水合聚合物链的类蛋白质动态转变

L. Tavagnacco, M. Zanatta, E. Buratti, B. Rosi, B. Frick, F. Natali, J. Ollivier, E. Chiessi, M. Bertoldo, E. Zaccarelli, A. Orecchini
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引用次数: 7

摘要

结合不同分辨率的弹性非相干中子散射实验和分子动力学模拟,我们报道了在聚n-异丙基丙烯酰胺链中观察到的类似蛋白质的动力学转变。我们在温度Td约为225~K时确定了转变的开始。由于新的全局拟合程序,我们发现在所有温度和时间分辨率下测量和计算的聚合物均方位移之间的定量一致。我们的研究结果证实了水环境中大分子体系的动力学转变的普遍性,而与内部聚合物拓扑无关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Proteinlike dynamical transition of hydrated polymer chains
Combining elastic incoherent neutron scattering experiments at different resolutions and molecular dynamics simulations, we report the observation of a protein-like dynamical transition in Poly(N-isopropylacrylamide) chains. We identify the onset of the transition at a temperature Td 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.
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