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Half-fraction and full factorial designs versus central composite design for retention modelling in reversed-phase ion-pair liquid chromatography

Jacques O De Beer, Catherine V Vandenbroucke, Désiré L Massart and Bart De Spiegeleer (UGent)
(1996) JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS. 14(5). p.525-541
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Abstract
In a previous paper (J. O. De Beer, C. V. Vandenbroucke and D. L. Massart, J. Pharm. Biomed. Anal., 12, (1994) 1379-1396) liquid chromatographic (LC) retention modelling of the cough-syrup compounds methyl para-hydroxybenzoate (MPHB) and propyl para-hydroxybenzoate (PPHB), phenylephrine hydrochloride (PE) and chlorphenamine maleate (CPM) was studied using a face-centred central composite design. It is examined whether smaller half-fractional and full factorial designs with fewer experiments tend to reliably predict retention times of the latter compounds as well. Simplified regression modelling, however, neglecting more first-order and interactive effects and disregarding pure second-order effects,, has to be set up. These smaller designs finally satisfy the prediction of the retention of MPHB, PPHB and PE also. Retention prediction of CPM is much less accurate. CPM has a pK(a) value of 4.0, which is encompassed by the examined mobile phase pH limits 3.9 and 5.0. Since the largest retention shifts occur near the pK(a) value, retention prediction in this area becomes more complex. CPM retention modelling from a full factorial design is useful if the mobile phase pH is fixed at 5.0 for methanol as well as for acetonitrile as organic modifers. The full factorial design, applied with acetonitrile as organic modifer. enables the selection of suitable LC parameter combinations for fast and complete separation of the four compounds in cough-syrup analysis.
Keywords
half-fraction factorial design, full-factorial design, ion-pair reversed-phase liquid chromatography, regression modelling, response surface plots, cough-syrup analysis, HPLC METHOD VALIDATION, RUGGEDNESS TEST, EXPERT SYSTEM, SET-UP, OPTIMIZATION, ANOVA, RES

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MLA
De Beer, Jacques O et al. “Half-fraction and Full Factorial Designs Versus Central Composite Design for Retention Modelling in Reversed-phase Ion-pair Liquid Chromatography.” JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 14.5 (1996): 525–541. Print.
APA
De Beer, J. O., Vandenbroucke, C. V., Massart, D. L., & De Spiegeleer, B. (1996). Half-fraction and full factorial designs versus central composite design for retention modelling in reversed-phase ion-pair liquid chromatography. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 14(5), 525–541.
Chicago author-date
De Beer, Jacques O, Catherine V Vandenbroucke, Désiré L Massart, and Bart De Spiegeleer. 1996. “Half-fraction and Full Factorial Designs Versus Central Composite Design for Retention Modelling in Reversed-phase Ion-pair Liquid Chromatography.” Journal of Pharmaceutical and Biomedical Analysis 14 (5): 525–541.
Chicago author-date (all authors)
De Beer, Jacques O, Catherine V Vandenbroucke, Désiré L Massart, and Bart De Spiegeleer. 1996. “Half-fraction and Full Factorial Designs Versus Central Composite Design for Retention Modelling in Reversed-phase Ion-pair Liquid Chromatography.” Journal of Pharmaceutical and Biomedical Analysis 14 (5): 525–541.
Vancouver
1.
De Beer JO, Vandenbroucke CV, Massart DL, De Spiegeleer B. Half-fraction and full factorial designs versus central composite design for retention modelling in reversed-phase ion-pair liquid chromatography. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS. 1996;14(5):525–41.
IEEE
[1]
J. O. De Beer, C. V. Vandenbroucke, D. L. Massart, and B. De Spiegeleer, “Half-fraction and full factorial designs versus central composite design for retention modelling in reversed-phase ion-pair liquid chromatography,” JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, vol. 14, no. 5, pp. 525–541, 1996.
@article{7155060,
  abstract     = {In a previous paper (J. O. De Beer, C. V. Vandenbroucke and D. L. Massart, J. Pharm. Biomed. Anal., 12, (1994) 1379-1396) liquid chromatographic (LC) retention modelling of the cough-syrup compounds methyl para-hydroxybenzoate (MPHB) and propyl para-hydroxybenzoate (PPHB), phenylephrine hydrochloride (PE) and chlorphenamine maleate (CPM) was studied using a face-centred central composite design. It is examined whether smaller half-fractional and full factorial designs with fewer experiments tend to reliably predict retention times of the latter compounds as well. Simplified regression modelling, however, neglecting more first-order and interactive effects and disregarding pure second-order effects,, has to be set up. These smaller designs finally satisfy the prediction of the retention of MPHB, PPHB and PE also. Retention prediction of CPM is much less accurate. CPM has a pK(a) value of 4.0, which is encompassed by the examined mobile phase pH limits 3.9 and 5.0. Since the largest retention shifts occur near the pK(a) value, retention prediction in this area becomes more complex. CPM retention modelling from a full factorial design is useful if the mobile phase pH is fixed at 5.0 for methanol as well as for acetonitrile as organic modifers. The full factorial design, applied with acetonitrile as organic modifer. enables the selection of suitable LC parameter combinations for fast and complete separation of the four compounds in cough-syrup analysis.},
  author       = {De Beer, Jacques O and Vandenbroucke, Catherine V and Massart, Désiré L and De Spiegeleer, Bart},
  issn         = {0731-7085},
  journal      = {JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS},
  keywords     = {half-fraction factorial design,full-factorial design,ion-pair reversed-phase liquid chromatography,regression modelling,response surface plots,cough-syrup analysis,HPLC METHOD VALIDATION,RUGGEDNESS TEST,EXPERT SYSTEM,SET-UP,OPTIMIZATION,ANOVA,RES},
  language     = {eng},
  number       = {5},
  pages        = {525--541},
  title        = {Half-fraction and full factorial designs versus central composite design for retention modelling in reversed-phase ion-pair liquid chromatography},
  url          = {http://dx.doi.org/10.1016/0731-7085(95)01655-4},
  volume       = {14},
  year         = {1996},
}
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