Soft matter interactions at the molecular scale: interaction forces and energies between single hydrophobic model peptides.

Soft matter interactions at the molecular scale: interaction forces and energies between single hydrophobic model peptides.
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分子尺度的软物质相互作用:单个疏水模型肽之间的相互作用力和能量

DOI:
10.1039/c6cp07562b
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发表时间:
--
期刊:
Physical chemistry chemical physics : PCCP
影响因子:
--
通讯作者:
M. Valtiner
M. Valtiner
中科院分区:
--
文献类型:
--
作者:
P. Stock;T. Utzig;M. Valtiner

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在软物质研究的所有领域中,对基于分子相互作用的结构/性质关系的基本理解对于开发软材料的定向设计框架至关重要。然而,分子图像通常很难确定,但对于理解许多不同的相互作用是必不可少的,包括熵和协作性,水化效应,以及软物质的巨大设计空间。在这里,我们首次用原子力显微镜定量地表征了单个疏水分子之间的相互作用,并证明了单分子疏水相互作用自由能由最小相互作用疏水分子的面积决定。每个疏水单元的相互作用自由能为3-4kT。根据Bell-Evans理论,我们还发现疏水相互作用的过渡态相对于基态的位置为3?我们的结果为在单分子尺度上理解疏水相互作用的性质提供了一条新的途径。我们的方法使我们能够利用多肽化学系统地改变疏水性和任何其他相互作用类型,为在单分子尺度上解开分子表面和软物质相互作用提供了战略上的进步。
In all realms of soft matter research a fundamental understanding of the structure/property relationships based on molecular interactions is crucial for developing a framework for the targeted design of soft materials. However, a molecular picture is often difficult to ascertain and yet essential for understanding the many different competing interactions at play, including entropies and cooperativities, hydration effects, and the enormous design space of soft matter. Here, we characterized for the first time the interaction between single hydrophobic molecules quantitatively using atomic force microscopy, and demonstrated that single molecular hydrophobic interaction free energies are dominated by the area of the smallest interacting hydrophobe. The interaction free energy amounts to 3–4 kT per hydrophobic unit. Also, we find that the transition state of the hydrophobic interactions is located at 3 Å with respect to the ground state, based on Bell–Evans theory. Our results provide a new path for understanding the nature of hydrophobic interactions at the single molecular scale. Our approach enables us to systematically vary hydrophobic and any other interaction type by utilizing peptide chemistry providing a strategic advancement to unravel molecular surface and soft matter interactions at the single molecular scale.
DOI: 10.1016/s0006-3495(97)78802-7
发表时间: 1997-04-01
影响因子: 3.4
作者:
Evans, E;Ritchie, K
通讯作者: Ritchie, K
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发表时间: 2006-01-01
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粗粒水模型中疏水相互作用的长度尺度交叉。
DOI: 10.1103/physreve.88.052313
发表时间: 2013
期刊: Physical review. E, Statistical, nonlinear, and soft matter physics
影响因子: --
作者:
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通讯作者: M. Shell
您应该进行多少次试验来估计自由能差异?
DOI: --
发表时间: 2016
期刊:
影响因子: --
作者:
Nicole Yunger Halpern;C. Jarzynski
通讯作者: C. Jarzynski