Energy landscape design principle for optimal energy harnessing by catalytic molecular machines
Energy landscape design principle for optimal energy harnessing by catalytic molecular machines
复制标题
催化分子机器优化能源利用的能源景观设计原理
DOI：
10.1103/physreve.107.l012102
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发表时间：
2023
影响因子：
2.4
通讯作者：
Lu, Zhiyue
中科院分区：
文献类型：
--
作者：
Zhang, Zhongmin;Du, Vincent;Lu, Zhiyue
在温度振荡下，催化剂和酶等循环分子机器可以利用振荡浴的能量，并利用它来驱动其他过程。使用另一种几何方法，在快速的温度振荡下，我们推导出一个通用的设计原则，用于获得最佳的催化能量景观，可以利用能量从温度振荡浴，并用它来反转自发反应。通过逆着自发方向驱动反应，催化剂将低自由能产物分子转化为高自由能反应物分子。的设计原则，推导出任意循环催化剂，表示为一个简单的二次目标函数，只依赖于反应活化能，是独立的温度协议。由于反应活化能可以通过实验测量直接获得，因此目标函数可以直接用于指导寻找最佳能量收集催化剂。
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 an alternative 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.