Shen Yun-xia, Zhao Yan-li, Zhang Ji, Wang Yuan-zhong, Zhang Qing-zhi
Guang Pu Xue Yu Guang Pu Fen Xi. 2016 May;36(5):1369-73.
The Processing of traditional Chinese medicine (TCM) is the key to clinical application of TCM, and processing has functions such as enhancing the efficacy, attenuating the toxicity andmoderating medicine property. In order to the realizing safe, reasonable and effective use of medicine in clinical, research on identification of TCM processed products is of great significance. The Gentiana rigescens samples which processed with five different methods were discriminated by Fourier transform infrared spectroscopy (FTIR). Baseline correction and normalization were used to pretreat all original spectra and the noise was cut off. The spectra range was from 3 400 to 600 cm-1. The effect of multiple scattering correction and standard normal variable on the model were observed and compared. Samples were divided into calibration set and prediction set at the ratio of 3∶1. The principal component analysis (PCA) was applied to reduce data dimensionality and discriminant analysis model was established. The result indicated that the main absorption peaks of samples were 3 378, 2 922, 1 732, 1 610, 1 417, 1 366, 1 316, 1 271, 1 068, 1 048 cm- 1 which 1 738, 1 643, 1 613, 1 420, 1 051 cm-1 as to gentiopicrin; 1 068, 1 048, 935 cm-1 as to carbohydrate. The accumulation contribution rate of first three principal components is 94.05%. Most of the information reflected the original data. There were differences among different samples. The result of discriminant analysis showed that the recognition rate of G. rigescens samples could achieve to 100% based on baseline correction and normalization treatment combined with MSC with the precondition of principal component scores being 10. In conclusion, FTIR is a feasible, rapid and non-destructive method to discriminate G. rigescens samples wtih different processing methods. It also provided reference for discrimination of processed products of medicine materials.
中药炮制是中药临床应用的关键环节，炮制具有增强药效、降低毒性、缓和药性等作用。为实现临床用药安全、合理、有效，开展中药炮制品种鉴定研究具有重要意义。采用傅里叶变换红外光谱法（FTIR）对五种不同炮制方法炮制的滇龙胆样品进行鉴别。对所有原始光谱进行基线校正和归一化处理，并去除噪声。光谱范围为3400至600 cm-1。观察并比较了多元散射校正和标准正态变量对模型的影响。样品按3∶1的比例分为校正集和预测集。应用主成分分析（PCA）进行数据降维，并建立判别分析模型。结果表明，样品的主要吸收峰为3378、2922、1732、1610、1417、1366、1316、1271、1068、1048 cm-1，其中獐牙菜苦苷的吸收峰为1738、1643、1613、1420、1051 cm-1；糖类的吸收峰为1068、1048、935 cm-1。前三个主成分的累积贡献率为94.05%。大部分信息反映了原始数据。不同样品之间存在差异。判别分析结果表明，在主成分得分阈值为10的前提下，基于基线校正、归一化处理并结合多元散射校正的滇龙胆样品识别率可达100%。综上所述，FTIR是一种可行、快速、无损的鉴别不同炮制方法滇龙胆样品的方法，也为药材炮制品种的鉴别提供了参考。
