Optimisation technique for stepwise gradient elution in reversed-phase liquid chromatography

Nikitas, P.; Pappa-Louisi, A.; Papachristos, Kostas

doi:10.1016/j.chroma.2004.01.048

Cited by 52 publications

(33 citation statements)

References 24 publications

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“…The composition of the tar oil degradation products (WWP) mixture was based on a study performed by Cabooter et al [30] and consisted of (1) quinoline, (2) fluorene, (3) benzofuran, (4) 2-naphthol, (5) indene, (6) 1-indanon, (7) 9-hydroxyfluorene, (8) dibenzofuran, (9) 2-hydroxyquinoline, (10) 1-benzothiophene, (11) dibenzothiophene sulfone, (12) 2-naphthoic acid, (13) acenapthene, (14) carbazole and (15) indane. All compounds except benzothiophene were purchased from Sigma-Aldrich, Bornem, Belgium.…”

Section: Sample 1: 15 Tar Oil Degradation Productsmentioning

confidence: 99%

“…The 16 component drugs sample consisted of (1) ethinylestradiol, (2) sulfamethoxazole, (3) ibuprofen, (4) ticlopidine, (5) testosterone, (6) oxazepam, (7) estrone, (8) carbamazepine, (9) lorazepam, (10) paracetamol, (11) diclofenac, (12) caffeine, (13) zolpidem, (14) trimethoprim, (15) (British Pharmacopoeia, 2012). All compounds were dissolved to a final concentration of 50 ppm in EtOH (Sigma-Aldrich), except for component 5 and 15 which had a final concentration of 200 ppm.…”

Section: Sample 3 and 4: 14 And 16 Drugs Commonly Found In Waste Watermentioning

confidence: 99%

“…Many different stepwise or multi-isocratic gradient optimization methods have already been suggested in literature, such as overlapping separation range mapping [13], Monte-Carlo optimization [14], stationary phase optimized selectivity chromatography (SOSLC) [15], and stepwise elution chromatography through back calculation of the solvent concentration %B from R s as a function of the retention factor (as a function of %B) [16]. However, multilinear gradient optimization is mostly done in a trial-and-error fashion using simulation software such as DryLab [17,18].…”

Section: Introductionmentioning

confidence: 99%

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Enhanced selectivity and search speed for method development using one-segment-per-component optimization strategies

Tyteca

Vanderlinden

Favier

et al. 2014

Journal of Chromatography A

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a b s t r a c tLinear 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 multisegment 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.

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Section: Sample 1: 15 Tar Oil Degradation Productsmentioning

confidence: 99%

Section: Sample 3 and 4: 14 And 16 Drugs Commonly Found In Waste Watermentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Enhanced selectivity and search speed for method development using one-segment-per-component optimization strategies

Tyteca

Vanderlinden

Favier

et al. 2014

Journal of Chromatography A

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“…To speed up the method development (MD) process in chromatography, fully or semi-automated MD software programs have been developed for reversed phase liquid chromatography (RPLC) [1][2][3][4][5][6]. These automated MD strategies for RPLC described in literature are either search-based (e.g.…”

Section: Introductionmentioning

confidence: 99%

Use of individual retention modeling for gradient optimization in hydrophilic interaction chromatography: Separation of nucleobases and nucleosides

Tyteca

Guillarme

Desmet

2014

Journal of Chromatography A

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a b s t r a c tIn this study, the separation of twelve nucleobases and nucleosides was optimized via chromatogram simulation (i.e., prediction of individual retention times and estimation of the peak widths) with the use of an empirical (reversed-phase) non-linear model proposed by Neue and Kuss. Retention time prediction errors of less than 2% were observed for all compounds on different stationary phases. As a single HILIC column could not resolve all peaks, the modeling was extended to coupled-column systems (with different stationary phase chemistries) to increase the separation efficiency and selectivity. The analytical expressions for the gradient retention factor on a coupled column system were derived and accurate retention time predictions were obtained (<2% prediction errors in general). The optimized gradient (predicted by the optimization software) included coupling of an amide and an pentahydroxy functionalized silica stationary phases with a gradient profile from 95 to 85%ACN in 6 min and resulted in almost baseline separation of the twelve nucleobases and nucleosides in less than 7 min. The final separation was obtained in less than 4 h of instrument time (including equilibration times) and was fully obtained via computer-based optimization. As such, this study provides an example of a case where individual retention modeling can be used as a way to optimize the gradient conditions in the HILIC mode using a non-linear model such as the Neue and Kuss model.

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“…However, a proper separation is not always achieved within an acceptable time interval. In order to get both maximal resolution and minimal analysis time, a modifier gradient may be required to accelerate the elution of the most retained compounds [4][5][6].…”

Section: Introductionmentioning

confidence: 99%

Description of the Retention and Peak Profile for Chromolith Columns in Isocratic and Gradient Elution Using Mobile Phase Composition and Flow Rate as Factors

et al. 2014

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Abstract:The effect of the modifier concentration and flow rate on the chromatographic performance of a second generation Chromolith® RP-18e column, under isocratic and gradient elution with acetonitrile-water mixtures, was examined using four sulphonamides as probe compounds. The acetonitrile concentration was varied between 5 and 55% (v/v), and the flow rate between 0.1 and 5.0 mL/min, keeping the other factors constant. The changes in both retention and peak profile were modelled, and used to build simple plots, where the logarithm of the retention factor was represented against the modifier concentration (in gradient elution, against the initial modifier concentration), and the half-widths or widths against the retention time (in gradient elution, against the time at the column outlet). A particular plot was needed for describing the retention of each sulphonamide, but due to the similar interaction kinetics, a unique plot described the changes in the half-widths for all four sulphonamides. The changes in retention with the flow showed that allegedly in the second generation Chromolith, the column deformation observed for the first generation Chromolith, with the applied pressure at increasing flow, is decreased.

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Optimisation technique for stepwise gradient elution in reversed-phase liquid chromatography

Cited by 52 publications

References 24 publications

Enhanced selectivity and search speed for method development using one-segment-per-component optimization strategies

Enhanced selectivity and search speed for method development using one-segment-per-component optimization strategies

Use of individual retention modeling for gradient optimization in hydrophilic interaction chromatography: Separation of nucleobases and nucleosides

Description of the Retention and Peak Profile for Chromolith Columns in Isocratic and Gradient Elution Using Mobile Phase Composition and Flow Rate as Factors

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