自推进示踪剂通过多毛圆柱形通道的传输：粘性和活性的相互作用
Transport of a self-propelled tracer through a hairy cylindrical channel: interplay of stickiness and activity
摘要：
由马达蛋白辅助的生物分子的主动运输对于细胞活动的正常运作是必要的。受拥挤的细胞通道中的活性剂的扩散的启发，我们计算研究通过聚合物接枝的圆柱形通道的活性示踪剂的运输通过改变示踪剂的活性和示踪剂的粘性的聚合物。我们的研究结果表明，被动示踪剂表现出深刻的亚扩散，增加粘性，通过探索深入到接枝聚合物区，而纯粹的排斥一个更喜欢通过沿圆柱轴的通道创建的孔状空间扩散。相反，活性示踪剂显示更快的动力学和中间超扩散，即使示踪剂优先保持接近致密的聚合物区域。示踪剂径向位移概率密度分布中的尖峰进一步支持了这一观察结果。我们发现，活性在决定示踪剂通过狭窄通道的途径中起着重要的作用。有趣的是，增加活性会抵消粘性的影响。此外，van-Hove函数表明，活性示踪剂动力学偏离高斯性，偏离程度随着活性的增加而增加。我们的工作直接影响到如何有效的运输和交付货物可以通过一个有限的介质中的活动，相互作用和拥挤的相互作用。展望未来，这些因素对于理解人工自供电机器通过细胞通道导航和执行体内挑战性任务的机制至关重要。
英文摘要：
Active transport of biomolecules assisted by motor proteins is imperative for the proper functioning of cellular activities. Inspired by the diffusion of active agents in crowded cellular channels, we computationally investigate the transport of an active tracer through a polymer grafted cylindrical channel by varying the activity of the tracer and stickiness of the tracer to the polymers. Our results reveal that the passive tracer exhibits profound subdiffusion with increasing stickiness by exploring deep into the grafted polymeric zone, while purely repulsive one prefers to diffuse through the pore-like space created along the cylindrical axis of the channel. In contrast, the active tracer shows faster dynamics and intermediate superdiffusion even though the tracer preferentially stays close to the dense polymeric region. This observation is further supported by the sharp peaks in the density profile of the probability of radial displacement of the tracer. We discover that the activity plays an important role in deciding the pathway that the tracer takes through the narrow channel. Interestingly, increasing the activity washes out the effect of stickiness. Adding to this, van-Hove functions manifest that the active tracer dynamics deviates from Gaussianity, and the degree of deviation grows with the activity. Our work has direct implications on how effective transportation and delivery of cargo can be achieved through a confined medium where activity, interactions, and crowding are interplaying. Looking ahead, these factors will be crucial for understanding the mechanism of artificial self-powered machines navigating through the cellular channels and performing in vivo challenging tasks.
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