红外光谱结合化学计量学鉴别中药白及和其伪品“水白及”  

Identification of Bletillae Rhizoma and Its Conterfeits“shuibaiji”by Infrared Spectroscopy Combined with Chemometrics

作　　者：刘想晴 程旺兴 秦亚东[1] LIU Xingqing;CHENG Wangxing;QIN Yadong(Department of pharmacy,Anhui College of Traditional Chinese Medicine,Wuhu,Anhui 241000,China;College of pharmacy,Anhui University of Chinese Medicine,Hefei,Anhui 230012,China)

机构地区：[1]安徽中医药高等专科学校药学系,安徽芜湖241000 [2]安徽中医药大学药学院,安徽合肥230012

出　　处：《九江学院学报（自然科学版）》2023年第1期113-119,共7页Journal of Jiujiang University：Natural Science Edition

基　　金：安徽高校自然科学研究项目(KJ2019A1089;KJ2019A1086);2021年高校优秀青年骨干教师国内访学研修项目(gxgnfx2021184);安徽省质量工程项目(2020jyxm1056、2021gkszgg042);安徽省示范课;安徽省高校学科(专业)拔尖人才学术资助项目(gxbjZD2021103)的研究成果之一。

摘　　要：目的基于红外光谱结合化学计量学建立白及和“水白及”的鉴别方法,为白及的鉴别提供一定的依据。方法利用傅里叶变换红外光谱仪采集白及和“水白及”37批样品的红外光谱图,并进行自动平滑、二阶求导等预处理,采用系统聚类分析(HCA)、主成分分析(PCA)及正交偏最小二乘判别分析(OPLS-DA)对白及和“水白及”的光谱数据进行分析。结果白及和“水白及”的红外光谱图有差异。二阶导数光谱图中,白及和“水白及”在1800~800 cm-1峰位、峰形及峰强存在明显差异。系统聚类分析(HCA)表明,当欧氏距离为5时,白及和“水白及”聚为两类;PCA和OPLS-DA的分析结果一致,白及和“水白及”分别分布在t[1]象限负值区和正值区,其中OPLS-DA的分类结果最突出。结论红外光谱结合化学计量学方法,能快速简便的鉴别白及和“水白及”,为白及的质量评价提供了一种快速、有效的方法。Objective To establish a method for the identification of Bletillae Rhizoma and“shuibaiji”based on infrared spectroscopy combined with chemometrics,and to provide a basis for the identification of Bletillae Rhizoma.Method Fourier transform infrared spectrometer-conferred infrared data for thirty-seven batches of Bletillae Rhizoma and“shuibaiji”were optimized by the pre-processing methods such as second order derivative,automatic smoothing,and were further analyzed by chemometrics,such as hierarchical cluster analysis(HCA),principal component analysis(PCA)and orthogonal partial least squares discriminant analysis(OPLS-DA).Result There were differences in the infrared fingerprints of Bletillae Rhizoma and“shuibaiji”.In the second derivative spectra,there were obvious differences between Bletillae Rhizoma and“shuibaiji”in peak position,peak shape and peak intensity from 1800 to 800 cm-1.Systematic cluster analysis(HCA)showed that when Euclidean distance was 5,Bletillae Rhizoma and“shuibaiji”cluster into two categories.The analysis results of PCA and OPLS-DA were consistent,and Bletillae Rhizoma were distributed in the negative quadrant of t[1],while“shuibaiji”were distributed in the positive quadrant of t[1].The classification results of OPLS-DA were the most prominent.Conclusion Infrared spectroscopy combined with chemometrics could easily and quickly identify Bletillae Rhizoma and“shuibaiji”,and provide reference for the quality evaluation of Bletillae Rhizoma.

关 键 词：白及 混伪品 鉴别 化学计量学 系统聚类分析 主成分分析 偏最小二乘判别分析 

分 类 号：R285.5[医药卫生—中药学]