Details of glucose solution near-infrared band assignment revealed the anomer difference in the structure and the interaction with water molecules
Details of glucose solution near-infrared band assignment revealed the anomer difference in the structure and the interaction with water molecules
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DOI：
10.1016/j.molliq.2020.114764
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发表时间：
2020-11
影响因子：
6
通讯作者：
Sae Tanaka;R. Tsenkova;M. Yasui
中科院分区：
文献类型：
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作者：
Sae Tanaka;R. Tsenkova;M. Yasui
葡萄糖不仅广泛用作生物体的能量来源、蛋白质的糖基化和耐旱性，而且其聚合和降解在工农业领域也很重要。了解碳水化合物和水分子之间的相互作用是必要的，因为大多数这些反应发生在水环境中。在近红外光谱领域，碳水化合物的水溶液是特征目标之一，但很少有研究直接阐明捕捉碳水化合物与周围水分子之间相互作用的近红外波段。对于葡萄糖溶液的波段分配，我们获得了氧化氘中两种葡萄糖端基异构体以及四种葡萄糖同位素的近红外光谱，并应用了近红外光谱。 对这些具有比旋光度的光谱进行偏最小二乘回归分析。因此，我们发现 1682-1823 nm 区域的葡萄糖端基异构体的不同光谱包含两个葡萄糖带和一个溶剂水带。据认为，两个葡萄糖谱带源自环外羟甲基 CH2 基团和 C1 碳上的 CH 基团，另一方面，1746 nm 处的溶剂水谱带源自与其中一个葡萄糖端基异构体特异性相互作用的水分子。利用葡萄糖的化学特性，我们在葡萄糖水溶液的近红外光谱中详细的谱带分配揭示了每种端基异构体结构的差异以及与水分子的相互作用。
Glucose is not only widely used as an energy source, glycosylation of protein, and drought tolerance in living organisms, but its polymerization and degradation are also important in the industrial and agricultural fields. Understanding the interaction between carbohydrate and water molecules is desirable because most of these reactions occur in an aqueous environment. In the field of near-infrared spectroscopy, the aqueous solution of carbohydrates is one of the featured targets, but few studies have clarified directly near-infrared band that captured the interaction between carbohydrates and the surrounding water molecules.For band assignment of glucose solution, we obtained near-infrared spectra of two glucose anomers in deuterium oxide as well as four types of glucose isotopes and applied a partial least squares regression analysis to these spectra with the specific rotation. Consequently, we found that different spectra of glucose anomers in the region of 1682–1823 nm contain two glucose bands and a solvent water band. It is considered that the two glucose bands originate from an exocyclic hydroxymethyl CH2 group and a CH group on the C1 carbon, on the other hand, the solvent water band at 1746 nm originate from water molecules that specifically interact with one of the glucose anomers. Taking advantage of the chemical characteristics of glucose, our detailed band assignment in the near-infrared spectrum of aqueous glucose solution revealed the difference of each anomer structure and interaction with water molecules.