CHEMOMETRICS AND STATISTICS | Experimental Design

Hanrahan, Grady; Jian, Zhu; Gibani, S.; Patil, Deepa G.

doi:10.1016/b0-12-369397-7/00079-0

Cited by 18 publications

(13 citation statements)

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“…This approach is often used when simple linear and interaction models are not adequate (e.g., experimentation far from the region of optimum conditions) [44][45][46][47][48][49]. Here, the experimenter can expect curvature to be more prevalent requiring a mathematical model to represent the curvature.…”

Section: Rsmmentioning

confidence: 99%

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Response surface examination of the relationship between experimental conditions and product distribution in electrophoretically mediated microanalysis

2008

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This work presents the first known use of response surface methodology (RSM) in electrophoretically mediated microanalysis. This concept is demonstrated by examining the optimization of reaction conditions for the conversion of nicotinamide adenine dinucleotide to nicotinamide adenine dinucleotide, reduced form by glucose-6-phosphate dehydrogenase (G6PDH, EC 1.1.1.49) in the conversion of glucose-6-phosphate to 6-phosphogluconate. Experimental factors including voltage, enzyme concentration, and mixing time of reaction at the applied voltage were selected at three levels and tested in a Box-Behnken response surface design. Upon migration in a capillary under CE conditions, plugs of substrate and enzyme are injected separately in buffer and allowed to react at variable conditions. Extent of reaction and product ratios were subsequently determined by CE. The model predicted results are shown to be in good agreement (7.1% discrepancy difference) with experimental data. The use of chemometric RSM provides a direct relationship between electrophoretic conditions and product distribution of microscale reactions using CE, thereby offering a new and versatile approach to optimizing enzymatic experimental conditions.

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Section: Rsmmentioning

confidence: 99%

“…This design is considered an efficient option in RSM and an ideal alternative to central composite designs [44,45]. Overall, it combines a fractional factorial with incomplete block designs to avoid the extreme vertices and to present an approximately rotatable design with three levels per factor.…”

Section: Experimental Designmentioning

confidence: 99%

Response surface examination of the relationship between experimental conditions and product distribution in electrophoretically mediated microanalysis

2008

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“…The response surface equation is similar to the factorial design equation, but contains additional quadratic terms that allow curvature in the response, thus making response surfaces ideal for: (i) understanding how input factors influence the response, (ii) finding input factor levels that optimize the response (Hanrahan et al, 2005(Hanrahan et al, , 2006Ghaseni et al, 2011;Sredovic Ignjatovic et al, 2015). The study was carried out by measuring the intensity of the Pt(1) 265.945 nm atomic line.…”

Section: Theoreticalmentioning

confidence: 99%

“…Statistical evaluation of these effects is done using analysis of variance (ANOVA) (Ferreira et al, 2003;Ignjatovic et al, 2015;Hanrahan et al, 2005;Mutihac and Mutihac, 2008). The determination of which factors and interactions have the most prominent effects on the response is achieved by comparing the statistical p-value for the estimated effects with the critical level, which is usually 0.05 (Ferreira et al, 2003).…”

Section: Theoreticalmentioning

confidence: 99%

Application of two-level full factorial design and response surface methodology in the optimization of inductively coupled plasma-optical emission spectrometry (ICPOES) instrumental parameters for the determination of platinum

Mapfumo¹,

Zaranyika²

2017

J. Geol. Min. Res.

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Inductively coupled plasma optical emission spectrometry (ICP-OES) determination of platinum was optimized using 2-level, 4-factor full factorial design and response surface methodologies. Four factors, namely carrier gas flow rate, sample solution flow rate as represented by the pump speed, plasma observation height and RF power, were employed in the factorial design. Analysis of variance (ANOVA) at a p-value significance level of 0.05 was used to assess the significance of the factors on platinum analytical line emission intensity. The main effects of carrier gas flow rate and plasma power, and the interaction effect of carrier gas flow rate and plasma power, were found to be statistically significant and were varied during subsequent optimization procedure using contour map and response surface methodologies. Plasma observation height and pump speed were found to have an insignificant effect on the platinum intensity and were held constant at 10 mm above the load coil and 30 revolutions per minute, respectively during the optimization procedure. The optimized procedure comprised of a carrier gas flow rate of 0.70 L/min and plasma power of 1400 W, and was validated by analysis of Certified Reference Materials (CRMs) AMIS 0132 for low platinum grades and AMIS 0164 for high platinum grades. The instrumental limit of detection (LOD) and limit of quantization (LOQ) obtained were 0.035 µg/g Pt and 0.105 µg/g Pt, respectively, and highly precise determinations of Pt (0.21 to 0.24% RSD) were obtained when three batches of PMG ore floatation concentrates were analyzed using the optimized ICP-OES parameters.

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“…Fractional factorial designs are arguably the most widely used designs in experimental investigations, and mainly used for the screening portion of experiments. Such designs are good alternatives to a full factorial design, especially in the initial stage of a project, and considered a carefully prescribed and representative subset of a full factorial design (Araujo and Brereton, 1996;Otto, 1999;Hanrahan et al, 2005b). In fractional factorial designs, the number of experiments is reduced by a number p according to a 2 k-p design.…”

Section: Introductionmentioning

confidence: 99%

Experimental Design and Response Surface Modeling: A Method Development Application for the Determination of Reduced Inorganic Species in Environmental Samples

Hanrahan

Garza²,

Miguel³

et al. 2007

J ENV INFORM

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ABSTRACT.To confirm the significance of reduced inorganic species in nature, it is important to develop sensitive and selective analytical techniques to detect these species in complex environmental matrices. As a model application, we report on the successful use of fractional factorial and Box-Behnken designs in factor screening, optimization and validation of an on-line flow-injection method for the determination of phosphite [P(+III)] in aqueous samples. Fractional factorial results indicated that the combined KI, KIO 3 and ammonium molybdate flow rates, reaction temperature and KIO 3 concentration were the most important single effects. The main interactive effects were between flow rate and reaction temperature, and between sample volume and reaction temperature. The Box-Behnken design further optimized the response with results confirming the significant single effects of flow rate and temperature as well as the interactive effects between flow rate and reaction temperature. Overall, the model from the Box-Behnken design predicted critical values as: flow rate = 0.40 mL·min -1 , reaction temperature = 47 o C, sample volume = 85 μL, KI reagent concentration = 1.06 g·L -1 and KIO 3 reagent concentration = 0.29 g·L -1 . P(+III) determinations in spiked ultra-pure water were performed using the predicted optimized values from the Box-Behnken design and compared favorably with experimental results. In addition, the potential use of such methodology in the development of sensitive laboratory and field-based methods for the detection of a suite of reduced inorganic species in complex matrices was discussed.

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CHEMOMETRICS AND STATISTICS | Experimental Design

Cited by 18 publications

References 0 publications

Response surface examination of the relationship between experimental conditions and product distribution in electrophoretically mediated microanalysis

Response surface examination of the relationship between experimental conditions and product distribution in electrophoretically mediated microanalysis

Application of two-level full factorial design and response surface methodology in the optimization of inductively coupled plasma-optical emission spectrometry (ICPOES) instrumental parameters for the determination of platinum

Experimental Design and Response Surface Modeling: A Method Development Application for the Determination of Reduced Inorganic Species in Environmental Samples

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