论文标题
催化分子机器实现最佳能量的能源景观设计原理
Energy Landscape Design Principle for Optimal Energy Harnessing by Catalytic Molecular Machines
论文作者
论文摘要
在温度振荡下，循环分子机（例如催化剂和酶）可以利用振荡浴的能量，并使用它来驱动其他过程。使用一种新型的几何方法，在快速温度振荡下，我们得出了一种一般设计原理，用于获得最佳的催化能景观，该催化能量可以利用温度振荡的浴室来利用能量，并使用它来扭转自发反应。通过向自发方向驱动反应，催化剂将低自由能分子转换为高自由能反应物分子。用于任意循环催化剂的设计原理表示为一个简单的二次目标函数，仅取决于反应激活能，并且与温度方案无关。由于反应激活能可以通过实验测量直接访问，因此该目标函数可直接用于指导搜索最佳的能量收获催化剂。
Under temperature oscillation, cyclic molecular machines such as catalysts and enzymes could harness energy from the oscillatory bath and use it to drive other processes. Using a novel geometrical approach, under fast temperature oscillation, we derive a general design principle for obtaining the optimal catalytic energy landscape that can harness energy from a temperature-oscillatory bath and use it to invert a spontaneous reaction. By driving the reaction against the spontaneous direction, the catalysts convert low free energy product molecules to high free energy reactant molecules. The design principle, derived for arbitrary cyclic catalysts, is expressed as a simple quadratic objective function that only depends on the reaction activation energies, and is independent of the temperature protocol. Since the reaction activation energies are directly accessible by experimental measurements, the objective function can be directly used to guide the search for optimal energy-harvesting catalysts.
