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Interaction between tau and water during the induced aggregation revealed by near-infrared spectroscopy.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ( IF 4.3 ) Pub Date : 2020-01-08 , DOI: 10.1016/j.saa.2020.118046 Yan Sun 1 , Li Ma 1 , Wensheng Cai 1 , Xueguang Shao 1
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ( IF 4.3 ) Pub Date : 2020-01-08 , DOI: 10.1016/j.saa.2020.118046 Yan Sun 1 , Li Ma 1 , Wensheng Cai 1 , Xueguang Shao 1
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Near-infrared (NIR) spectra are sensitive to the variation of water structure. In this work, NIR spectroscopy was used to investigate the variation of hydration water during the aggregation of R2/wt induced by heparin. The osmolytes, urea and trehalose, were used to slow down and speed up the aggregation. The spectra of R2/wt aqueous solution obtained by NIR spectroscopy at 37 °C were adopted to analyze the structure of water during the aggregation. The spectral features of different water species were observed by principal component analysis (PCA) from the resolution enhanced NIR spectra. The existence of the water molecules with one and two hydrogen bonds around the NH and CH groups of R2/wt, respectively, was suggested, and the variation of the hydrogen-bonded water was found to be an indicator to monitor the process of aggregation. Then, the variation of the water species during the aggregation was analyzed by two-dimensional correlation spectroscopy. The water hydrogen bonded with NH group was found to change earlier than the water around the hydrophobic groups. The results suggest that β-sheet forms though the hydrogen bonds of amide groups in the early stage of the aggregation, and the destruction of the hydrogen bond network of the water around the side chains maybe the main reason for the formation of the ordered amyloid fibers.
中文翻译：
近红外光谱显示在诱导聚集过程中tau和水之间的相互作用。
近红外（NIR）光谱对水结构的变化敏感。在这项工作中，NIR光谱用于研究肝素诱导的R2 / wt聚集过程中水化水的变化。渗透剂尿素和海藻糖被用来减慢和加速聚集。采用NIR光谱仪在37℃下获得的R2 / wt水溶液的光谱图，分析了凝聚过程中水的结构。通过主成分分析（PCA）从分辨率增强的近红外光谱中观察到了不同水物种的光谱特征。建议在R2 / wt的NH和CH基团周围分别存在带有一个和两个氢键的水分子，发现氢键水的变化是监测聚集过程的指标。然后，利用二维相关光谱法分析了聚集过程中水体的变化。发现与NH基团键合的水氢比疏水基团周围的水更早地改变。结果表明，β-片层在聚合初期通过酰胺基的氢键形成，侧链周围水的氢键网络的破坏可能是形成有序淀粉样纤维的主要原因。 。
更新日期：2020-01-08
中文翻译：
近红外光谱显示在诱导聚集过程中tau和水之间的相互作用。
近红外（NIR）光谱对水结构的变化敏感。在这项工作中，NIR光谱用于研究肝素诱导的R2 / wt聚集过程中水化水的变化。渗透剂尿素和海藻糖被用来减慢和加速聚集。采用NIR光谱仪在37℃下获得的R2 / wt水溶液的光谱图，分析了凝聚过程中水的结构。通过主成分分析（PCA）从分辨率增强的近红外光谱中观察到了不同水物种的光谱特征。建议在R2 / wt的NH和CH基团周围分别存在带有一个和两个氢键的水分子，发现氢键水的变化是监测聚集过程的指标。然后，利用二维相关光谱法分析了聚集过程中水体的变化。发现与NH基团键合的水氢比疏水基团周围的水更早地改变。结果表明，β-片层在聚合初期通过酰胺基的氢键形成，侧链周围水的氢键网络的破坏可能是形成有序淀粉样纤维的主要原因。 。
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