Graph-based, dynamics-preserving reduction of (bio)chemical systems

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-09-14 DOI:10.1007/s00285-024-02138-0
Marc R. Roussel, Talmon Soares
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Abstract

Complex dynamical systems are often governed by equations containing many unknown parameters whose precise values may or may not be important for the system’s dynamics. In particular, for chemical and biochemical systems, there may be some reactions or subsystems that are inessential to understanding the bifurcation structure and consequent behavior of a model, such as oscillations, multistationarity and patterning. Due to the size, complexity and parametric uncertainties of many (bio)chemical models, a dynamics-preserving reduction scheme that is able to isolate the necessary contributors to particular dynamical behaviors would be useful. In this contribution, we describe model reduction methods for mass-action (bio)chemical models based on the preservation of instability-generating subnetworks known as critical fragments. These methods focus on structural conditions for instabilities and so are parameter-independent. We apply these results to an existing model for the control of the synthesis of the NO-detoxifying enzyme Hmp in Escherichia coli that displays bistability.

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以图为基础,对(生物)化学系统进行动态保护性还原
复杂的动力学系统通常受包含许多未知参数的方程支配,这些参数的精确值对系统动力学可能重要,也可能不重要。特别是对于化学和生化系统而言,可能有一些反应或子系统对于理解模型的分岔结构和随之而来的行为(如振荡、多稳态和模式化)并不重要。由于许多(生物)化学模型的规模、复杂性和参数不确定性,一种能够分离出特定动力学行为的必要促成因素的动力学保留还原方案将非常有用。在本文中,我们介绍了基于保留不稳定性生成子网(称为临界片段)的质量作用(生物)化学模型还原方法。这些方法侧重于不稳定性的结构条件,因此与参数无关。我们将这些结果应用于大肠杆菌中氮氧化物解毒酶 Hmp 合成控制的现有模型,该模型显示出双稳态性。
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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