Optimization of IC Separation Based on Isocratic-to-Gradient Retention Modeling in Combination with Sequential Searching or Evolutionary Algorithm

الملخص EN

Gradient ion chromatography was used for the separation of eight sugars: arabitol, cellobiose, fructose, fucose, lactulose, melibiose, N-acetyl-D-glucosamine, and raffinose.

The separation method was optimized using a combination of simplex or genetic algorithm with the isocratic-to-gradient retention modeling.

Both the simplex and genetic algorithms provided well separated chromatograms in a similar analysis time.

However, the simplex methodology showed severe drawbacks when dealing with local minima.

Thus the genetic algorithm methodology proved as a method of choice for gradient optimization in this case.

All the calculated/predicted chromatograms were compared with the real sample data, showing more than a satisfactory agreement.