Article (Scientific journals)
Enhanced selectivity and search speed for method development using one-segment-per-component optimization strategies
Tyteca, Eva; Vanderlinden, K.; Favier, M. et al.
2014In Journal of Chromatography. A, 1358, p. 145-154
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Keywords :
Gradient optimization; LSS model; Method development; Multi-segment gradients; Non-linear retention model; Retention modeling; Algorithms; Liquid chromatography; Optimization; Gradient liquid chromatography; Individual components; Multi-segment; Optimization strategy; Reversed phase liquid-chromatography; Curricula; Chromatography, Reverse-Phase; Computer Simulation; Models, Statistical; Petroleum; Waste Water
Abstract :
[en] Linear gradient programs are very frequently used in reversed phase liquid chromatography to enhance the selectivity compared to isocratic separations. Multi-linear gradient programs on the other hand are only scarcely used, despite their intrinsically larger separation power. Because the gradient-conformity of the latest generation of instruments has greatly improved, a renewed interest in more complex multi-segment gradient liquid chromatography can be expected in the future, raising the need for better performing gradient design algorithms. We explored the possibilities of a new type of multi-segment gradient optimization algorithm, the so-called "one-segment-per-group-of-components" optimization strategy. In this gradient design strategy, the slope is adjusted after the elution of each individual component of the sample, letting the retention properties of the different analytes auto-guide the course of the gradient profile. Applying this method experimentally to four randomly selected test samples, the separation time could on average be reduced with about 40% compared to the best single linear gradient. Moreover, the newly proposed approach performed equally well or better than the multi-segment optimization mode of a commercial software package. Carrying out an extensive in silico study, the experimentally observed advantage could also be generalized over a statistically significant amount of different 10 and 20 component samples. In addition, the newly proposed gradient optimization approach enables much faster searches than the traditional multi-step gradient design methods. © 2014 Elsevier B.V.
Disciplines :
Chemistry
Author, co-author :
Tyteca, Eva ;  Université de Liège > Agronomie, Bio-ingénierie et Chimie (AgroBioChem) > Analyse, qual. et risques - Labo. de Chimie analytique
Vanderlinden, K.;  Department of Chemical Engineering (CHIS-IR), Vrije Universiteit Brussel, Belgium
Favier, M.;  UCB Pharma, Belgium
Clicq, D.;  UCB Pharma, Belgium
Cabooter, D.;  Department of Pharmaceutical Analysis, Katholieke Universiteit Leuven, Belgium
Desmet, G.;  Department of Chemical Engineering (CHIS-IR), Vrije Universiteit Brussel, Belgium
Title :
Enhanced selectivity and search speed for method development using one-segment-per-component optimization strategies
Publication date :
2014
Journal title :
Journal of Chromatography. A
ISSN :
0021-9673
eISSN :
1873-3778
Publisher :
Elsevier
Volume :
1358
Pages :
145-154
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 30 March 2017

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