Teaching the fundamentals of experimental design

Deming, Stanley N.; Morgan, Stephen L.

doi:10.1016/s0003-2670(00)85470-7

Cited by 53 publications

(10 citation statements)

References 123 publications

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“…Investigation of the three most relevant factors for ionization source conditions, namely SheaF (X 1 ), DryF (X 2 ), and VapoT (X 3 ), was achieved with a face-centered central composite design (CCD). Although Doehlert designs would require less experiments, CCD was selected because of the short analysis times and the superior degrees of freedom (DF) to assess the statistical quality of the model [63]. The CCD was composed of a full factorial design (20 trials) including six face-centered experiments and six trials performed at the center of the investigated ranges to evaluate the standard method error.…”

Section: Sensitivity Modelingmentioning

confidence: 99%

Coupling CE with atmospheric pressure photoionization MS for pharmaceutical basic compounds: Optimization of operating parameters

Schappler¹,

Guillarme²,

Prat³

et al. 2007

Electrophoresis

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The use of CE coupled with MS (CE-MS) has evolved as a useful tool to analyze charged species in small sample volumes. Because of its sensitivity, versatility and ease of implementation, the ESI interface is currently the method of choice to hyphenate CE to MS. An alternative can be the atmospheric pressure photoionization (APPI) source, however, numerous parameters must be optimized for its coupling to CE. After evaluation of the sheath liquid composition and the CE capillary outlet position, an experimental design methodology was assessed for optimizing other ionization source parameters, such as sheath liquid flow rate, drying gas flow rate and temperature, nebulizing gas pressure, vaporizer temperature, and capillary voltage. For this purpose, a fractional factorial design (FFD) was selected as a screening procedure to identify factors which significantly influence sensitivity and efficiency. A face-centered central composite design (CCD) was then used to predict and optimize sensitivity, taking into account the most relevant variables. Sensitivity was finally evaluated with the optimized conditions and height-to-noise ratios (H/N) around 10 were achieved for an injection of 200 ng/mL of each analyte.

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Section: Sensitivity Modelingmentioning

confidence: 99%

Coupling CE with atmospheric pressure photoionization MS for pharmaceutical basic compounds: Optimization of operating parameters

Schappler¹,

Guillarme²,

Prat³

et al. 2007

Electrophoresis

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“…the MINUIT program. The contraction/dilatation and weighting are involved in the relation [21] [22] ( )…”

Section: Optimization At the Points Of Evolving Simplexmentioning

confidence: 99%

Simplex Optimization and Its Applicability for Solving Analytical Problems

Michałowska-Kaczmarczyk¹,

Michałowski²

2014

JAMP

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Formulation of the simplex matrix referred to n-D space, is presented in terms of the scalar product of vectors, known from elementary algebra. The principles of a simplex optimization procedure are presented on a simple example, with use of a target function taken as a criterion of optimization, where accuracy and precision are treated equally in searching optimal conditions of a gravimetric analysis.

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“…Response surfaces can also show the impact of small changes away from a set value on the method performance which is valuable information relating to method robustness. Response surfaces can be obtained by employing designs such as central composites [26] and Box-Behnken [27]. The beneficial use of central composite designs in HPLC method development has been shown [28].…”

Section: Central Composite Designsmentioning

confidence: 99%

Application of chemometric experimental designs in capillary electrophoresis: A review

Altria¹,

Clark

Filbey³

et al. 1995

Electrophoresis

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Various chemometric experimental designs have been employed for the optimisation of capillary electrophoresis (CE) methods. Similar designs have been utilised in the assessment of the robustness of CE methods. The designs employed include central composites, fractional factorials, Plackett-Burman, simplex and overlapping-resolution mapping. Optimisation studies have largely concentrated on the use of these designs on selection of the optimal electrolyte composition. The robustness testing studies performed have involved the use of screening designs to identify the critical parameters affecting responses such as migration times and resolution. Further designs such as central composites have then been employed to set method limits following robustness studies. It is concluded that the use of experimental designs and statistical data evaluation in conjunction with personal computer-controlled CE autosamplers and instruments are of great benefit in the optimisation and robustness evaluation of CE methods.

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Teaching the fundamentals of experimental design

Cited by 53 publications

References 123 publications

Coupling CE with atmospheric pressure photoionization MS for pharmaceutical basic compounds: Optimization of operating parameters

Coupling CE with atmospheric pressure photoionization MS for pharmaceutical basic compounds: Optimization of operating parameters

Simplex Optimization and Its Applicability for Solving Analytical Problems

Application of chemometric experimental designs in capillary electrophoresis: A review

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