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Chemical reaction network theory is a field of applied mathematics concerned with modeling chemical systems, and can be used in other contexts such as in systems biology to study cellular signaling pathways or epidemiology to study the…

Algebraic Geometry · Mathematics 2024-06-17 Maize Curiel , Elise Farr , Galileo Fries , Luis David García Puente , Julian Hutchins , Vuong Nguyen Hoang

A chemical reaction network (CRN) is composed of reactions that can be seen as interactions among entities called species, which exist within the system. Endowed with kinetics, CRN has a corresponding set of ordinary differential equations…

Dynamical Systems · Mathematics 2021-04-20 Bryan S. Hernandez , Ralph John L. De la Cruz

In living cells, chemical reactions form a complex network. Complicated dynamics arising from such networks are the origins of biological functions. We propose a novel mathematical method to analyze bifurcation behaviors of a reaction…

Molecular Networks · Quantitative Biology 2018-08-08 Takashi Okada , Je-Chiang Tsai , Atsushi Mochizuki

The persistence conjecture is a long-standing open problem in chemical reaction network theory. It concerns the behavior of solutions to coupled ODE systems that arise from applying mass-action kinetics to a network of chemical reactions.…

Dynamical Systems · Mathematics 2014-10-07 Abhishek Deshpande , Manoj Gopalkrishnan

We define catalytic networks as chemical reaction networks with an essentially catalytic reaction pathway: one which is on in the presence of certain catalysts and off in their absence. We show that examples of catalytic networks include…

Molecular Networks · Quantitative Biology 2011-11-18 Manoj Gopalkrishnan

Binomial ideals are special polynomial ideals with many algorithmically and theoretically nice properties. We discuss the problem of deciding if a given polynomial ideal is binomial. While the methods are general, our main motivation and…

Combinatorics · Mathematics 2015-09-11 Carsten Conradi , Thomas Kahle

For dynamical systems arising from chemical reaction networks, persistence is the property that each species concentration remains positively bounded away from zero, as long as species concentrations were all positive in the beginning. We…

Dynamical Systems · Mathematics 2016-07-29 Michael Marcondes de Freitas , Elisenda Feliu , Carsten Wiuf

We introduce the boundary reproduction number, adapted from the next generation matrix method, to assess whether an infusion of species will persist or become exhausted in a chemical reaction system. Our main contributions are as follows:…

Molecular Networks · Quantitative Biology 2025-06-03 Matthew D. Johnston , Florin Avram

Chemical reaction network theory provides powerful tools for rigorously understanding chemical reactions and the dynamical systems and differential equations that represent them. A frequent issue with mathematical analyses of these networks…

Quantitative Methods · Quantitative Biology 2025-12-23 Joseph M. Sauder , Bruce P. Ayati , Ryan Kinser

Phase separation is the thermodynamic process that explains how droplets form in multicomponent fluids. These droplets can provide controlled compartments to localize chemical reactions, and reactions can also affect the droplets' dynamics.…

Soft Condensed Matter · Physics 2022-09-02 David Zwicker

The steady-state degree of a chemical reaction network is the number of complex steady-states, which is a measure of the algebraic complexity of solving the steady-state system. In general, the steady-state degree may be difficult to…

Combinatorics · Mathematics 2020-04-27 Elizabeth Gross , Cvetelina Hill

Computational techniques are required for narrowing down the vast space of possibilities to plausible prebiotic scenarios, since precise information on the molecular composition, the dominant reaction chemistry, and the conditions for that…

Molecular Networks · Quantitative Biology 2018-02-07 Jakob L. Andersen , Christoph Flamm , Daniel Merkle , Peter F. Stadler

We present a computational procedure to characterize the signs of sensitivities of steady states to parameter perturbations in chemical reaction networks.

Quantitative Methods · Quantitative Biology 2013-12-31 Eduardo D. Sontag

This paper develops the concept of decomposition for chemical reaction networks, based on which a network decomposition technique is proposed to capture the stability of large-scale networks characterized by a high number of species, high…

Dynamical Systems · Mathematics 2021-02-23 Yafei Lu , Chuanhou Gao , Denis Dochain

In networks of nonlinear oscillators, symmetries place hard constraints on the system that can be exploited to predict universal dynamical features and steady-states, providing a rare generic organizing principle for far-from-equilibrium…

Pattern Formation and Solitons · Physics 2021-03-02 Ian Hunter , Michael M. Norton , Bolun Chen , Chris Simonetti , Maria Eleni Moustaka , Jonathan Touboul , Seth Fraden

Steady state is an essential concept in reaction networks. Its stability reflects fundamental characteristics of several biological phenomena such as cellular signal transduction and gene expression. Because biochemical reactions occur at…

Molecular Networks · Quantitative Biology 2019-04-19 Tan Van Vu , Yoshihiko Hasegawa

Biochemical models that exhibit bistability are of interest to biologists and mathematicians alike. Chemical reaction network theory can provide sufficient conditions for the existence of bistability, and on the other hand can rule out the…

Dynamical Systems · Mathematics 2008-04-28 Anne Shiu

Within a fully microscopic setting, we derive a variational principle for the non-equilibrium steady states of chemical reaction networks, valid for time-scales over which chemical potentials can be taken to be slowly varying: at…

Molecular Networks · Quantitative Biology 2015-06-05 Andrea De Martino , Daniele De Martino , Roberto Mulet , Guido Uguzzoni

A stochastic model for a chemical reaction network is embedded in a one-parameter family of models with species numbers and rate constants scaled by powers of the parameter. A systematic approach is developed for determining appropriate…

Probability · Mathematics 2010-11-09 Hye-Won Kang , Thomas G. Kurtz

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
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