芦荟中芦荟苷的结构表征及光谱分析

芦荟以其丰富的多糖、蛋白质、氨基酸、维生素、活性酶及对人体有益的微量元素被广泛用于各个领域。然而其主要活性成分芦荟苷同时也是一种致敏成分，更有甚者可能会引起严重的过敏反应。将红外、拉曼光谱应用于芦荟苷结构的表征，并将密度泛函数理论应用到理论计算中，利用B3LYP/6-31G(d)基组分析振动，可以更好地理解芦荟苷分子的振动频率。通过比较溶液的酸碱性以及最佳溶剂，最终选定在中性条件下，水作为溶剂为最佳实验条件，测定芦荟苷的检测限可以达到5 ppm的水平，为芦荟苷含量的快速检测奠定了理论基础。

Structural Characterization and Spectroscopic Analysis of the Aloin

Aloe is widely used in various fields for its rich polysaccharides, proteins, amino acids, vitamins, active enzymes and trace beneficial elements to human body. However, the main active ingredient aloin is also an allergenic ingredient, which even may cause a severe allergic reaction. In this study, infrared spectroscopy, Raman spectroscopy applied to the structural characterization of the aloin. Density functional theory (DFT) is applied to the theoretical calculations using the B3LYP/6-31G (d) basis set vibration, which was helpful to understand the aloin molecular vibrational frequency. By comparing we choose the optimal experimental condition for water as solvent under alkaline conditions, the detection limit of the Aloin can reach a level of 5 ppm, which can be considered the theoretical basis for rapid detection of aloin content.