IDENTIFICATION OF RATE CONSTANTS AND NONOBSERVABLE ABSORPTION SPECTRA IN NONLINEAR BIOCHEMICAL REACTION DYNAMICS

Autor:	Douglas Maraun, Jens Timmer, H. P. Happersberger, W. Horbelt, Henning W. Rust, F. Drepper
Rok vydání:	2004
Předmět:	Nonlinear system Reaction rate constant Absorption spectroscopy Reaction dynamics Chemistry Chemical physics Applied Mathematics Modeling and Simulation Reagent Kinetics Spectroscopy Engineering (miscellaneous) Spectral line
Zdroj:	International Journal of Bifurcation and Chaos. 14:2081-2092
ISSN:	1793-6551 0218-1274
DOI:	10.1142/s0218127404010473
Popis:	On analyzing data of biochemical reaction dynamics monitored by time-resolved spectroscopy, one faces the problem that the concentration time courses of the involved components are not directly observed, but the superposition of their absorption spectra. Furthermore the single spectra are often unknown, because the corresponding reagents cannot be isolated. We propose a method based on Bock's multiple shooting algorithm to estimate the rate constants and individual spectra simultaneously. Applying this procedure to a biochemical reaction we identify the specific rate constants characterizing the reaction dynamics as well as the nonobservable absorption spectra. The results lead to a better understanding of the kinetics of a novel modification reaction which was used as trapping reaction in disulfide bond mediated protein folding reactions.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::bf8fb3de68b4b150e09ccd024057d298 https://doi.org/10.1142/s0218127404010473 Zobrazit plný text záznamu