Computer-assisted modelling and optimisation of reversed-phase high-temperature liquid chromatographic (RP-HTLC)...

Area of Science:

• Analytical Chemistry
• Chromatography
• Separation Science

Background:

• High temperatures (above 100 °C) in reversed-phase liquid chromatography (RP-HTLC) offer significant advantages for separation.
• These advantages include improved speed, efficiency, resolution, and detectability, particularly for polar and ionizable compounds.
• The development of temperature-resistant columns and ovens makes RP-HTLC a viable routine technique.

Purpose of the Study:

• To investigate the application of high temperatures in reversed-phase liquid chromatography (RP-HTLC) for method development.
• To address the added complexity introduced by temperature as an optimization parameter in RPLC.
• To present and demonstrate the efficiency of a novel computer-assisted method development (CAMD) tool for RP-HTLC.

Main Methods:

• Development of a robust retention model capable of simulating various RP-HTLC separations.
• Integration of solvent composition gradients (isocratic, linear, curved, multilinear, stepwise) with temperature gradients (constant, linear, multilinear).
• Utilization of evolutionary algorithms to drive retention models and unattended separation optimization.

Main Results:

• Demonstrated the efficiency of the newly developed CAMD tool for RP-HTLC.
• The CAMD tool enables simulation of complex RP-HTLC separations involving combined solvent and temperature gradients.
• Evolutionary algorithms facilitate cost-effective, rapid, and user-friendly optimization processes.

Conclusions:

• RP-HTLC, when coupled with advanced CAMD tools, represents a powerful and routine separation technique.
• The developed CAMD tool effectively manages the complexity of RP-HTLC method development.
• This approach offers significant improvements in speed, efficiency, and user-friendliness for chromatographic separations.