[3]-索烃非自主分子马达模型：几何相位、无泵浦定理与能量转导
A [3]-catenane non-autonomous molecular motor model: geometric phase, no-pumping theorem, and energy transduction
AI总结：
本文研究了由两个小环与大环互锁而成的[3]-索烃非自主分子马达模型，利用随机热力学解析了其在时间相关驱动下的动力学，揭示了无泵涌定理要求能量与势垒同时改变才能产生净运动，并在绝热极限下以曲面积分修正了小环净运动表达式，最后提出了阶跃驱动下优化电流与自由能转导的策略。
摘要：
我们研究了一种合成分子马达模型——由两个小环与一个大环机械互锁而成的[3]-索烃——利用随机热力学研究其在时间相关驱动下的行为。由于两个相互作用的小环，该模型呈现出非平凡特征，但在极限状态下足够简单，可进行解析处理。在所得结果中，我们发现了向等效[2]-索烃的映射，揭示了无泵浦定理的含义，即要产生小环的净运动，能量和势垒都必须改变。在绝热极限（慢驱动）下，我们完全表征了马达动力学，并表明小环的净运动表示为参数空间中的曲面积分，这纠正了先前的错误结果。我们还分析了在无外加负载和有外加负载时，马达在阶跃驱动协议下的性能。提出了产生大电流和最大化自由能转导的优化策略。这个简单模型为非自主分子马达的工作原理及其优化提供了有趣的线索。
英文摘要：
We study a model of synthetic molecular motor - a [3]-catenane consisting of two small macrocycles mechanically interlocked with a bigger one - subjected to a time-dependent driving using stochastic thermodynamics. The model presents nontrivial features due to the two interacting small macrocycles, but is simple enough to be treated analytically in limiting regimes. Among the results obtained, we find a mapping into an equivalent [2]-catenane that reveals the implications of the no-pumping theorem stating that to generate net motion of the small macrocycles, both energies and barriers need to change. In the adiabatic limit (slow driving), we fully characterize the motor's dynamics and show that the net motion of the small macrocycles is expressed as a surface integral in parameter space which corrects previous erroneous results. We also analyze the performance of the motor subjected to a step-wise driving protocols in absence and in presence of an applied load. Optimization strategies for generating large currents and maximizing free-energy transduction are proposed. This simple model provides interesting clues into the working principles of non-autonomous molecular motors and their optimization.
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