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We develop a thermodynamic framework for closed and open chemical networks applicable to non-elementary reactions that do not need to obey mass action kinetics. It only requires the knowledge of the kinetics and of the standard chemical…

统计力学 · 物理学 2020-09-16 Francesco Avanzini , Gianmaria Falasco , Massimiliano Esposito

Living systems operate in a critical dynamical regime -- between order and chaos -- where they are both resilient to perturbation, and flexible enough to evolve. To characterize such critical dynamics, the established 'structural theory' of…

分子网络 · 定量生物学 2022-01-28 Santosh Manicka , Manuel Marques-Pita , Luis M. Rocha

Chemical reaction networks are often used to model and understand biological processes such as cell signaling. Under the framework of chemical reaction network theory, a process is modeled with a directed graph and a choice of kinetics,…

组合数学 · 数学 2020-12-07 Mark Curiel , Elizabeth Gross , Carlos Munoz

The goal of this paper is to gather and develop some necessary and sufficient criteria for injectivity and multistationarity in vector fields associated with a chemical reaction network under a variety of more or less general assumptions on…

动力系统 · 数学 2016-10-28 Murad Banaji , Casian Pantea

Oscillations arise in many real-world systems and are associated with both functional and dysfunctional states. Whether a network can oscillate can be estimated if we know the strength of interaction between nodes. But in real-world…

神经元与认知 · 定量生物学 2023-11-16 Jie Zang , Shenquan Liu , Pascal Helson , Arvind Kumar

Autocatalysis, the ability of a chemical system to make more of itself, is a crucial feature in metabolism and is speculated to have played a decisive role in the origin of life. Nevertheless, how autocatalytic systems behave far from…

化学物理 · 物理学 2024-10-23 Armand Despons

Bistability is ubiquitous in biological systems. For example, bistability is found in many reaction networks that involve the control and execution of important biological functions, such as signalling processes. Positive feedback loops,…

分子网络 · 定量生物学 2014-10-29 Elisenda Feliu , Carsten Wiuf

Forecasting system behaviour near and across bifurcations is crucial for identifying potential shifts in dynamical systems. While machine learning has recently been used to learn critical transitions and bifurcation structures from data,…

机器学习 · 计算机科学 2025-11-14 Eva van Tegelen , George van Voorn , Ioannis Athanasiadis , Peter van Heijster

Autocatalytic systems are very often incorporated in the "origin of life" models, a connection that has been analyzed in the context of the classical hypercycles introduced by Manfred Eigen. We investigate the dynamics of certain networks…

动力系统 · 数学 2020-12-14 Gheorghe Craciun , Abhishek Deshpande , Badal Joshi , Polly Y. Yu

The recent success of large foundation models in artificial intelligence has prompted the emergence of chemical pre-trained models. Despite the growing interest in large molecular pre-trained models that provide informative representations…

机器学习 · 计算机科学 2025-05-26 Jinho Chang , Jong Chul Ye

Continuous-time Markov chains are frequently used as stochastic models for chemical reaction networks, especially in the growing field of systems biology. A fundamental problem for these Stochastic Chemical Reaction Networks (SCRNs) is to…

In living cells, biochemical reactions are catalyzed by specific enzymes and connect to one another by sharing substrates and products, forming complex networks. In our previous studies, we established a framework determining the responses…

分子网络 · 定量生物学 2017-09-06 Takashi Okada , Atsushi Mochizuki

In this paper, we present a general framework for constructively proving the existence and stability of stationary localized 1D solutions and saddle-node bifurcations in activator--inhibitor systems using computer-assisted proofs.…

偏微分方程分析 · 数学 2026-01-19 Dominic Blanco , Matthieu Cadiot , Daniel Fassler

Complex chemical reaction networks, which underlie many industrial and biological processes, often exhibit non-monotonic changes in chemical species concentrations, typically described using nonlinear models. Such non-monotonic dynamics are…

适应与自组织系统 · 物理学 2020-10-21 Zachary G. Nicolaou , Takashi Nishikawa , Schuyler B. Nicholson , Jason R. Green , Adilson E. Motter

This paper (parts I and II) provides an expository introduction to monotone and near-monotone dynamical systems associated to biochemical networks, those whose graphs are consistent or near-consistent. Many conclusions can be drawn from…

分子网络 · 定量生物学 2007-05-23 Eduardo D. Sontag

Several authors have reported that the echo state network reproduces bifurcation diagrams of some nonlinear differential equations using the data for a few control parameters. We demonstrate that a simpler feedforward neural network can…

混沌动力学 · 物理学 2024-09-13 Hidetsugu Sakaguchi

This paper (parts I and II) provides an expository introduction to monotone and near-monotone dynamical systems associated to biochemical networks, those whose graphs are consistent or near-consistent. Many conclusions can be drawn from…

分子网络 · 定量生物学 2007-05-23 Eduardo D. Sontag

The concept of (auto)catalytic systems has become a cornerstone in understanding evolutionary processes in various fields. The common ground is the observation that for the production of new species/goods/ideas/elements etc. the…

种群与进化 · 定量生物学 2009-11-13 Rudolf Hanel , Peter Klimek , Stefan Thurner

Theoretical results regarding two-dimensional ordinary-differential equations (ODEs) with second-degree polynomial right-hand sides are summarized, with an emphasis on limit cycles, limit cycle bifurcations and multistability. The results…

分子网络 · 定量生物学 2017-05-30 Tomislav Plesa , Tomas Vejchodsky , Radek Erban

In this article we present the influence of a Hamiltonian saddle-node bifurcation on the high-dimensional phase space structures that mediate reaction dynamics. To achieve this goal, we identify the phase space invariant manifolds using…

混沌动力学 · 物理学 2020-05-20 Víctor J. García-Garrido , Shibabrat Naik , Stephen Wiggins