Quantitative structure-retention (property) relationships in micellar electrokinetic chromatography

Area of Science:

• Analytical Chemistry
• Chromatography
• Chemometrics

Background:

• Quantitative structure-retention relationships (QSRRs) and quantitative structure-property relationships (QSPRs) link molecular structure to chromatographic behavior and properties.
• These methods are increasingly applied to advanced separation techniques like micellar electrokinetic chromatography (MEKC) and microemulsion electrokinetic chromatography (MEEKC).

Purpose of the Study:

• To review the application of QSRR and QSPR in MEKC and MEEKC.
• To critically discuss the use of system constants and structure-generated descriptors for modeling retention.
• To assess the potential and limitations of these chemometric approaches in chromatography.

Main Methods:

• Review of existing literature on QSRR and QSPR in MEKC and MEEKC.
• Assembly and discussion of a database of system constants for the solvation parameter model.
• Analysis of structure-generated descriptors for retention modeling.

Main Results:

• The study reviews the use of surfactants, vesicles, and liposomes in MEKC and MEEKC.
• Interpretation of solvation properties of micellar pseudophases is discussed.
• Comparison of structure-generated descriptors with experimental techniques is presented.

Conclusions:

• The potential of QSRR and QSPR in MEKC and MEEKC is significant but largely untapped.
• Reliable and robust models for diverse compounds require further development and validation.
• Continued research is essential to fully realize the predictive power of these techniques in chromatography.