Applicability of retention modelling in hydrophilic-interaction liquid chromatography for algorithmic optimization...

Area of Science:

• Analytical Chemistry
• Chromatography

Background:

• Accurate retention models are crucial for computer-aided method development in chromatography.
• Hydrophilic-interaction chromatography (HILIC) requires reliable models for predicting analyte behavior.

Purpose of the Study:

• To evaluate the performance of five retention models in HILIC.
• To identify the most robust model for predicting HILIC retention across diverse analytes.

Main Methods:

• Assessed five different retention models for HILIC.
• Developed gradient-elution equations, using Simpson's Rule for integration.
• Evaluated prediction accuracy for various compound classes and stationary phases.

Main Results:

• The adsorption model demonstrated the most robust performance for most compound classes.
• Prediction accuracy varied by analyte class (peptides least accurate) and stationary phase (diol better than amide).
• The two-parameter adsorption model showed good results with only two gradients.

Conclusions:

• The two-parameter adsorption model is recommended as the primary choice for describing and predicting HILIC retention.
• Its accuracy and linearity make it suitable for computer-aided method development.
• Other models should be considered only after validating specific applicability.