Discrete design of enzyme kinetic experiments |
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| Institution: | 1. Department of Biochemistry and Physiology, University of Barcelona, 08028 Barcelona, Spain;2. Department of Applied Mathematics, University of Barcelona, 08007 Barcelona, Catalonia, Spain;1. Univ. Bordeaux, EPOC, UMR5805, F33600 Pessac, France;2. CNRS, EPOC, UMR5805, F33600 Pessac, France;1. Department of Signal Processing and Communications, Universidad de Alcalá, Madrid, Spain;2. E.T.S. Ingenieros de Caminos, Canales y Puertos, Universidad Politécnica de Madrid, 28040 Madrid, Spain;1. State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, National Center for Magnetic Resonance in Wuhan, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, China;2. University of Chinese Academy of Sciences, Beijing 100049, China;3. School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou, 430023, China;1. Department of Signal Processing and Communications, Universidad de Alcalá, Madrid, Spain;2. ITAP, EII, Universidad de Valladolid, Valladolid, Spain;1. Dpt. of Agronomy, University of Córdoba, Campus Rabanales, Edificio Celestino Mutis, 140071 Córdoba, Spain;2. Dpt. of Biological Systems Engineering, Washington State University, Pullman, WA 99163, USA;3. Dpt. of Horticulture, IFAPA, Centro Camino Purchil, 18071 Granada, Spain;4. Dpt. of Agronomy, Escuela Superior de Ingeniería, University of Almería, La Cañada, 04120 Almería, Spain |
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| Abstract: | The usefulness of discrete designs in enzyme kinetics as an alternative to continuous designs is discussed in this paper, focusing on designs satisfying the D-optimality criterion. This study has been carried out using a program called DODID, specifically devised for this purpose, which is available by request to the authors. The results presented in this paper show that the relative efficiency of the D-optimal discrete designs with respect to the continuous ones increases rapidly when increasing the number of possible values for the control variables. Relative efficiencies higher than 0.98 are achieved when using 20 possible values for each variable. The power of the tools provided by the computational approach of this work is proved by the analysis made on the robustness of different designs for estimating the kinetic parameters when a wrong assumption on the error structure has been made. The robustness of the designs made assuming medium constant error (error variance proportional to the true response) is thus confirmed. A comparative study of several discriminating designs is also presented. The results obtained show that the designs produced by adding the optimal discrete designs corresponding to both candidate models plus the point where the weighted difference between the predicted values is maximum, is a good choice when designing an experiment for discrimination. |
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