Determination of a unique solution to parallel proton transfer reactions using the genetic algorithm

D. Moscovitch, O. Noivirt, A. Mezer, E. Nachliel, T. Mark, M. Gutman*, G. Fibich

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

12 Scopus citations

Abstract

Kinetic analysis of the dynamics as measured in multiequilibria systems is readily attained by curve-fitting methodologies, a treatment that can accurately retrace the shape of the measured signal. Still, these reconstructions are not related to the detailed mechanism of the process. In this study we subjected multiple proton transfer reactions to rigorous kinetic analysis, which consists of solving a set of coupled-nonlinear differential rate equations. The manual analysis of such systems can be biased by the operator; thus the analysis calls for impartial corroboration. What is more, there is no assurance that such a complex system has a unique solution. In this study, we used the Genetic Algorithm to investigate whether the solution of the system will converge into a single global minimum in the multidimensional parameter space. The experimental system consisted of proton transfer between four proton-binding sites with seven independent adjustable parameters. The results of the search indicate that the solution is unique and all adjustable parameters converge into a single minimum in the multidimensional parameter space, thus corroborating the accuracy of the manual analysis.

Original languageAmerican English
Pages (from-to)47-57
Number of pages11
JournalBiophysical Journal
Volume87
Issue number1
DOIs
StatePublished - Jul 2004
Externally publishedYes

Bibliographical note

Funding Information:
This research is supported by the German-Israeli Foundation for Scientific Research and Development (grant No. I-140-207.98) and the Israel Science Foundation (grant No. 427/01-1).

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