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

基于等度-梯度保留模型结合顺序搜索或进化算法的 IC 分离优化

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作者:Sime Ukić, Marko Rogošić, Mirjana Novak, Ena Simović, Vesna Tišler, Tomislav Bolanča

Abstract

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.

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