Introduction of multi-criteria decision making in optimization procedures for high-performance liquid chromatographic separations

Smilde, Age K.; Knevelman, A.; Coenegracht, P.M.J.

doi:10.1016/s0021-9673(00)90093-1

Cited by 104 publications

(26 citation statements)

References 7 publications

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“…For better understanding of the typical factors which govern the retention, a complementary set of experiments as fold-over design was performed (Table II, experiments [13][14][15][16][17][18][19][20]. This represents a fold-over of the previous design and is obtained by changing the sign of the three last columns of the fractional design.…”

Section: Fold-over Fractional Factorial Designmentioning

confidence: 99%

“…In order to optimize the time of the chromatographic analysis and the resolution, chemometric methods of experimental design, multivariate analysis, and multi-criteria decision-making (Pareto-optimality) [17] were employed. The six experimental variables considered were SDS concentration; the organic modifier concentration, Cm; the alkyl chain length of organic modifier, N; pH of the mobile phase, flow rate Fl, and type of column.…”

Section: Introductionmentioning

confidence: 99%

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Chemometrically optimized micellar liquid chromatographic method for the simultaneous determination of cetirizine dihydrochloride in its combined dosage forms. Application to biological fluids and pharmacokinetic studies

El-Din¹,

Ibrahim²,

Eid³

et al. 2013

Acta Chromatographica

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Abstract. An accurate, simple, sensitive, and selective micellar liquid chromatographic method has been developed for the simultaneous determination of cetirizine dihydrochloride in two of its combined pharmaceutical preparations with psudoephedrine hydrochloride and/or paracetamol. The chemometrics approach was applied for the optimization of separation of the studied drugs to optimize their separation; the effect of six experimental parameters on retention was investigated by means of multivariate analysis. Separation was conducted using an ODS C18 (150 × 4.6 mm id) stainless steel column at ambient temperature with UV-detection at 250 nm. A mobile phase composed of 0.135 M sodium dodecyl sulphate, 11% 1-propanol, 0.3% tri-ethylamine in 0.02 M phosphoric acid, and adjusted to pH 3.3 has been used at a flow rate of 1 mL/min. Regression models were characterized by both descriptive and predictive ability (R 2 ≥ 98.8% and R 2 cv ≥ 94.5%) and allowed the chromatographic separation of the drugs with a good resolution and a total analysis time within 6 min.The calibration curves were rectilinear over the concentration ranges of 0.05-1.0, 0.07-4.0, and 1.0-10.0 μg/mL for cetirizine dihydrochloride, psudoephedrine hydrochloride, and paracetamol respectively; with detection limits of 0.01, 0.05, and 0.08 μg/mL, and quantification limits of 0.04, 0.09, and 1.02 μg/mL, respectively. The results obtained were in good agreement with those obtained by the comparison method. Furthermore, the method was applied for the determination of the drugs in spiked human plasma and used to reveal the pharmacokinetic characters in a healthy volunteer treated with oral administration of the studied two combined dosage forms of cetirizine.

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Section: Fold-over Fractional Factorial Designmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Chemometrically optimized micellar liquid chromatographic method for the simultaneous determination of cetirizine dihydrochloride in its combined dosage forms. Application to biological fluids and pharmacokinetic studies

El-Din¹,

Ibrahim²,

Eid³

et al. 2013

Acta Chromatographica

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“…Les fonctions existant dans la littérature ne convenant pas à nos besoins [26][27][28][29][30][31], nous avons donc essayé de construire une fonction réponse de robustesse qui vise à reproduire de manière quantifiée et objective ce qui en général est laissé à l'appréciation intuitive de l'analyste expérimenté.…”

Section: La Fonction De Robustesseunclassified

Utilisation des plans d'expériences pour évaluer la robustesse d'une méthode d'analyse quantitative par Chromatographie en Phase Liquide

