Department of Dermatology, Dongzhimen Hospital, Beijing University of Chinese Medicine, Beijing 100700, China.
School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang 110016, China.
J Tradit Chin Med. 2019 Feb;39(1):118-126.
To establish a method to analyze the commonalities and characteristics of the aqueous extracts from three Uighur medicines.
In this study, a combination method of three-stage infrared spectroscopy and ultra-performance liquid chromatography-time of flight-mass spectra (UPLC-TOF-MS) method was used to analyze the commonalities and characteristics of the aqueous extracts from Hezi (Fructus Chebulae), Maohezi (Terminalia Belliricae Fructus) and Xiqingguo (Chebulae Fructus Immaturus).
In Fourier transform-infrared spectroscopy spectra, all three samples showed the characteristic absorption peaks of tannins similarly. According to UPLC-TOF-MS data analysis, the difference of the position and intensity of the peaks at 1713- 1707 cm-1 in the three samples were related to the difference in the relative content of tannin and pentacyclic triterpenoids. In second derivative infrared spectroscopy spectra, further analysis of the differences in the infrared spectra of the three samples was performed by increasing the apparent resolution. In combination with UPLC-TOF-MS data, some features infrared absorption peaks were assigned. The absorption peaks at 1032-1030 cm-1 assigned to the stretching vibration of C-O-C (ether bond) groups of tannins; 1164-1163, 1063-1062, 1009- 1005, 904 cm-1 attributed to the stretching vibration of C-O (ether bond) and C-O-C groups of glycosidic compounds. 1385-1383 cm-1 attributed to the bending vibration of C-H (alkyl hydrogen) of methoxyl group of pentacyclic triterpenoids. Peak 835 cm-1 was assigned to the characteristic absorption peak of bending vibration of = C-H groups of pentacyclic triterpenoids. The two dimensional correlation infrared spectroscopy could further quickly distinguish three samples through the dynamic structural information of their chemical components and discrepancy of auto-peaks and cross- peaks intuitively in the range of 1720-419 cm-1.
By comparing the intensity of the infrared characteristic absorption peaks, the main chemical components were assigned, which significantly enriched and perfected the data analysis of the infrared spectra of three Uighur Medicines. It provided a rationale for the identification of medicinal materials with complex and similar chemical components using the three-stage infrared spectroscopy and UPLC-TOF-MS.
建立分析三种维吾尔药水提物共性和特征的方法。
本研究采用三段式红外光谱结合超高效液相色谱-飞行时间质谱(UPLC-TOF-MS)联用方法,分析诃子、毛诃子、西青果的水提物的共性和特征。
在傅里叶变换红外光谱中,三种样品均显示出类似的单宁特征吸收峰。根据 UPLC-TOF-MS 数据分析,三个样品在 1713-1707 cm-1 处的峰位置和强度的差异与单宁和五环三萜相对含量的差异有关。在二阶导数红外光谱中,通过增加表观分辨率进一步分析了三个样品的红外光谱差异。结合 UPLC-TOF-MS 数据,对一些特征红外吸收峰进行了归属。1032-1030 cm-1 处的吸收峰归属为单宁的 C-O-C(醚键)基团的伸缩振动;1164-1163、1063-1062、1009-1005、904 cm-1 归属为糖苷类化合物的 C-O(醚键)和 C-O-C 基团的伸缩振动;1385-1383 cm-1 归属为五环三萜甲氧基中烷基氢的弯曲振动;835 cm-1 处的峰归属为五环三萜的=C-H 基团的特征弯曲振动。二维相关红外光谱可以通过化学组分的动态结构信息,在 1720-419 cm-1 范围内直观地比较三个样品的自动峰和交叉峰的差异,快速区分三个样品。
通过比较红外特征吸收峰的强度,对主要化学成分进行了归属,极大地丰富和完善了三种维吾尔药红外光谱的数据解析,为采用三段式红外光谱结合 UPLC-TOF-MS 对具有复杂相似化学组分的药材进行鉴别提供了依据。