质量守恒的基元动力学足以证明非平衡稳态浓度的存在
Mass conserved elementary kinetics is sufficient for the existence of a non-equilibrium steady state concentration
摘要：
生命系统通过与其环境交换质量和能量而被迫离开热力学平衡。为了模拟非平衡状态下的生化反应网络，需要一个数学公式来模拟这种强迫。我们提供了一个一般的配方，迫使任意大的动力学模型的方式，仍然是一致的非平衡稳态的存在。我们可以保证存在一个非平衡的稳定状态，假设只有两个条件：每个反应是质量平衡的，连续的动力学反应速率定律永远不会导致负的分子浓度。这些条件可以在多项式时间内得到验证，并且足够灵活，可以迫使系统远离平衡。在一个短暂的生化例子中，我们展示了如何一个可逆的，质量平衡的永久反应，具有不可行的动力学参数，可以用来永久地迫使厌氧糖酵解的动力学模型的方式与存在的稳定状态。易于测试的存在条件是可靠地计算基因组规模的生化动力学模型中的非平衡稳态的基础。
英文摘要：
Living systems are forced away from thermodynamic equilibrium by exchange of mass and energy with their environment. In order to model a biochemical reaction network in a non-equilibrium state one requires a mathematical formulation to mimic this forcing. We provide a general formulation to force an arbitrary large kinetic model in a manner that is still consistent with the existence of a non-equilibrium steady state. We can guarantee the existence of a non-equilibrium steady state assuming only two conditions; that every reaction is mass balanced and that continuous kinetic reaction rate laws never lead to a negative molecule concentration. These conditions can be verified in polynomial time and are flexible enough to permit one to force a system away from equilibrium. In an expository biochemical example we show how a reversible, mass balanced perpetual reaction, with thermodynamically infeasible kinetic parameters, can be used to perpetually force a kinetic model of anaerobic glycolysis in a manner consistent with the existence of a steady state. Easily testable existence conditions are foundational for efforts to reliably compute non-equilibrium steady states in genome-scale biochemical kinetic models.
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