论文标题
生物分子中能量激活的新型机制
A novel mechanism for energy activation in biomolecules
论文作者
论文摘要
活化过程包括能量激活和屏障交叉。前者是后者的先决条件。已经对障碍交叉进行了广泛的研究，但是由于缺乏衡量其进度的手段，能量激活被忽略了。我们将反应稳定性定义为反应性轨迹在相空间中经过附近的概率。它使我们能够分析生物分子异构化的能量激活。该过程遵循一种与标准反应速率理论中假定的机制根本不同的机制：它具有反应坐标中高动能的积累，这是通过动量空间协调的精确协同作用而实现的。
An activated process consists of energy activation and barrier crossing; the former is a prerequisite for the latter. Barrier crossing has been studied extensively, but energy activation has been overlooked due to a lack of means to gauge its progress. We define reaction stability as the probability that reactive trajectories pass a vicinity in phase space; it enabled us to analyze energy activation of a biomolecular isomerization. This process follows a mechanism fundamentally different from presumed mechanisms in standard reaction rate theories: it features accumulation of high kinetic energy in reaction coordinates, achieved by precise synergy between them coordinated by momentum space.
