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Mesoscopic simulation of single DNA dynamics in rotational flows

机译:旋转流中单个DNA动力学的介观模拟

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In this numerical study, the transport and dynamics of an isolated DNA in rotational flow generated in a microchannel have been investigated using dissipative particle dynamics. Often, inertial flow through microchannels with a sudden change in surface structure facilitates a re-circulation or vortex region. The conformation and mobility of the bio-polymer under the influence of such rotating fluid inside a square cavity of the microchannel is analyzed. The flexible polymer chain is found to migrate towards the rotating region and follows the vortex streamline. The orientation, size and tumbling period of polymer strands are affected by the strength of the microvortex. At elevated flow rates, the macromolecule prefers to remain inside the vortex and a hydrodynamic trap is formed. Moreover, residence time of the single molecule in the microcavity is significantly influenced by the chain length and flow strength. Further, it has been demonstrated that, such entrapment duration can be strategically altered by modifying the hydrophobicity of the microchannel.
机译:在此数值研究中,已使用耗散粒子动力学研究了在微通道中产生的旋转流中分离的DNA的运输和动力学。通常,惯性流过表面结构突然改变的微通道会促进再循环或涡旋区域。分析了在微通道方腔内这种旋转流体的影响下生物聚合物的构象和迁移率。发现柔性聚合物链向旋转区域迁移并遵循涡流线。聚合物股线的取向,大小和翻滚周期受微涡旋强度的影响。在高流速下,大分子倾向于留在涡流内部,并形成了流体动力阱。此外,单分子在微腔中的停留时间受链长和流动强度的影响很大。此外,已经证明,可以通过改变微通道的疏水性来策略性地改变这种截留时间。

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