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Entropy production for mechanically or chemically driven biomolecules

机译:机械或化学驱动生物分子的熵产生

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Entropy production along a single stochastic trajectory of a biomolecule is discussed for two different sources of non-equilibrium. For a molecule manipulated mechanically by an AFM or an optical tweezer, entropy production (or annihilation) occurs in the molecular conformation proper or in the surrounding medium. Within a Langevin dynamics, a unique identification of these two contributions is possible. The total entropy change obeys an integral fluctuation theorem and a class of further exact relations, which we prove for arbitrarily coupled slow degrees of freedom including hydrodynamic interactions. These theoretical results can therefore also be applied to driven colloidal systems. For transitions between different internal conformations of a biomolecule involving unbalanced chemical reactions, we provide a thermodynamically consistent formulation and identify again the two sources of entropy production, which obey similar exact relations. We clarify the particular role degenerate states have in such a description.
机译:对于两种不同的非平衡源,讨论了沿着生物分子的单个随机轨迹产生的熵。对于由AFM或光学镊子机械操纵的分子,在适当的分子构象或周围介质中会产生熵(或an灭)。在Langevin动力学中,这两个贡献的唯一标识是可能的。总熵的变化服从积分涨落定理和一类进一步的精确关系,对于任意耦合的包括流体动力相互作用的缓慢自由度,我们证明了这一点。这些理论结果因此也可以应用于驱动胶体系统。对于涉及不平衡化学反应的生物分子不同内部构象之间的过渡,我们提供了热力学一致的制剂,并再次确定了遵循相似精确关系的两种熵产生来源。我们阐明了简并状态在这种描述中的特殊作用。

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