生物分子能量激活的新机制
A novel mechanism for energy activation in biomolecules
摘要：
活化过程包括能量活化和势垒跨越，前者是后者的先决条件。势垒穿越已经被广泛研究，但由于缺乏衡量其进展的手段，能量激活一直被忽视。我们将反应稳定性定义为反应轨迹在相空间中通过附近的概率;它使我们能够分析生物分子异构化的能量活化。该过程遵循与标准反应速率理论中的假定机制根本不同的机制：其特征在于在反应坐标中积累高动能，通过动量空间协调的它们之间的精确协同作用来实现。
英文摘要：
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.
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