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Systematic Hydrogen‐Bond Manipulations To Establish Polysaccharide Structure–Property Correlations

机译:系统化的氢键操纵建立多糖结构-性能关联

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摘要

A dense hydrogen‐bond network is responsible for the mechanical and structural properties of polysaccharides. Random derivatization alters the properties of the bulk material by disrupting the hydrogen bonds, but obstructs detailed structure–function correlations. We have prepared well‐defined unnatural oligosaccharides including methylated, deoxygenated, deoxyfluorinated, as well as carboxymethylated cellulose and chitin analogues with full control over the degree and pattern of substitution. Molecular dynamics simulations and crystallographic analysis show how distinct hydrogen‐bond modifications drastically affect the solubility, aggregation behavior, and crystallinity of carbohydrate materials. This systematic approach to establishing detailed structure–property correlations will guide the synthesis of novel, tailor‐made carbohydrate materials.
机译:致密的氢键网络负责多糖的机械和结构特性。随机衍生化通过破坏氢键来改变散装材料的性能,但阻碍了详细的结构-功能相关性。我们已经制备了定义明确的非天然寡糖,包括甲基化,脱氧,脱氧氟化以及羧甲基化纤维素和几丁质类似物,可以完全控制取代的程度和模式。分子动力学模拟和晶体学分析表明,独特的氢键修饰如何极大地影响碳水化合物材料的溶解度,聚集行为和结晶度。建立详细的结构-性质相关性的这种系统方法将指导新颖的,量身定制的碳水化合物材料的合成。

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