Optimization of gradient profiles in ion-exchange chromatography using computer simulation programs

Simplex optimization: A tutorial approach and recent applications in analytical chemistry

“…Volumetric and chemicals variables [42] Eighteen organic and inorganic ions Standard solutions Ion exchange chromatography Parameters describing profile for the isocratic separation in ion chromatography [43] Risperidone, 9-hydroxyrisperidone, monoamine and amino acid neurotransmitters…”

“…A chromatographic procedure using gradient elution in ionexchange chromatography was optimized using a basic simplex [43]. Specific software was applied to model the behavior of the chromatographic peaks.…”

Computer-assisted multi-segment gradient optimization in ion chromatography

“…Appropriate algorithms are therefore needed to facilitate the search for the optimal conditions among the very large number of potential eluent compositions. Several strategies for retention simulation [6,7] and gradient optimization, such as a grid search [8] and Simplex optimization [9], have been reported in literature over the years.…”

Interpretative optimization of the isocratic ion chromatographic separation of anions

“…Separation of anions can be performed by either isocratic or gradient elution. Optimization of gradient IC elution is well-favored for separating complex mixtures with a wide retention range, 1,2 whereas with isocratic elution a compromise has to be found that leads to a good separation in an acceptable time. 3 There are several advantages to the use of isocratic elution: relatively simple equipment is required, without the need 662 TODOROVIĆ, RAJAKOVIĆ and ONJIA for column re-equilibration after every IC run, low baseline drift, and relatively few parameters need to be optimized.…”

“…Such methods can frequently require a very large number of experiments to identify the optimal conditions. 6 Recently, the computer-assisted IC separation has addressed this problem, using factorial design (FD), 7 8 -9 simplex method 1 or neural network approach. 10,11 Artificial neural network (ANN) modelling has ability to predict separation with no prior knowledge of the retention model.…”