Robustness assessment in computer-assisted liquid chromatography procedures based on desirability functions.

Area of Science:

• Analytical Chemistry
• Chromatography
• Method Development

Background:

• Robustness is crucial for reliable analytical methods in routine practice.
• Computer-assisted methods development requires robust assessment strategies.
• Existing methods may not efficiently predict chromatographic separation robustness.

Purpose of the Study:

• To present a novel desirability function-based approach for assessing liquid chromatographic separation robustness.
• To evaluate the robustness of chromatographic procedures before experimental validation.
• To reduce experimental effort in method development.

Main Methods:

• Utilized desirability functions to assess robustness.
• Simulated chromatograms with variations in operational variables.
• Calculated overall desirability values based on peak position stability.
• Integrated with Pareto optimality for pre-experimental solution testing.

Main Results:

• The proposed method provides a normalized robustness value (0-1) for easy interpretation.
• High desirability values indicate robust separations, while low values signal lack of robustness.
• Demonstrated significant reduction in experimental effort when combined with Pareto optimality.

Conclusions:

• The desirability function approach effectively assesses the robustness of liquid chromatographic separations.
• This method aids in selecting reliable methods early in the development process.
• Applicable to various chromatographic separations, with examples in reversed-phase liquid chromatography.