Comparison of Chromatographic Stationary Phases Using a Bayesian-Based Multilevel Model

Herein, we used a Bayesian multilevel model of chromatographic retention to compare five reversed-phase high-performance liquid chromatography stationary phases: XBridge Shield RP18, XTerra MS C18, XBridge Phenyl, XBridge C8, and Xterra MS C8. For this, we used a large data set of retention times collected using chromatographic techniques coupled with mass spectrometry. The experiments were conducted in gradient mode for an initial mixture of 300 small analytes for a wide range of pH values in methanol and acetonitrile at two temperatures and for three gradient durations. Our analysis was based on a mechanistic model derived from the principles and fundamentals of liquid chromatography and utilized previously reported chromatographic parameters. The data and model were used to characterize the between-column differences in the chromatographic parameters of the neutral, acidic, and basic analytes. The analysis provides an interpretable summary of stationary-phase properties that can be used in decision-making, i.e., finding the best chromatographic conditions using limited experimental data. The proposed approach is an interesting alternative to the existing approaches used to compare chromatographic stationary phases.