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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Translational Diffusion of Dilute Aqueous Solutions of Sugars as Probed by NMR and Hydrodynamic Theory
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Translational Diffusion of Dilute Aqueous Solutions of Sugars as Probed by NMR and Hydrodynamic Theory

机译：核糖核酸和流体力学理论探讨糖的稀水溶液的平移扩散

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摘要

The translational diffusion coefficients of dilute aqueous solutions of a series of carbohydrates that differ in size and branching pattern have been measured with pulsed field gradient (PFG) NMR experiments. Accurate data have been obtained by calibrating the PFG with respect to several carbohydrates of known translational diffusion. The most satisfactory results were observed with the stimulated experiments when the pulse sequence was kept as short as possible and transverse relaxation was accounted for. The molecular dimensions of several of these sugars were determined from optimized theoretical models previously in exhaustive conformational searches and compared to those evaluated from hydrodynamic theory. It was demonstrated that cylindrically shaped oligosaccharides with maximum extension about 10 times that of the water radius display classical Stokes behavior. In such cases, a combined approach including analysis of translational diffusion coefficients and molecular modeling can reveal average molecular shape. These measurements are very rapid, and such a strategy is complementary to studies based on much more time-consuming NMR probes of rotational diffusion (homo- and heteronuclear relaxation data).
机译：已通过脉冲场梯度（PFG）NMR实验测量了大小和分支模式不同的一系列碳水化合物的稀水溶液的平移扩散系数。通过针对已知翻译扩散的几种碳水化合物对PFG进行校准，已经获得了准确的数据。当脉冲序列保持尽可能短并考虑了横向弛豫时，在刺激实验中观察到最满意的结果。这些糖中的几种的分子大小是根据先前在详尽的构象搜索中优化的理论模型确定的，并与根据流体动力学理论评估的那些模型进行了比较。结果表明，最大延伸量约为水半径的10倍的圆柱形寡糖表现出经典的Stokes行为。在这种情况下，包括平移扩散系数分析和分子建模在内的组合方法可以揭示平均分子形状。这些测量非常快速，并且这种策略是对基于旋转扩散（同核和异核弛豫数据）的更耗时的NMR探针的研究的补充。

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