论文标题
水合聚合物链的蛋白质样动力转变
Protein-like dynamical transition of hydrated polymer chains
论文作者
论文摘要
在不同分辨率的弹性不一致的中子散射实验与分子动力学模拟相结合，我们报告了在聚（N-异丙基丙烯酰胺）线性链中观察到蛋白质样动力学跃迁。我们在温度$ t_d $约为225〜k的温度下确定过渡的开始。得益于一种新颖的全球拟合程序，我们发现在所有温度和时间分辨率下测得和计算的聚合物均值位移之间的定量一致性。我们的结果证实了大分子环境中大分子系统中动态跃迁的普遍性，而不是内部聚合物拓扑。
Combining elastic incoherent neutron scattering experiments at different resolutions with molecular dynamics simulations, we report the observation of a protein-like dynamical transition in linear chains of Poly(N-isopropylacrylamide). We identify the onset of the transition at a temperature $T_d$ of about 225~K. Thanks to a novel global fit procedure, we find quantitative agreement between measured and calculated polymer mean-squared displacements at all temperatures and time resolutions. Our results confirm the generality of the dynamical transition in macromolecular systems in aqueous environments, independently of the internal polymer topology.
