Understanding the infrared and Raman spectra of ganoderic acid A: An experimental and DFT study
Understanding the infrared and Raman spectra of ganoderic acid A: An experimental and DFT study
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了解灵芝酸 A 的红外和拉曼光谱：实验和 DFT 研究
DOI：
10.1016/j.saa.2018.11.019
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发表时间：
2019
期刊：
影响因子：
--
通讯作者：
Qing Huang
中科院分区：
文献类型：
--
作者：
Guohua Yao;Yuhan Ma;Muhammad Muhammad;Qing Huang
灵芝酸（GanodericAcids，GAs）是灵芝中的主要药用成分，自古以来就被用作中药.灵芝酸A（GAA）是文献中首次发现的灵芝酸类化合物，也是灵芝中含量最丰富的三萜类化合物之一。特别是GAA因其良好的药理活性而受到广泛的研究。然而，GAs的振动性质却很少被研究或报道。本文以典型的GAA为研究对象，在实验和DFT计算的基础上，对GAA的红外光谱和拉曼光谱进行了研究。因此，我们不仅可以实现振动模式的归属，而且从IR和拉曼光谱中，我们发现从1500 cm− 1到1800 cm− 1的光谱区域对于区分不同类型的GA特别有用。此外，它的脱氢衍生物ganoderenic acid A（果阿）也进行了研究，它可以被识别，由于其在1620 cm−1附近的强IR和拉曼带的光谱特征。本研究为红外和拉曼光谱在灵芝质量控制中的应用提供了依据。
Ganoderic Acids (GAs) are the major medicinal compounds inGanoderma lucidumused as traditional Chinese medicine since ancient times. Ganoderic acid A (GAA) is the first discovered ganoderic acids reported in the literature, which is also one of most abundant triterpenoids ofGanoderma lucidum. Especially, GAA has been extensively investigated in recent decades for its positive medicinal activities. However, the vibrational properties of GAs have rarely been studied or reported. In this work, we focused on the typical GAA and studied the infrared (IR) and Raman spectra based on both experiments and DFT calculations. As such, we could not only achieve the assignments of the vibrational modes, but also from the IR and Raman spectra, we found that the spectral region from 1500 cm−1to 1800 cm−1is particularly useful for distinguishing different types of GAs. In addition, its dehydrogenated derivative ganoderenic acid A (GOA) was also studied, which could be identified due to its spectral feature of strong IR and Raman bands around 1620 cm−1. This work therefore may facilitate the application of IR and Raman spectroscopies in the inspection and quality control ofGanoderma lucidum.