocratic and gradient RPLC elution modes is studied. For this purpose, 16 beta-blockers were chromatographed under both isocratic and gradient elution with acetonitrile-water mobile phases. Taking into account the elution mode where the experimental data come from, and the mode where the retention should be predicted, the following combinations are possible: isocratic predictions from (i) isocratic or (ii) gradient experimental designs; and gradient predictions from (iii) isocratic or (iv) gradient data. Each of these possibilities was checked using three retention models that relate the logarithm of the retention factor: (a) linearly and (b) quadratically with the volume fraction of organic solvent, and (c) linearly with a normalised mobile phase polarity parameter. The study was carried out under two different perspectives: a straightforward examination of the prediction errors and the analysis of the uncertainties derived from the variance-covariance matrix of the fitted models. The best combinations of prediction mode and model were: (i)-(b), (ii)-(c), (iii)-(b), and (iv)-(a) or (c).
authors: Departamento de Química Analítica, Universitat de València, c/Dr. Moliner 50, 46100 Burjassot, Spain.
authors: G
authors: G
authors: Vivó-Truyols
authors: J R
authors: JR
authors: Torres-Lapasió
authors: M C
authors: MC
authors: García-Alvarez-Coque
mesh_terms: D002853:Chromatography, Liquid / Q000379:methods*; D016001:Confidence Intervals