论文标题
用于细胞色素$ c $氧化酶的电解质中化学反应的数学模型：一种电渗透方法
Mathematical Model for Chemical Reactions in Electrolyte Applied to Cytochrome $c$ Oxidase: an Electro-osmotic Approach
论文作者
论文摘要
使用与经典热力学一致的能量变异方法开发了电解质中化学反应的数学模型。静电和化学反应包括在正确定义的能量和耗散功能中。将能量变化方法推广以处理带有电荷，质量和能量输入的开放系统。开放系统可以将一种类型的输入能量转换为另一种类型的输出能量。该通用方法用于分析细胞色素C氧化酶的电流转化为质子流，这是线粒体中一种重要的酶，有助于产生“生命的能量货币” ATP。氧化酶的结构指导根据广义理论的能量和耗散功能相互作用的电流和质量流动。当酶处于线粒体膜的自然环境时，Kirchhoff的现行法律提供了重要的耦合。酶的自然功能是结果。电子流转化为质子流和梯度。
A mathematical model for chemical reactions in electrolytes is developed using an Energy variational method consistent with classical thermodynamics. Electrostatics and chemical reactions are included in properly defined energetic and dissipative functionals. The energy variation method is generalized to deal with open systems with inputs of charge, mass, and energy. The open systems can transform input energy of one type into output energy of another type. The generalized method is used to analyze the conversion of electrical current into proton flow by cytochrome c oxidase, an important enzyme in mitochondria that helps generate the 'energetic currency of life' ATP. The structure of the oxidase guides flows of current and mass that interact according to the energetic and dissipative functionals of the generalized theory. Kirchhoff's current law provides important coupling when the enzyme is in its natural setting in the mitochondrial membrane. The natural function of the enzyme is the result. Electron flows are converted into proton flows and gradients.
