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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Changes in Water Structure Induced by the Guanidinium Cation and Implications for Protein Denaturation
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Changes in Water Structure Induced by the Guanidinium Cation and Implications for Protein Denaturation

机译：胍盐阳离子引起的水结构变化及其对蛋白质变性的影响

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摘要

The effect of the guanidinium cation on the hydrogen bonding strength of water was analyzed using temperature-excursion Fourier transform infrared spectra of the OH stretching vibration in 5% H2O/95% D2O solutions containing a range of different guanidine—HO and guanidine—HBr concentrations. Our findings indicate that the guanidinium cation causes the water H-bonds in solution to become more linear than those found in bulk water, and that it also inhibits the response of the H-bond network to increased temperature. Quantum chemical calculations also reveal that guanidinium affects both the charge distribution on water molecules directly H-bonded to it as well as the OH stretch frequency of H-bonds in which that water molecule is the donor. The implications of our findings to hydrophobic solvation and protein denaturation are discussed.
机译：使用在不同浓度的胍-HO和胍-HBr浓度为5％的H2O / 95％D2O溶液中的OH拉伸振动的温度偏移傅里叶变换红外光谱，分析了胍阳离子对水氢键强度的影响。 。我们的发现表明，胍阳离子导致溶液中的水H键变得比散装水中的线性更线性，并且还抑制了H键网络对温度升高的响应。量子化学计算还显示，胍不仅影响直接与氢键结​​合的水分子上的电荷分布，还影响该水分子作为供体的氢键的OH拉伸频率。讨论了我们的发现对疏水溶剂化和蛋白质变性的影响。

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