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Under suitable assumptions, the dynamic behaviour of a chemical reaction network is governed by an autonomous set of polynomial ordinary differential equations over continuous variables representing the concentrations of the reactant…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel

Understanding the emergent behavior of chemical reaction networks (CRNs) is a fundamental aspect of biology and its origin from inanimate matter. A closed CRN monotonically tends to thermal equilibrium, but when it is opened to external…

Molecular Networks · Quantitative Biology 2024-05-16 Masanari Shimada , Pegah Behrad , Eric De Giuli

The modern thermodynamics of discrete systems is based on graph theory, which provides both algebraic methods to define observables and a geometric intuition of their meaning and role. However, because chemical reactions are usually…

Statistical Mechanics · Physics 2023-04-04 Sara Dal Cengio , Vivien Lecomte , Matteo Polettini

Linearized catalytic reaction equations modeling e.g. the dynamics of genetic regulatory networks under the constraint that expression levels, i.e. molecular concentrations of nucleic material are positive, exhibit nontrivial dynamical…

Disordered Systems and Neural Networks · Physics 2015-05-18 Rudolf Hanel , Manfred Pöchacker , Stefan Thurner

Biochemical networks are used in computational biology, to model the static and dynamical details of systems involved in cell signaling, metabolism, and regulation of gene expression. Parametric and structural uncertainty, as well as…

Molecular Networks · Quantitative Biology 2014-10-15 Ovidiu Radulescu , Alexander N. Gorban , Andrei Zinovyev , Vincent Noel

We build a rigorous nonequilibrium thermodynamic description for open chemical reaction networks of elementary reactions. Their dynamics is described by deterministic rate equations satisfying mass action law. Our most general framework…

Statistical Mechanics · Physics 2017-01-13 Riccardo Rao , Massimiliano Esposito

The article presents new model of equilibrium in open chemical systems suggesting a linear dependence of the reaction shift from equilibrium in presence of the external thermodynamic force. Basic equation of this model contains traditional…

Chemical Physics · Physics 2007-05-23 B. Zilbergleyt

Living systems operate out of equilibrium, continuously consuming energy to sustain organised, functional states. Their emergent behaviour usually relies on a set of interconnected chemical reaction networks (CRNs) driven by external fluxes…

Statistical Mechanics · Physics 2026-02-03 Shiling Liang , Paolo De Los Rios , Daniel Maria Busiello

The concept of limiting step gives the limit simplification: the whole network behaves as a single step. However, in its simplest form this idea is applicable only to the simplest linear cycles in steady states. For such the simplest cycles…

Chemical Physics · Physics 2008-06-23 A. N. Gorban , O. Radulescu

In the first part of this paper, we propose new optimization-based methods for the computation of preferred (dense, sparse, reversible, detailed and complex balanced) linearly conjugate reaction network structures with mass action dynamics.…

Dynamical Systems · Mathematics 2014-07-15 Matthew D. Johnston , David Siegel , Gábor Szederkényi

The metabolic network of a living cell involves several hundreds or thousands of interconnected biochemical reactions. Previous research has shown that under realistic conditions only a fraction of these reactions is concurrently active in…

Molecular Networks · Quantitative Biology 2012-06-06 Joo Sang Lee , Takashi Nishikawa , Adilson E. Motter

A crisp survey is given of chemical reaction networks from the perspective of general nonlinear network dynamics, in particular of consensus dynamics. It is shown how by starting from the complex-balanced assumption the reaction dynamics…

Dynamical Systems · Mathematics 2015-02-10 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

We study the response of chemical reaction networks driven far from equilibrium to logarithmic perturbations of reaction rates. The response of the mean number of a chemical species is observed to be quantitively limited by number…

Statistical Mechanics · Physics 2023-05-09 Hyun-Myung Chun , Jordan M. Horowitz

Motivated by recent progress on the interplay between graph theory, dynamics, and systems theory, we revisit the analysis of chemical reaction networks described by mass action kinetics. For reaction networks possessing a thermodynamic…

Optimization and Control · Mathematics 2012-06-19 Arjan van der Schaft , Shodhan Rao , Bayu Jayawardhana

The kinetics of chemical reactions are determined by the law of mass action, which has been successfully applied to homogeneous, dilute mixtures. At non-dilute conditions, interactions among the components can give rise to coexisting…

Thermodynamic constraints on reactions directions are inherent in the structure of a given biochemical network. However, concrete procedures for determining feasible reaction directions for large-scale metabolic networks are not well…

Molecular Networks · Quantitative Biology 2007-05-23 Feng Yang , Feng Qi , Daniel A. Beard

Predicting cellular metabolic states is a central problem in biophysics. Conventional approaches, however, sensitively depend on the microscopic details of individual metabolic systems. In this Letter, we derived a universal linear…

Molecular Networks · Quantitative Biology 2023-07-26 Jumpei F. Yamagishi , Tetsuhiro S. Hatakeyama

We consider linear elimination of variables in steady state equations of a chemical reaction network. Particular subsets of variables corresponding to sets of so-called reactant-noninteracting species, are introduced. The steady state…

Molecular Networks · Quantitative Biology 2018-07-03 Meritxell Sáez , Carsten Wiuf , Elisenda Feliu

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

Computational Engineering, Finance, and Science · Computer Science 2021-07-02 Lucia Nasti , Roberta Gori , Paolo Milazzo , Federico Poloni

The vast majority of the literature dealing with quantum dynamics is concerned with linear evolution of the wave function or the density matrix. A complete dynamical description requires a full understanding of the evolution of measured…

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