Computer-assisted optimization in high-performance liquid chromatographic method development

Deming, Stanley N.; Palasota, Josephine M.; Lee, Jongeon; Sun, Li

doi:10.1016/s0021-9673(01)89130-5

Cited by 26 publications

(4 citation statements)

References 79 publications

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“…Disadvantages of sequential methods are slow convergence on the complex response surface and difficulty in dealing with the response surface with high dimensionality. The methods may be suitable as a means for fine tuning a separation . However, the simultaneous optimization methods, such as mixture designs , and factorial designs, − do not suffer from these problems.…”

Section: Resultsmentioning

confidence: 99%

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Orthogonal Array Design for the Optimization of Supercritical Carbon Dioxide Extraction of Different Metals from a Solid Matrix with Cyanex 301 as a Ligand

et al. 2004

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In this study, different metal cations such as Ag+, Pd2+, Mn2+, In3+, Au3+, and Bi3+ were removed from a solid matrix using supercritical CO2 containing cyanex 301 as a ligand. When the solvating power of supercritical CO2 is combined with the metal ion complexing power of an organic ligand, a clean alternative to conventional liquid−liquid and liquid−solid extraction is obtained. An orthogonal array design (OAD), OA9 (34), was employed as a chemometric method for the optimization of the supercritical fluid extraction (SFE) of metal cations from a solid matrix. Four parameters, namely, the pressure and temperature of the supercritical fluid, the dynamic extraction time, and the volume of modifier, were studied and optimized by a three-level OAD in which the interactions between the parameters were temporarily neglected. To optimize the SFE condition for each cation, nine experiments were performed in random order. Determinations of the extracts were performed by atomic absorption spectroscopy. The effects of parameters were studied using analysis of variance (ANOVA). The results showed that Ag+, Pd2+, Mn2+, In3+, Au3+, and Bi3+ could be effectively extracted from the solid matrix by using supercritical fluid extraction and cyanex 301 as a chelating agent. Finally, the experimental conditions providing the highest extraction yield inside the experimental domain considered were proposed.

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Section: Resultsmentioning

confidence: 99%

“…The methods may be suitable as a means for fine tuning a separation. 18 However, the simultaneous optimization methods, such as mixture designs 7,19 and factorial designs, [20][21][22][23][24][25][26][27][28][29][30] do not suffer from these problems.…”

Section: Resultsmentioning

confidence: 99%

Orthogonal Array Design for the Optimization of Supercritical Carbon Dioxide Extraction of Different Metals from a Solid Matrix with Cyanex 301 as a Ligand

et al. 2004

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“…[1][2][3][4][5][6][7][8] Among all such criteria, peak resolutions (Rs) are commonly used for optimization of HPLC conditions. [1][2][3][4] However, optimization of HPLC conditions using only Rs is not enough 2,8,9 to give the data having the best S/N ratio. In addition, researchers have also made every endeavor to find HPLC conditions which can provide the most precise measurements in the shortest amount of time.…”

Section: Introductionmentioning

confidence: 99%

Optimization of HPLC-ECD Conditions for Determination of Catechins with Precision and Efficiency Based on the FUMI Theory

et al. 2003

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A chemometric tool based on the Function of Mutual Information (FUMI) theory can provide a relative standard deviation (RSD) without repetitive measurements in high-performance liquid chromatography with electrochemical detection (HPLC-ECD). Two parameters: precision (= information content) φ and efficiency (= information content/time) θ, which were calculated from predicted RSD based on the FUMI theory, were used to optimize HPLC-ECD conditions, such as applied potential, flow rate, column length, and size of ODS porous packing. We selected catechins as analytes, and found that the most optimum applied potential and flow rate were +600 mV vs. SCE and 0.9 mL/min, respectively, because they gave the largest φ and θ values. Buffer concentration in mobile phase is less effective for giving large φ and θ values. Since the FUMI theory makes it possible to predict RSD without repetitive measurements, the present method saves considerable amounts of chemicals and experimental time, and was found to be useful for the optimization of experimental conditions for determination by HPLC-ECD.

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“…Two general systematic optimization schemes which are used for the multi-component separation included the sequential and simultaneous methods. The sequential simplex optimization procedure is suitable as a means of fine-tuning a separation [14][15][16][17]. However, it required the response surface to be sequentially tracked until an optimum has been located, which is not, however, an ( a priori) global optimum "1.…”

Section: Introductionmentioning

confidence: 99%

Determination of 4-nonylphenol—part 1: Optimization of the gas chromatographic determination of 4-nonylphenol by orthogonal array design and electronic pressure programming

1996

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Orthogonal array design (OAD) and electronic pressure programming (EPP) using built‐in electronic pressure control (EPC) has been employed to optimize gas chromatographic (GC) conditions to improve the separation and detection of the isomers of 4‐nonylphenol whose high toxicity towards marine life is well documented. Seven GC parameters have been examined by the OAD, namely carrier gas pressure program, initial oven temperature, time duration of initial oven temperature, final oven temperature, solvent effect, purge‐on time, and two different oven heating rates. Two responses, normalized peak area (NPA) and number of distinguishable peaks (NDP), were used to evaluate the suitability of OAD for the optimization of GC performance. A good correlation between two responses was established. The optimization of these parameters in the analysis of 4‐nonylphenol demonstrates the applicability of the OAD and EPC for environmental analysis by GC. © 1996 John Wiley & Sons, Inc.

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Computer-assisted optimization in high-performance liquid chromatographic method development

Cited by 26 publications

References 79 publications

Orthogonal Array Design for the Optimization of Supercritical Carbon Dioxide Extraction of Different Metals from a Solid Matrix with Cyanex 301 as a Ligand

Orthogonal Array Design for the Optimization of Supercritical Carbon Dioxide Extraction of Different Metals from a Solid Matrix with Cyanex 301 as a Ligand

Optimization of HPLC-ECD Conditions for Determination of Catechins with Precision and Efficiency Based on the FUMI Theory

Determination of 4-nonylphenol—part 1: Optimization of the gas chromatographic determination of 4-nonylphenol by orthogonal array design and electronic pressure programming

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