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The self-assembly of plant cell wall components by single-molecule force spectroscopy and Monte Carlo modelling

机译:植物细胞壁成分的单分子力谱和蒙特卡洛模拟自组装

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The nature of the interaction between plant cell wall polysaccharides was investigated by force spectroscopy and computer simulations. Single xyloglucan molecules were tethered between a cellulose substrate and an atomic force microscope tip, which was cycled at rates from 0.1 to 7 Hz. The force-extension curves showed force plateaux of tens of piconewtons, in some cases multiple, with no clear rate dependence. Similar force plateaux were predicted by simulations of polymer chains adsorbed to a flat surface and a virtual cantilever, using a coarse-grained Monte Carlo approach. The simulated plateaux were five to ten times smaller than those obtained by experiment. The experimental plateau energies suggest that at least one hydrogen bond per backbone glucose residue is involved in the interaction. Multiple plateaux always decrease in height with extension, implying a self-tensioning system. This behaviour in a biological nanocomposite could have applications in the manufacture of novel synthetic nanocomposites.
机译:植物细胞壁多糖之间相互作用的性质通过力谱法和计算机模拟进行了研究。单木葡聚糖分子束缚在纤维素基质和原子力显微镜尖端之间,该尖端以0.1至7 Hz的频率循环。力-延伸曲线显示数十皮牛顿的力平稳期,在某些情况下为数倍,没有明显的速率依赖性。使用粗糙颗粒的蒙特卡洛方法,通过模拟吸附到平坦表面和虚拟悬臂上的聚合物链,可以预测出类似的受力平稳。模拟的高原比通过实验获得的高原小五到十倍。实验平台能量表明每个主链葡萄糖残基至少一个氢键参与相互作用。多个平台始终随着延伸而降低高度,这意味着一个自张紧系统。生物纳米复合材料中的这种行为可能会在新型合成纳米复合材料的制造中得到应用。

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