具有疏水斑块的聚合物的平衡形态和力延伸行为：淬火无序的作用
Equilibrium morphologies and force extension behavior for polymers with hydrophobic patches: Role of quenched disorder
摘要：
基于生物高分子的单分子实验，我们利用Langevin动力学模拟探讨了具有疏水链段的共聚物的平衡形态和力延伸行为。我们发现，不同的长度尺度之间的相互作用，即持久长度$\ell_{p}$，和无序相关长度$p$，除了疏水补丁的分数$f$发挥了重要作用，在改变平衡形态和机械响应。特别是，我们显示了过多的平衡形态，该系统，\textit{e.g.}核壳，循环（与杂交的疏水性部分），并延长线圈作为这些参数的函数。两种类型的珠之间的弯曲能和杂化能的竞争决定了平衡形态。此外，这种聚合物结构的机械性能关键取决于它们的天然构象，进而取决于沿链骨架的无序实现。因此，对于柔性链，所有无序实现都是通过张力实现小球到延伸线圈的转变。然而，对于不同的无序实现，力-延伸曲线的确切性质是不同的。与此相反，我们发现，力延伸行为的半柔性链与不同的平衡构型\textit{e.g.}核壳，环，\textit{etc.}揭示了力诱导的构象转变的级联。
英文摘要：
Motivated by single molecule experiments on biopolymers we explore equilibrium morphologies and force-extension behavior of copolymers with hydrophobic segments using Langevin dynamics simulations. We find that the interplay between different length scales, namely, the persistence length $\ell_{p}$, and the disorder correlation length $p$, in addition to the fraction of hydrophobic patches $f$ play a major role in altering the equilibrium morphologies and mechanical response. In particular, we show a plethora of equilibrium morphologies for this system, \textit{e.g.} core-shell, looped (with hybridised hydrophilic-hydrophobic sections), and extended coils as a function of these parameters. A competition of bending energy and hybridisation energies between two types of beads determines the equilibrium morphology. Further, mechanical properties of such polymer architectures are crucially dependent on their native conformations, and in turn on the disorder realisation along the chain backbone. Thus, for flexible chains, a globule to extended coil transition is effected via a tensile force for all disorder realisations. However, the exact nature of the force-extension curves are different for the different disorder realisations. In contrast, we find that force-extension behavior of semi-flexible chains with different equilibrium configurations \textit{e.g.} core-shell, looped, \textit{etc.} reveal a cascade of force-induced conformational transitions.
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