Literature DB >> 16853755

Random activation energy model and disordered kinetics, from static to dynamic disorder.

Marcel Ovidiu Vlad1, Gianfranco Cerofolini, Peter Oefner, John Ross.   

Abstract

We suggest a unified path integral approach for random rate processes with random energy barriers, which includes systems with static and dynamic disorder as particular cases. We assume that the random component of the activation energy barrier can be described by a generalized Zubarev-McLennan nonequilibrum statistical ensemble that can be derived from the maximum information entropy approach by assuming that the time history of the fluctuations of the random components of the energy barrier are known. We show that the average survival function, which is an experimental observable in disorderd kinetics, can be computed exactly in terms of the characteristic functional of this generalized Zubarev-McLennan nonequilibrium statistical ensemble. We investigate different types of disorder described by our approach, ranging from static disorder with infinite memory to random processes with long or short memory, and finally to rapidly fluctuating independent random processes with no memory. We derive expressions of the average survival function for all these types of disorder and discuss their implications in the evaluation of kinetic parameters from experimental data. We illustrate our approach by studying a simple model of dynamic disorder of the renewal type. Finally we discuss briefly the implications of our approach in molecular biology and genetics.

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Year:  2005        PMID: 16853755     DOI: 10.1021/jp051085z

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  3 in total

1.  Functional, fractal nonlinear response with application to rate processes with memory, allometry, and population genetics.

Authors:  Marcel O Vlad; Federico Morán; Vlad T Popa; Stefan E Szedlacsek; John Ross
Journal:  Proc Natl Acad Sci U S A       Date:  2007-03-14       Impact factor: 11.205

2.  Incremental parameter evaluation from incomplete data with application to the population pharmacology of anticoagulants.

Authors:  Marcel O Vlad; Alexandru Dan Corlan; Federico Morán; Peter Oefner; John Ross
Journal:  Proc Natl Acad Sci U S A       Date:  2008-03-19       Impact factor: 11.205

3.  On anti-portfolio effects in science and technology with application to reaction kinetics, chemical synthesis, and molecular biology.

Authors:  Marcel O Vlad; Alexandru Dan Corlan; Vlad T Popa; John Ross
Journal:  Proc Natl Acad Sci U S A       Date:  2007-11-14       Impact factor: 11.205

  3 in total

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