Automated off-line optimisation of programmed elutions in reversed-phase high-performance liquid chromatography using ternary solvent mixtures

Martínez-Pontevedra, J.A.; Pensado, L.; Casais, M.C.; Cela, R.

doi:10.1016/j.aca.2003.09.044

Cited by 21 publications

(6 citation statements)

References 32 publications

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“…Alternatively, linear and nonlinear gradients can be approximated by stepwise gradients consisting of p equidistant steps, where p is a relatively great number. Cela et al [29,30] propose p = 11, however in a recent paper we found that good results are obtained when p is of the order of 100 [31]. Under this approximation, the retention time, t R , is calculated from [32] …”

Section: Gradients Of U At Constant Tmentioning

confidence: 94%

Combined effect of temperature and organic modifier concentration on the retention under single mode gradient conditions in reversed‐phase HPLC

Pappa-Louisi¹,

Nikitas²,

Zisi³

et al. 2008

J of Separation Science

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The combined effect of temperature, T, and organic modifier concentration, phi, on the retention under gradient conditions in RPLC is studied by considering, both theoretically and experimentally gradients, of phi at constant T and gradients of T at constant phi. Two approaches are examined: in the first approach the prediction of the elution time of a sample solute is based on the isocratic/isothermal properties of this solute. The second approach is based on a direct fitting procedure of a proper retention model to 2-D isocratic/T-gradient or isothermal/phi-gradient retention data. These approaches were tested using alkylbenzes in eluting systems modified by ACN. We found that both approaches can give excellent predictions under certain prerequisites. However, the first approach exhibits the notable advantage that it can be used effectively to predict retention times under any kind of phi-gradients at constant T or T-gradients at constant phi. The second approach has the advantage that it is relatively simple but its applicability is very restricted since its predictions are satisfactory only if the gradients are of the same kind with those used in the fitting procedure and the conditions lie within those used for fitting.

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Section: Gradients Of U At Constant Tmentioning

confidence: 94%

Combined effect of temperature and organic modifier concentration on the retention under single mode gradient conditions in reversed‐phase HPLC

Pappa-Louisi¹,

Nikitas²,

Zisi³

et al. 2008

J of Separation Science

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“…In the above examples, we demonstrate that it is possible to optimize HPLC analysis without the need of complex algorithm [ 4 , 9 , 10 ]. Indeed, each chromatographic parameter (retention time, peak height, peak area, asymmetry factor, etc.)…”

Section: Resultsmentioning

confidence: 99%

“…Currently, the use of complex evolutionary algorithm and computer simulation [ 4 , 9 , 10 ] are the rule. A review [ 11 ] gives details on the mathematical treatment for each particular optimization strategy (total, partial, and specific strategies, deconvolution-oriented optimization and robustness).…”

Section: Introductionmentioning

confidence: 99%

Selection of adequate optimization criteria in chromatographic separations

Vanbel

Schoenmakers

2009

Anal Bioanal Chem

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Computer-assisted optimization of chromatographic separations is still a fruitful activity. In fact, advances in computerized data handling should make the application of systematic optimization strategies much easier. However, in most contemporary applications, the optimization criterion is not considered to be a key issue (Vanbel, J Pharm Biomed, 21:603-610, 1999). In this paper, an update of the importance of selecting adequate criteria in chromatographic separation is presented.

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“…The manipulation of the mobile phase composition for control of retention and/or selectivity in reversed‐phase liquid chromatography (RP‐LC) is now well established. Fine‐tuning of difficult separations is possible using ternary mobile phases in either isocratic 1–5 or gradient elution mode 6–10. However, the commonly used organic modifiers in RP‐LC systems are methanol (MeOH) and acetonitrile (MeCN) and only few publications, to our knowledge, focused on enhancing the selectivity using some relatively uncommon organic modifiers 11–15.…”

Section: Introductionmentioning

confidence: 99%

Retention prediction in reversed‐phase liquid chromatography systems with methanol/water mobile phases containing different alkanols as additives

Pappa-Louisi

Agrafiotou

Fasoula

2011

J of Separation Science

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In an effort to gain enhancement of selectivity in reversed-phase liquid chromatography, retention was tuned in this study by introducing short and medium straight-chained-length alkanol additives (methanol (MeOH), ethanol, 1-propanol, 1-butanol, 1-pentanol, 1-hexanol or 1-heptanol) at low concentrations in mobile phases containing MeOH as the main organic solvent. A six-parameter retention model considering simultaneously the contents of the main organic modifier and of the alcohol additive as well as of the number of alkyl chain of additive was developed by a direct combination of equations expressing separately a linear dependence of the retention upon each of these factors. The effectiveness of the above model was tested in the retention prediction of a mixture of six alkylbenzenes under isocratic conditions with mobile phases containing as an additive any member of the homologues series of alkanols (with 1-7 carbon atoms) at different low concentrations in a wide range of MeOH-water mixtures. The prediction was excellent in all cases even when the alkanol additives used in experiments for the fitting procedure are different than those used in chromatographic runs done for testing the prediction ability of the proposed model.

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Automated off-line optimisation of programmed elutions in reversed-phase high-performance liquid chromatography using ternary solvent mixtures

Cited by 21 publications

References 32 publications

Combined effect of temperature and organic modifier concentration on the retention under single mode gradient conditions in reversed‐phase HPLC

Combined effect of temperature and organic modifier concentration on the retention under single mode gradient conditions in reversed‐phase HPLC

Selection of adequate optimization criteria in chromatographic separations

Retention prediction in reversed‐phase liquid chromatography systems with methanol/water mobile phases containing different alkanols as additives

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