Vial

Jardy

1998

Analusis

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Plusieurs éléments entrent dans la validation d'une méthode d'analyse par chromatographie en phase liquide (CPL) ; il faut à ce stade vérifier que le cahier des charges est correctement rempli (séparation des différents composés satisfaisante, temps d'analyse non rédhibitoire, limites de détec-tion et de quantification compatibles avec les niveaux attendus, linéarité, répétabilité etc…). En général, la dernière partie du processus de validation est consacrée à la « robustesse » de la méthode [1]. Mais comme cette notion est encore à l'heure actuelle assez mal appréhendée, elle n'est souvent abordée que de façon trop partielle.La robustesse d'une méthode d'analyse est sa capacité à rester stable (maintenir ses performances) face à de faibles variations des conditions expérimentales, variations de l'ordre de celles qui pourraient se produire lors de la mise en application de la méthode. C'est une caractéristique essentielle en contrôle qualité. L'exemple choisi ici porte sur la détermination du titre d'un produit et de ses substances apparentées par CPL Le produit choisi pour mener l'étude est la spiramycine (Rhône-Poulenc Rorer). Son analyse chromatographique est délicate étant donné que les principes actifs et les substances apparentées sont difficiles à séparer. De plus, comme on le verra, la méthode chromatographique utilisée est très sensible aux conditions de l'analyse. Toutes ces caractéristiques font que ce problème se prête très bien à la mise au point d'une méthodologie d'étude de robustesse en analyse quantitative en utilisant la technique des plans d'expériences [2][3][4][5]. L'objectif de l'étude n'est pas de reprendre l'optimisation de la méthode, mais d'examiner l'incidence de faibles variations fortuites des facteurs autour de leurs valeurs de consigne sur ses performances.Après avoir brièvement rappelé les conditions de l'analyse, nous justifierons le choix du type de plan d'expériences que nous avons utilisé, ainsi que la plage de variations définie pour chaque facteur. Les réponses que nous avons construites ont pour objectif de rendre compte des écarts par rapport à la valeur de consigne (au point de fonctionnement). L'exploitation utilise la technique de l'analyse de la variance et les calculs ont été menés à l'aide d'un logiciel de statistiques. Dans un dernier temps, nous essaierons de montrer comment il est possible de construire une fonction permettant de rendre compte de manière globale de la robustesse de l'analyse. Méthode d'analyse de la spiramycineL'analyse de la spiramycine dont la formule est donnée en figure 1 est actuellement obtenue par CPL Les mécanismes entrant en jeu lors de la séparation sont le partage à polarité de phases inversées et l'échange d'ions dynamique [6] Abstract. The ruggedness of an analytical method is defined by its capacity to remain unaffected (e.g. to maintain its performances) when small changes in experimental conditions happen. It can be studied by applying changes within the same order of magnitude of those which could occur when running routinely the ...

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“…Balancing these goals against each other should result in the most acceptable solution to the optimization problem. In HPLC, there have been attempts to solve this problem using different methods from multi-criteria decision making (MCDM) [20][21][22][23]. All of them have advantages and disadvantages and the choice for application of any of those approaches depends on the particular problem and on the chromatographic expertise of the user itself [20].…”

Section: Introductionmentioning

confidence: 99%

Optimization of the separation of coumarins in mixed micellar liquid chromatography using Derringer's desirability function

Ebrahimi

Hadjmohammadi

2007

Journal of Chemometrics

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The multi-criteria decision making (MCDM) method was applied for the optimization of the separation of eight coumarin compounds in mixed micellar liquid chromatography (MLC). In order to achieve this goal the usefulness of Derringer's desirability function for the evaluation of the two different chromatographic performance goals (resolution and analysis time) was tested. The effect of six experimental parameters on a chromatographic response function (CRF) expressed as a product of two sigmoidal desirability functions was investigated. The sigmoidal functions were used to transform the optimization criteria, resolution and analysis time, into the desirability values. The factors studied were the concentration of sodium dodecyl sulfate (SDS) and polyxyethylene (23) dodecanol (Brij-35), alkyl chain length of the alcohol used as the organic modifier, organic modifier concentration, mobile phase pH and temperature. For the development of the method and the optimization of the chromatographic conditions, the experiments were performed according to a face-centered cube response surface experimental design. The qualities of the obtained chromatograms were calculated using CRF and model was built by the use of MLR to correlate the obtained CRFs to the variables and their interactions. The MLR model developed showed good descriptive and predictive ability (R 2 ¼ 0.998, F ¼ 626.056, SE ¼ 0.009, R 2 CV ¼ 0.985) and was used, by a grid search algorithm, to optimize the chromatographic conditions for the separation of the mixture. The efficiency of prediction of polynomial model was confirmed by performing the experiment under the optimal conditions. The results of the study indicated that a CRF composed of sigmoid transformations can also be successfully used for the evaluation of the chromatograms.

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Introduction of multi-criteria decision making in optimization procedures for high-performance liquid chromatographic separations

Cited by 104 publications

References 7 publications

Chemometrically optimized micellar liquid chromatographic method for the simultaneous determination of cetirizine dihydrochloride in its combined dosage forms. Application to biological fluids and pharmacokinetic studies

Chemometrically optimized micellar liquid chromatographic method for the simultaneous determination of cetirizine dihydrochloride in its combined dosage forms. Application to biological fluids and pharmacokinetic studies

Utilisation des plans d'expériences pour évaluer la robustesse d'une méthode d'analyse quantitative par Chromatographie en Phase Liquide

Optimization of the separation of coumarins in mixed micellar liquid chromatography using Derringer's desirability function

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