经典名方一贯煎红外指纹图谱研究  

Study on Infrared Fingerprint of the Classical Famous Prescription Yiguanjian

作　　者：贾豪 张维方 雷敬卫[1,3] 李莹莹 杨春静 谢彩侠[1,3] 龚海燕 丁心雨[1] 姚天意 JIA Hao;ZHANG Wei-fang;LEI Jing-wei;LI Ying-ying;YANG Chun-jing;XIE Cai-xia;GONG Hai-yan;DING Xin-yu;YAO Tian-yi(School of Pharmacy,Henan University of Traditional Chinese Medicine,Zhengzhou 450046,China;The Third Affiliated Hospital of Henan University of Traditional Chinese Medicine,Zhengzhou 450003,China;Henan Provincial Chinese Medicine Quality Control and Evaluation Engineering Technology Center,Zhengzhou 450046,China;Luohe Medical College,Luohe 462002,China)

机构地区：[1]河南中医药大学药学院,河南郑州450046 [2]河南中医药大学第三附属医院,河南郑州430003 [3]河南省中药质量控制与评价工程技术中心,河南郑州450046 [4]漯河医学高等专科学校,河南漯河462002

出　　处：《光谱学与光谱分析》2023年第10期3202-3210,共9页Spectroscopy and Spectral Analysis

基　　金：国家重点研发计划项目(2018YFC1707000);河南省中医药科学研究专项(20-21ZY1028)资助。

摘　　要：经典名方一贯煎由生地黄、北沙参、麦冬、当归、枸杞子、川楝子6味药组成,具有滋养肝肾、疏肝理气之效。红外光谱技术具有快速无损的优点,可完整的将不同批次一贯煎基准样品的信息表达。运用傅里叶变换红外光谱仪采集样品的红外光谱,对原始光谱进行预处理,得到相对峰高,对共有峰进行归属,采用聚类分析(HCA)、主成分分析(PCA)及正交偏最小二乘法-判别分析(OPLS-DA)对图谱数据进行评价。结果表明15批一贯煎基准样品中868、822和779 cm^(-1)波段为糖骨架伸缩振动吸收峰,多为枸杞所贡献,815 cm^(-1)波段处少数为麦冬所贡献;生地黄单煎液在1148 cm^(-1)波段处、沙参单煎液在1158、1082和1019 cm^(-1)波段处、当归单煎液在993 cm^(-1)波段处均有对糖苷类成分的贡献;川楝子单煎液1746 cm^(-1)波段处可溶性脂类糖苷成分吸收峰明显,一贯煎复方中此处吸收峰并不明显,可能为川楝子与其他五味药配伍煎煮过程中化学成分发生变化。HCA结果显示,当组间距离=10时,S1、S2、S15聚为一类,S9、S11、S12、S13、S14聚为一类,S3、S4、S5、S6、S7、S8、S10聚为一类,表明不同批次一贯煎汤剂内部质量存在一定差异。PCA分类结果与聚类分析结果基本一致,并计算不同批次的主成分综合得分,其中批次3一贯煎汤剂质量最佳,批次1质量最次,由载荷散点图分析得到1104、1142、1412、1260和868 cm^(-1)波段峰对主成分1的贡献率较大;777、2936、923、1721、818和637 cm^(-1)波段峰对主成分2的贡献较大。OPLS-DA结果与HCA和PCA结果一致,以VIP>1为标准,筛选出七个导致样品之间产生差异的波段,分别为777、637、923、2936、1260、1412和1630 cm^(-1),该结果与PCA载荷图中寻找的重要性权重变量基本一致。所建立的一贯煎红外指纹图谱方法简单、准确度高,可用于经典名方的快速鉴别分析,为经典名方一贯煎的质量控制与评价提供�The classic formula Yiguanjian consists of 6 herbs:Rehmannia glutinosa Libosch,Angelica sinensis(Oliv.)Diels,Glehnia littoralis Fr.Schmindt ex Miq,Lyciumbarbarum L,Ophiopogon japonicus(L.f)Ker-Gawl,Melia toosendan Sieb.et Zucc are effective in nourishing the liver and kidneys and de-stressing the liver and Qi.Infrared spectroscopy has the advantage of being fast and non-destructive.Infrared spectroscopy provides complete information from different batches of Yiguanjian benchmark samples.The infrared spectra of the samples were collected using a Fourier transform infrared spectrometer.The raw spectra were pre-processed to obtain relative peak heights and to attribute shared peaks.The infrared spectral data were evaluated using HCA,PCA and OPLS-DA.The results showed that the sugar skeleton stretching vibration absorption peaks in the 868,822 and 779 cm^(-1) bands of the 15 batches of Yiguanjian benchmark samples were mostly contributed by Lyciumbarbarum L and a few at the 815 cm^(-1) band were contributed by Ophiopogon japonicus(L.f)Ker-Gawl.The single decoction of Rehmannia glutinosa Libosch at 1148 cm^(-1) band,the single decoction of Glehnia littoralis Fr.Schmindt ex Miq at 1158,1082,1019 cm^(-1) band and the single decoction of Angelica sinensis(Oliv.)Diels at 993 cm^(-1) band all contributed to the glycosidic composition.The absorption peak of soluble lipid glycosides in the 1746 cm^(-1) band of the single decoction of Melia toosendan Sieb.et Zucc is obvious,but the absorption peak is not obvious in Yiguanjian benchmark samples.It may have changed chemically during decoction.The HCA results showed that S1,S2,S15 clustered into one group,S9,S11,S12,S13,S14 clustered into one group,S3,S4,S5,S6,S7,S8,S10 clustered into one group when the distance between groups=10.Indicating that there was some variation in the internal quality of different batches of consistent decoctions.It indicates some variation in the internal quality of the 15 batches of Yiguanjian benchmark samples.The PCA classification results were in g

关 键 词：经典名方 一贯煎 基准样品 指纹图谱 聚类分析 主成分分析 正交偏最小二乘法-判别分析 

分 类 号：R282.5[医药卫生—中药学]