When sugars get wet. A comprehensive study of the behavior of water on the surface of oligosaccharides.
When sugars get wet. A comprehensive study of the behavior of water on the surface of oligosaccharides.
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当糖变湿时。
DOI：
10.1021/jp904981v
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
C. Margulis
中科院分区：
文献类型：
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作者：
Sai Kumar Ramadugu;Y. Chung;J. Xia;C. Margulis
在这篇文章中，我们表征了水在不同碳水化合物表面上的行为，并试图确定糖的大小，键合和分支以及二级结构对水在表面上的动力学和结构的作用。为了更好地了解碳水化合物表面上的溶剂的行为的相似性和差异，我们探索停留时间，旋转相关函数，局部溶剂占有数，和扩散系数。我们发现，由于二级结构的差异，水的停留时间较长，平移和旋转动力学延迟时，在与宽螺旋和支链糖接触。在延伸的螺旋和较小的寡糖的情况下，水动力学更快，阻碍更少。这表明支化、单体之间的连接类型和异头构型在确定碳水化合物表面上的水的结构和动力学方面都起着重要作用。
In this article, we characterize the behavior of water on the surface of a diverse group of carbohydrates and attempt to determine the role of saccharide size, linkage, and branching as well as secondary structure on the dynamics and structure of water at the surface. In order to better understand the similarities and differences in the behavior of the solvent on the carbohydrate surface, we explore residence times, rotational correlation functions, local solvent occupancy numbers, and diffusivities. We find that due to the differences in secondary structure water residence times are longer and translational and rotational dynamics are retarded when in contact with wide helices and branched sugars. In the case of extended helices and smaller oligosaccharides, water dynamics is faster and less hindered. This indicates that branching, the type of linkage between monomers, and the anomeric configuration all play a major role in determining the structure and dynamics of water on the surface of carbohydrates.
量化水在蛋白质-碳水化合物相互作用中的作用。
DOI：
10.1021/jp035027u
发表时间：
2003
期刊：
The journal of physical chemistry. A
影响因子：
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作者：
Tschampel,SarahM;Woods,RobertJ
通讯作者：
Woods,RobertJ