Determination of Complex Reaction Mechanisms. Analysis of Chemical, Biological and Genetic Networks†

2008 ◽  
Vol 112 (11) ◽  
pp. 2134-2143 ◽  
Author(s):  
John Ross
Keyword(s):  
Reaction Mechanisms ◽  
Genetic Networks ◽  
Complex Reaction

Determination of Complex Reaction Mechanisms

2006 ◽  
Author(s):  
John Ross ◽  
Igor Schreiber ◽  
Marcel O. Vlad
Keyword(s):  
Reaction Mechanism ◽  
Reaction Mechanisms ◽  
Reaction Pathway ◽  
Chemical Species ◽  
Rate Coefficients ◽  
Chemical System ◽  
Evolutionary Development ◽  
Complex Reaction ◽  
Oscillatory Reactions

In a chemical system with many chemical species several questions can be asked: what species react with other species: in what temporal order: and with what results? These questions have been asked for over one hundred years about simple and complex chemical systems, and the answers constitute the macroscopic reaction mechanism. In Determination of Complex Reaction Mechanisms authors John Ross, Igor Schreiber, and Marcel Vlad present several systematic approaches for obtaining information on the causal connectivity of chemical species, on correlations of chemical species, on the reaction pathway, and on the reaction mechanism. Basic pulse theory is demonstrated and tested in an experiment on glycolysis. In a second approach, measurements on time series of concentrations are used to construct correlation functions and a theory is developed which shows that from these functions information may be inferred on the reaction pathway, the reaction mechanism, and the centers of control in that mechanism. A third approach is based on application of genetic algorithm methods to the study of the evolutionary development of a reaction mechanism, to the attainment given goals in a mechanism, and to the determination of a reaction mechanism and rate coefficients by comparison with experiment. Responses of non-linear systems to pulses or other perturbations are analyzed, and mechanisms of oscillatory reactions are presented in detail. The concluding chapters give an introduction to bioinformatics and statistical methods for determining reaction mechanisms.

Toward a systematic determination of complex reaction mechanisms

1993 ◽  
Vol 97 (26) ◽  
pp. 6776-6787 ◽  
Author(s):  
Tim Chevalier ◽  
Igor Schreiber ◽  
John Ross
Keyword(s):  
Reaction Mechanisms ◽  
Complex Reaction ◽  
Systematic Determination

Artificial Force Induced Reaction Method for Systematic Determination of Complex Reaction Mechanisms

2016 ◽  
Vol 16 (5) ◽  
pp. 2349-2363 ◽  
Author(s):  
W. M. C. Sameera ◽  
Akhilesh Kumar Sharma ◽  
Satoshi Maeda ◽  
Keiji Morokuma
Keyword(s):  
Reaction Mechanisms ◽  
Complex Reaction ◽  
Reaction Method ◽  
Systematic Determination ◽  
Induced Reaction

Determination of heterogeneous reaction mechanisms: A key milestone in dust explosion modelling

2021 ◽  
pp. 104589
Author(s):  
Matteo Pietraccini ◽  
Eloise Delon ◽  
Audrey Santandrea ◽  
Stéphanie Pacault ◽  
Pierre-Alexandre Glaude ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Heterogeneous Reaction ◽  
Dust Explosion

scholarly journals Analyzing Complex Reaction Mechanisms Using Path Sampling

2016 ◽  
Vol 12 (11) ◽  
pp. 5398-5410 ◽  
Author(s):  
Titus S. van Erp ◽  
Mahmoud Moqadam ◽  
Enrico Riccardi ◽  
Anders Lervik
Keyword(s):  
Reaction Mechanisms ◽  
Complex Reaction ◽  
Path Sampling
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