Energy conservation and maximal entropy production in enzyme reactions

Dobovišek, Andrej; Vitas, Marko; Brumen, Milan; Fajmut, Aleš

doi:10.1016/j.biosystems.2017.06.001

Cited by 12 publications

(19 citation statements)

References 42 publications

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“…As a selection principle, MEPP has been used in a variety of applications, from the study of enzyme kinetics [14] to the spatial organization of vegetation in river basins [21].…”

Section: Navier-stokes and Euler Equations: Prior Resultsmentioning

confidence: 99%

Maximum entropy production as a necessary admissibility condition for the fluid Navier–Stokes and Euler equations

Glimm

Lazarev

2020

SN Appl. Sci.

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“…As a selection principle, MEPP has been used in a variety of applications, from the study of enzyme kinetics [14] to the spatial organization of vegetation in river basins [21].…”

Section: Navier-stokes and Euler Equations: Prior Resultsmentioning

confidence: 99%

Maximum entropy production as a necessary admissibility condition for the fluid Navier–Stokes and Euler equations

Glimm

Lazarev

2020

SN Appl. Sci.

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“…In the model of central metabolism used here, enzyme kinetics are represented as the summary reaction of the catalytic process. Dobovišek et al have shown that the maximum entropy production principle can be used to evaluate enzyme kinetics, as well [45,46]. In this study, for convenience the enzyme catalysts are not explicitly represented in the model except for regulation.…”

Section: Discussionmentioning

confidence: 99%

Prediction of Metabolite Concentrations, Rate Constants and Post-Translational Regulation Using Maximum Entropy-Based Simulations with Application to Central Metabolism of Neurospora crassa

et al. 2018

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We report the application of a recently proposed approach for modeling biological systems using a maximum entropy production rate principle in lieu of having in vivo rate constants. The method is applied in four steps: (1) a new ordinary differential equation (ODE) based optimization approach based on Marcelin's 1910 mass action equation is used to obtain the maximum entropy distribution; (2) the predicted metabolite concentrations are compared to those generally expected from experiments using a loss function from which post-translational regulation of enzymes is inferred; (3) the system is re-optimized with the inferred regulation from which rate constants are determined from the metabolite concentrations and reaction fluxes; and finally (4) a full ODE-based, mass action simulation with rate parameters and allosteric regulation is obtained. From the last step, the power characteristics and resistance of each reaction can be determined. The method is applied to the central metabolism of Neurospora crassa and the flow of material through the three competing pathways of upper glycolysis, the non-oxidative pentose phosphate pathway, and the oxidative pentose phosphate pathway are evaluated as a function of the NADP/NADPH ratio. It is predicted that regulation of phosphofructokinase (PFK) and flow through the pentose phosphate pathway are essential for preventing an extreme level of fructose 1,6-bisphophate accumulation. Such an extreme level of fructose 1,6-bisphophate would otherwise result in a glassy cytoplasm with limited diffusion, dramatically decreasing the entropy and energy production rate and, consequently, biological competitiveness.

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“…. This principle has been empirically validated for many domains, such as 36 the atmosphere [11] [6] [9], crystallization [5], enzyme reactions [3] and the economy [4].…”

Section: Maximization Of Entropy-productionmentioning

confidence: 99%

A Statistical Inference of the Principle of Maximum Entropy Production

Veening¹

2021

Preprint

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The maximization of entropy S within a closed system is accepted as an inevitability (as the second law of thermodynamics) by statistical inference alone. The Maximum Entropy Production Principle (MEPP) states that not only S maximizes, but $\dot{S}$ as well: a system will dissipate as fast as possible. There is still no consensus on the general validity of this MEPP, even though it shows remarkable explanatory power (both qualitatively and quantitatively), and has been empirically demonstrated for many domains. In this theoretical paper I provide a generalization of entropy gradients, to show that the MEPP actually follows from the same statistical inference, as that of the 2nd law of thermodynamics. For this generalization I only use the concepts of super-statespaces and microstate-density. These concepts also allow for the abstraction of 'Self Organizing Criticality' to a bifurcating local difference in this density, and allow for a generalization of the fundamentally unresolved concepts of 'chaos' and 'order'.

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Energy conservation and maximal entropy production in enzyme reactions

Cited by 12 publications

References 42 publications

Maximum entropy production as a necessary admissibility condition for the fluid Navier–Stokes and Euler equations

Maximum entropy production as a necessary admissibility condition for the fluid Navier–Stokes and Euler equations

Prediction of Metabolite Concentrations, Rate Constants and Post-Translational Regulation Using Maximum Entropy-Based Simulations with Application to Central Metabolism of Neurospora crassa

A Statistical Inference of the Principle of Maximum Entropy Production

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