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Pectin Conformation in Solution
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2018-07-13 , DOI: 10.1021/acs.jpcb.8b04790 K. Alba 1 , R. J. Bingham 1 , P. A. Gunning 2 , P. J. Wilde 2 , V. Kontogiorgos 1
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2018-07-13 , DOI: 10.1021/acs.jpcb.8b04790 K. Alba 1 , R. J. Bingham 1 , P. A. Gunning 2 , P. J. Wilde 2 , V. Kontogiorgos 1
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The interplay of degree of methylesterification (DM), pH, temperature, and concentration on the macromolecular interactions of pectin in solution has been explored. Small-angle X-ray scattering complemented by atomic force microscopy and molecular dynamics was employed to probe chain dimensions and solution structure. Two length scales have been observed with the first level of structure characterising chain clusters with sizes ranging between 100–200 nm. The second level of structure arises from single biopolymer chains with a radius of gyration between ∼6 and 42 nm. The development of a range of macromolecular dimensions in vitro and in silico shows that the chain flexibility increases with DM and at acidic pH, whereas hydrogen bonding is the responsible thermodynamic driving force for cluster formation. High methyl pectins create structures of lower fractal dimension with less efficient packing. This work unveils pectin conformations covering most of its industrially and biologically relevant environments, enabling rational design of advanced biomaterials based on pectin.
中文翻译：
溶液中的果胶构象
研究了甲基酯化度（DM），pH，温度和浓度对溶液中果胶大分子相互作用的相互作用。小角X射线散射辅以原子力显微镜和分子动力学来探测链的尺寸和溶液结构。已经观察到两个长度尺度，其第一级结构表征链簇的大小在100-200 nm之间。第二级结构来自单个生物聚合物链，其回转半径在约6至42 nm之间。体外和计算机模拟的一系列大分子尺寸的发展表明，链的柔性随着DM和在酸性pH下的增加而增加，而氢键是形成团簇的主要热力学驱动力。高甲基果胶会产生较低分形维数的结构，从而降低包装效率。这项工作揭示了涵盖大多数工业和生物相关环境的果胶构象，从而能够合理设计基于果胶的先进生物材料。
更新日期：2018-07-14
中文翻译：
溶液中的果胶构象
研究了甲基酯化度（DM），pH，温度和浓度对溶液中果胶大分子相互作用的相互作用。小角X射线散射辅以原子力显微镜和分子动力学来探测链的尺寸和溶液结构。已经观察到两个长度尺度，其第一级结构表征链簇的大小在100-200 nm之间。第二级结构来自单个生物聚合物链，其回转半径在约6至42 nm之间。体外和计算机模拟的一系列大分子尺寸的发展表明，链的柔性随着DM和在酸性pH下的增加而增加，而氢键是形成团簇的主要热力学驱动力。高甲基果胶会产生较低分形维数的结构，从而降低包装效率。这项工作揭示了涵盖大多数工业和生物相关环境的果胶构象，从而能够合理设计基于果胶的先进生物材料。
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