近红外光谱技术快速鉴别重楼及其混伪品  

Rapid identification of Paridis Rhizoma and its adulterants by near-infrared spectroscopy

作　　者：郑加梅 廖彬彬 杨萍 杨丽武 杨晓菊 段宝忠 ZHENG Jiamei;LIAO Binbin;YANG Ping;YANG Liwu;YANG Xiaoju;DUAN Baozhong(College of Pharmacy,Dali University,Dali 671000,China;International Joint Laboratory for the Development and Utilization of Traditional Chinese Medicine Resources in Yunnan Province,Baoshan 678000,China;Dali Weimin Traditional Chinese Medicine Planting Co.,Ltd.,Dali 671000,China)

机构地区：[1]大理大学药学院,云南大理671000 [2]云南省中药资源开发利用国际联合实验室,云南保山678000 [3]大理为民中草药种植有限公司,云南大理671000

出　　处：《中草药》2024年第13期4545-4554,共10页Chinese Traditional and Herbal Drugs

基　　金：云南省院士专家工作站(202205AF150026);国家自然科学基金项目资助(31860080)。

摘　　要：目的建立重楼及其混伪品的近红外光谱(near-infrared spectroscopy,NIRS)快速鉴别方法。方法采用NIRS仪获取样品光谱数据,结合主成分分析(principal component analysis,PCA)、正交偏最小二乘判别分析(orthogonal partial least squares discriminant analysis,OPLS-DA)、线性判别分析(linear discriminant analysis,LDA)、人工神经网络机器学习算法(artificial neural network,ANN)和二维红外光谱(2D-IR),探讨NIRS技术在重楼及其混伪品快速鉴别的可行性。结果重楼及其混伪品的NIRS光谱吸收峰的峰形整体相似,但在峰数和峰强方面均存在一定差异。PCA和OPLS-DA判别模型可将重楼及其混伪品区分,但模型预测能力差(Q^(2)<0.5);LDA模型可将滇重楼与其他物种进行区分,但无法区分七叶一枝花的部分样本;ANN模型识别准确率达100.0%,不同物种的2D-IR图谱在5897~5600 cm^(-1)和4497~4200cm^(-1)差异显著。结论重楼及其混伪品的化学信息差异明显,不可混用。NIRS结合ANN模型或2D-IR方法可用于重楼及其混伪品的快速鉴别。Objective To establish a rapid identification method for Paridis Rhizoma using near-infrared spectroscopy(NIRS).Methods The spectral data of the sample were obtained by NIRS instrument.Subsequently,the feasibility of NIRS in identifying Paridis Rhizoma and its adulterants was explored by using principal component analysis(PCA),orthogonal partial least squares discriminant analysis(OPLS-DA),linear discriminant analysis(LDA),artificial neural network(ANN),and two-dimensional infrared spectroscopy(2D-IR).Results The original spectral images of Paridis Rhizoma and its adulterants exhibited similar shapes overall,but differences were observed in the number and intensity of peaks.Although the PCA and OPLS-DA discrimination model successfully separated Paridis Rhizoma from its adulterants,it displayed poor predictive ability(Q^(2)<0.5);The LDA model could differentiate Paris polyphylla var.yunnanensis from other species,but face challenges in distinguishing certain samples of P.polyphylla var.chinensis;In contrast,ANN model demonstrated a clear advantage in identifying Paridis Rhizoma and its adulterants with a recognition accuracy of 100.0%.Additionally,the 2D-IR spectra of different species were significant differences between 5897-5600 cm^(-1) and 4497-4200 cm^(-1) regions.Conclusion There are notable chemical distinctions between Paridis Rhizoma and its adulterants that necessitate differentiation for proper use.NIRS,combined with the ANN model or the 2D-IR method,can be effectively employed for the rapid identification of Paridis Rhizoma and its adulterants.

关 键 词：重楼 鉴别 滇重楼 七叶一枝花 混伪品 近红外光谱 二维红外光谱 

分 类 号：R286.2[医药卫生—中药学]