带电聚合物与带电纳米粒子相互作用的构象动力学
Conformational dynamics of charged polymers interacting with charged nanoparticles
摘要：
在剪切流中，生物聚合物从球状到伸长状态的转变发生在不同的临界剪切速率$\dot{γ}^{*}$下。$\dot{γ}^{*}$的大小取决于内部电势和聚合物长度。例如，与DNA相比，血管性血友病因子（vWF）的临界剪切大得多。此外，通过vWF（模型-vWF）的计算分析显示，$\dot{γ}^{*}\sim N^{1/3}$，其中N是vWF中二聚体单元的数目。在这项研究中，我们表明，在带电的纳米粒子（CNP）和聚合物的存在下，临界剪切速率尺度不同，这取决于聚合物的长度和电荷强度的CNP。结果表明，CNP改变剪切流动下的聚合物的构象动力学时，聚合物珠具有相反的电荷。CNP的引入改变了临界剪切速率并改变了结垢。此外，它表明，CNP的临界zeta电位，$ζ^{*}$，与剪切速率成线性比例，并与最终CNP-聚合物复合物尺寸和原始聚合物尺寸之间的比例$β$，即$ζ^{*}\sim \dot{γ}β^{-3}$成立方比例。
英文摘要：
The transition from globular to elongated states of biopolymers in shear flow occurs at a distinct critical shear rate, $\dot{γ}^{*}$. The magnitude of $\dot{γ}^{*}$ depends on the internal potential and the polymer length. For example, the critical shear is much larger for von Willebrand Factor (vWF) compared to DNA. Furthermore, it is shown through computational analysis of vWF (model-vWF) that $\dot{γ}^{*}\sim N^{1/3}$, where N is the number of dimeric units in the vWF. In this study, we show that in the presence of charged nanoparticles (CNP) and polymer, the critical shear rate scales differently depending on the polymer length and the charge-strength of the CNP. It is shown that CNP alter the conformational dynamics of polymers under shear flow when the polymer beads have an opposite charge. The introduction of CNP shifts the critical shear rate and alters the scaling. Furthermore, it is shown that the critical zeta potential of CNP, $ζ^{*}$, scales linearly with shear rate, and scales cubically with ratio $β$ between final CNP-polymer composite size and original polymer size, that is $ζ^{*}\sim \dot{γ}β^{-3}$.
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