傅里叶变换红外光谱技术对北柴胡中有效成分定量模型建立及含量测定  

Quantitative Modeling and Content Determination of Active Ingredients in Beichaihu(Bupleurum chinense DC.)by Fourier Transform Infrared Spectroscopy

作　　者：顾旭鹏 张迪 张韶珂 练忠希 程爱国 何晓栋 杨林林 董诚明[1,2,4] GU Xupeng;ZHANG Di;ZHANG Shaoke;LIAN Zhongxi;CHENG Aiguo;HE Xiaodong;YANG Linlin;DONG Chengming(College of Pharmacy,Henan University of Chinese Medicine,Zhengzhou 450046,Henan,China;Henan Provincial Ecological Planting Engineering Technology Research Center of Authentic Medicinal Materials,Zhengzhou 450046,Henan,China;Taloph Pharmaceutical Co.,Ltd,Luoyang 471400,Henan,China;Henan Collaborative Innovation Center for Respiratory Disease Diagnosis and Treatment&Chinese Medicine Development,Zhengzhou 450046,Henan,China)

机构地区：[1]河南中医药大学药学院,河南郑州450046 [2]河南省道地药材生态种植工程技术研究中心,河南郑州450046 [3]河南顺势药业有限公司,河南洛阳471400 [4]呼吸疾病诊疗与新药研发河南省协同创新中心,河南郑州450046

出　　处：《中华中医药学刊》2025年第1期142-146,I0024,I0025,共7页Chinese Archives of Traditional Chinese Medicine

基　　金：国家自然科学基金项目(82104329);河南省重点研发专项(231111312700)。

摘　　要：目的基于傅里叶变换红外光谱技术,建立北柴胡有效成分快检定量模型,实现对未知北柴胡有效成分的含量预测,为实现中药材有效成分的快速、无损检测提供方法依据。方法使用傅里叶变换红外光谱技术采集不同采收期的54份北柴胡样品红外光谱图,使用高效液相色谱技术测定54份北柴胡中柴胡皂苷A(Ss-a)、柴胡皂苷D(Ss-d)、柴胡皂苷C(Ss-c)、柴胡皂苷F(Ss-f)的含量,并以Ss-a、Ss-d、Ss-c、Ss-f计柴胡总皂苷(Ss-s)的含量,运用TQ分析软件,通过化学计量学方法偏最小二乘法(PLS)、逐步多元线性回归(SMLR)、多元散射校正(MSC)、标准正态变换(SNT)、一阶导数(1stDer)、二阶导数(2ndDer)及SG卷曲平滑(SG)和诺里斯导数滤波(ND)进行光谱处理并建立模型。结果SMLR+SNT+2ndDer+SG对Ss-c、Ss-f含量测定效果最好,相关系数分别为0.8365、0.8325,平均绝对偏差分别为-0.01%、-0.01%;SMLR+MSC+2ndDer+SG对Ss-a、Ss-d、Ss-s含量测定效果最好,相关系数分别为0.8206、0.8356、0.8405,平均绝对偏差分别为-0.08%、-0.19%、-0.20%。结论以傅里叶变换红外光谱技术与高效液相色谱技术相结合,可以实现北柴胡有效成分快速含量测定,该研究为中药材含量检测提供了新方法,在一定程度上能够推动中药材质量稳定、可控。Objective Based on Fourier transform infrared(FTIR)spectroscopy,to establish a quantitative model for the rapid detection of the active ingredients of Beichaihu(Bupleurum chinense DC.),achieve the prediction of the contents of unknown active ingredients of Beichaihu(Bupleurum chinense DC.)and provide a methodological basis for the rapid and nondestructive detection of the active ingredients of Chinese herbal medicines.Methods FTIR spectroscopy was used to collect the infrared spectra of 54 samples of Beichaihu(Bupleurum chinense DC.)from different harvesting periods,and high performance liquid chromatography(HPLC)was used to determine the contents of saikosaponins A(Ss-a),saikosaponins D(Ss-d),saikosaponins C(Ss-c)and saikosaponins F(Ss-f)in 54 samples of Beichaihu(Bupleurum chinense DC.),and the contents of these saponins were counted as Ss-a,Ss-d,Ss-c and Ss-f.The content of total saikosaponins(Ss-s)of Beichaihu(Bupleurum chinense DC.)was analyzed using TQ analysis software,and the spectra were processed by chemometric methods partial least squares(PLS),stepwise multiple linear regression(SMLR),multiple scattering correction(MSC),standard normal transformations(SNT),first-order derivatives(1stDer),second-order derivatives(2ndDer)and SG convolutional smoothing and Norris derivative filtering(ND)and modeling.Results SMLR+SNT+2ndDer+SG was the best for the content determination of Ss-c and Ss-f,with the correlation coefficients of 0.8365 and 0.8325,and the mean absolute deviations of-0.01%and-0.01%,respectively and SMLR+MSC+2ndDer+SG was the best for the content determination of Ss-a,Ss-d and Ss-s,with the correlation coefficients of 0.8206,0.8356 and 0.8405,respectively,and the average absolute deviations were-0.08%,-0.19%and-0.20%,respectively.Conclusion The combination of FTIR spectroscopy and HPLC can achieve the rapid determination of the active ingredients of Beichaihu(Bupleurum chinense DC.).This study provides a new method for the content detection of Chinese herbal medicines,which can promote the quality

关 键 词：北柴胡 定量模型 傅里叶变换红外光谱技术 含量测定 化学计量学方法 

分 类 号：R284.1[医药卫生—中药学]