Optimization of IC separation based on isocratic-to-gradient retention modeling in combination with sequential searching or evolutionary algorithm

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. © 2013 šime ukić et al.