红外光谱结合多元统计方法的不同产地红根草红外指纹图谱比较研究

红根草为唇形科鼠尾带根全草植物，是著名的广西道地药材和常用中药，对白血病细胞有很强的抑制作用，同时具有较强的抗菌活性和抗癌作用，主治菌莉、腹泻、肠炎、肺炎、急性咽喉炎、扁桃体炎、感冒等症。为快速鉴别和评价不同产地中药红根草主要化学成分的差异，该研究利用红外光谱对不同产地红根草进行检测，并结合主成分分析和聚类分析及载荷因子等方法对不同产地样本进行鉴别。结果表明：(1)在1800~600 cm-1范围内，不同产地红根草根系在1727、1635、1551、1513、1442、1373、1255、1154、1036、795、776、690 cm-1等处均有较强的振动吸收，表明不同产地红根草主要化学组分构成比较相似。(2)红外指纹图谱结合主成分和聚类分析结果表明，不同产地红根草化学成分的差异与地理位置有明显对应性，产地相近的地区红根草化学成分的较似，产地较远的区域红根草化学成分差异较大，但两种方法检测结果均有自己的特征。(3)通过PCA载荷因子分析，可以得出比原始图谱更多的化学成分信息，对主成分聚类贡献较大的吸收峰主要表现在1670、1630、1616、1579、1473、1411、1159、1129、1082、1042、1000、972、946、913、891、806 cm-1附近，进一步揭示出不同产地红根草化学成分差异主要是红根草内酯和甾醇类成分，以及主要有效成分红根草邻醌和丹参酮类成分的差异。该研究结果为红根草的引种栽培及良种选育研究提供了参考。

Comparison research on FTIR fingerprint of Salvia priontis based on fourier transform infrared spectroscopy combined with multistatistical analysis

Salvia prionti Hance is a famous genuine medicinal materials in Guangxi and commonly ustilized in traditional Chinese medicine. It has strong antibacterial activity and anticancer effects and mainly used to cure bacillary dysentery, diarrhea, enteritis, pneumonia, acute pharyngitis, tonsillitis, colds, etc. With the discovery of new effective components and expansion of medicinal range, S. prionitis has become a promising variety in the field of traditional Chinese medicine. In order to rapidly identify and evaluate the differences of chemical composition in S. priontis which from different original locations, we combined with the principal component analysis(PCA)and cluster analysis as well as loading factor analysis, and used the fourier transform infrared spectroscopy(FTIR)to determinate the samples of S. priontis from different original locations, so that it could be effective to find out the main chemical composition information of PCA cluster variations and rapidly authenticate the quality of different samples. The results indicated as follows:(1)The fingerprints of bands from 1 800 to 600 cm^-1 showed that the all samples of S. priontis had similar absorbance bands such as 1 727,1 635,1 551, 1 513, 1 442, 1 373, 1 255, 1 154, 1 036, 795, 776, 690 cm^-1, which indicated that the chemical compositions of S. priontis in different original locations were still relatively stable.(2)Based on the vibrational characteristics of FTIR fingerprints in differernt samples, the classification of principal composition and cluster analysis results showed that the relationship of chemical component of each S. priontis had significant correspondence with their geographical location and environment climatic conditions. In the near class, the chemical components were similar to each other, on contrary, the chemical component of S. priontis among in far class had obvious differences. So these two methods were both able to quckly identify S. priontis in different original locations, while, the two methods had individual characteristics.(3)According to the PCA loading factor analysis, more chemical components could be out found compared to the orgianl FTIR fingerprints among the different detected samples, and the absorption bands could also be quickly found out, which were significant contributed to the classification of principal components and cluster analysis. Among all the absorbtion bands, the bands arounds 1 670, 1 630, 1 616, 1 579, 1 473, 1 411, 1 159,1 129, 1 082, 1 042, 1 000, 972, 946, 913, 891, 806 cm^-1 were obviously correlated to the classfication of PCA, among which, five bands were from saprorthoquinone and tanshinone, six bands were from prioket-olactone, sterols components. Therefore, the differences of FTIR fingerprints in S. priontis from different original locations were mainly due to the differences of some chemical composition and concentration including prioketolactone, sterols components, saprorthoquinone and tanshinone. The method of this resarch is simple, quick and undamaged, and can be used to quickly identify and evaluate the quality of S. priontis from different original locations. At the same time, the present study will provide reference for cultivation and well-bred breeding work of S. Priontis.