Experimental design modeling

Franz, R.M. Browne, J. Lewis, A. Experimental design, modeling, and optimization strategies for product and process development. In Pharmaceutical Dosage Forms Disperse Systems, 2nd Ed. Lieberman, H.L., Rieger, M., Banker, G., Eds. Marcel Dekker, Inc. New York, 1996 1, 427-514. 

G. Liu, B.J. van Wie, D. Leatzow, B. Weyrauch, T. Tiffany, Experimental design modeling of carryover to optimize air-segmented continuous flow analysis, Anal. Chim. Acta 408 (2000) 21. 

Experimental design model monoxenic culture in a two-compartment system... 

To develop an empirical model for a response surface, it is necessary to collect the right data using an appropriate experimental design. Two popular experimental designs are considered in the following sections. 

Reviews of concentration polarization have been reported (14,38,39). Because solute wall concentration may not be experimentally measurable, models relating solute and solvent fluxes to hydrodynamic parameters are needed for system design. The Navier-Stokes diffusion—convection equation has been numerically solved to calculate wall concentration, and thus the water flux and permeate quaUty (40). 

W. Mendenhall, Introduction to EinearMode/s and the Design andAna/ysis of Experiments, Duxbury Press, Belmont, Calif., 1968. This book provides an introduction to basic concepts and the most popular experimental designs without going into extensive detail. In contrast to most other books, the emphasis in the development of many of the underlying models and analysis methods is on a regression, rather than an analysis-of-variance, viewpoint. 

Cropley, J.B., Systematic Errors in Recycle Reactor Kinetic Studies, Chemical Engineeiing Piogiess, February 1987, 46-51. (Model building, experimental design)... 

Cropley made general recommendations to develop kinetic models for compUcated rate expressions. His approach includes first formulating a hyperbolic non-linear model in dimensionless form by linear statistical methods. This way, essential terms are identified and others are rejected, to reduce the number of unknown parameters. Only toward the end when model is reduced to the essential parts is non-linear estimation of parameters involved. His ten steps are summarized below. Their basis is a set of rate data measured in a recycle reactor using a sixteen experiment fractional factorial experimental design at two levels in five variables, with additional three repeated centerpoints. To these are added two outlier... 

Kelkar and McCarthy (1995) proposed another method to use the feedforward experiments to develop a kinetic model in a CSTR. An initial experimental design is augmented in a stepwise manner with additional experiments until a satisfactory model is developed. For augmenting data, experiments are selected in a way to increase the determinant of the correlation matrix. The method is demonstrated on kinetic model development for the aldol condensation of acetone over a mixed oxide catalyst. 

Togkalidou, T., Braatz, R.D., Johnson, B.K., Davidson, O. and Andrews, A., 2001. Experimental design and inferential modelling in pharmaceutical crystallization. American Institution of Chemical Engineers Journal, 47(1), 160-168. 

The rate constant /ct, determined by means of Eq. (6-47) or (6-48), may describe either general base or nucleophilic catalysis. To distinguish between these possibilities requires additional information. For example, in Section 3.3, we described a kinetic model for the N-methylimidazole-catalyzed acetylation of alcohols and experimental designs for the measurement of catalytic rate constants. These are summarized in Scheme XVIIl of Section 3.3, which we present here in slightly different form. 

Models also can assist in experimental design and the determination of the limits of experimental systems. For example, it is known that three proteins mediate the interaction of HIV with cells namely, the chemokine receptor CCR5, the cellular protein CD4, and the viral coat protein gpl20. An extremely useful experimental system to study this interaction is one in which radioactive CD4, prebound to soluble gpl20, is allowed to bind to cellular receptor CCR5. This system can be used to screen for... 

This paper explores how models may be developed to account for the relationship between the stable isotope composition of a body tissue of an organism and its diet. The main approach taken is to express this relationship as an explicit equation, or a DIFF , and then to show how the values of such a DIFF can be evaluated from published experimental data. These values can be expected to have a much wider meaning than a simple encapsulation of a particular experimental design. As a main example, we show how the values may be used to constract a metabolic model in which the synthesis of non-essential amino acid for collagen construction can be treated. A second example is to show how the evaluation, in terms of diet, of the spacing between collagen and carbonate 6 C may be put on a rigorous basis. 

Gonzalez, A. G., TWo Level Factorial Experimental Designs Based on Multiple Linear Regression Models A Tutorial Digest Illustrated by Case Studies, Analytica Chimica Acta 360, 1998, 227-241. 

Plumb AP, Rowe RC, York P, Doherty C. The effect of experimental design in the modelling of a tablet coating formulation using artificial neural networks. Eur J Pharm Sci 2002 16 281-8. 

A two levels of full factorial experimental design with three independent variables were generated with one center point, which was repeated[3]. In this design, F/P molar ratio, Oh/P wt%, and reaction temperature were defined as independent variables, all receiving two values, a high and a low value. A cube like model was formed, with eight comers. One center point (repeated twice) was added to improve accuracy of the design. Every analysis results were treated as a dependent result in the statistical study. 

The form of the mathematical model fitted to the consensus factorial table must be reassessed after the hierarchical tree Is pruned and the experimental design has been revised by the statistician. 

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