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An Ill‐posed inverse problem in enzymatic kinetics: Jack‐Bean urease denaturation by an anionic surfactant
Author(s) -
Borges E.,
Menezes D. C.,
Braga J. P.
Publication year - 2012
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24163
Subject(s) - urease , chemistry , inverse , kinetics , pulmonary surfactant , inverse problem , simplex algorithm , denaturation (fissile materials) , reaction rate constant , nonlinear system , michaelis–menten kinetics , thermodynamics , computational chemistry , enzyme , mathematics , mathematical optimization , organic chemistry , physics , enzyme assay , mathematical analysis , biochemistry , geometry , linear programming , quantum mechanics , nuclear chemistry
Abstract A neural network procedure is applied to solve an ill‐posed inverse problem in chemical kinetics relevant to chemical and biological areas; calculation of rate constants for the jack‐bean urease denaturation by an anionic surfactant agent from experimental enzyme concentrations. The efficiency of the algorithm proposed is compared with the Simplex and the Levenberg–Marquardt techniques, often used in nonlinear regression methods to solve this kind of kinetics problem. The neural network approach is numerically stable and robust with respect to different initial guesses for the rate constants and noises in experimental data. © 2012 Wiley Periodicals, Inc.