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贯叶金丝桃质控方法提升及“辨色论质”研究
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          李喜硕 ,苏本正 ,曲珍妮 ,朱娟娟 ,戴衍朋 ,石典花 (1. 山东中医药大学药学院,济南 250355;
                 1 *
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          2.山东省中医药研究院,济南 250014;3.国家中医药管理局中药蜜制和制炭炮制技术与原理重点研究室,
          济南 250014)
          中图分类号  R932;R917      文献标志码  A      文章编号  1001-0408(2025)06-0661-07
          DOI  10.6039/j.issn.1001-0408.2025.06.04

          摘  要  目的  为贯叶金丝桃的质量控制提供参考。方法  采用高效液相色谱法建立20批贯叶金丝桃的指纹图谱并测定其主要
          成分绿原酸、芦丁、金丝桃苷、异槲皮苷、萹蓄苷、槲皮苷、槲皮素的含量;采用SPSS 26.0软件进行聚类分析。采用电子眼测定贯叶
          金丝桃粉末的明度值(L*)、红绿值(a*)和黄蓝值(b*),采用机器学习算法建立基于外观色度值的贯叶金丝桃上述7种成分含量的
          预测模型,并采用均方根误差(RMSE)评价预测模型的预测性能。结果  20批贯叶金丝桃指纹图谱共标定16个共有峰,指认出9
          个色谱峰,分别为绿原酸、芦丁、金丝桃苷、异槲皮苷、萹蓄苷、槲皮苷、槲皮素、贯叶金丝桃素和金丝桃素,20批样品与对照图谱的
          相似度为 0.889~0.987;绿原酸、芦丁、金丝桃苷、异槲皮苷、萹蓄苷、槲皮苷、槲皮素含量分别为 0.025%~0.166%、0.048%~
          0.339%、0.082%~0.419%、0.017%~0.209%、0.011%~0.134%、0.020%~0.135%、0.041%~0.235%;聚类分析结果显示,当欧
          氏距离为 1.4 时,18 批合格贯叶金丝桃可聚为 3 类。20 批贯叶金丝桃的 L*为 62.814~75.668,a*为 1.409~3.490,b*为 25.249~
          30.759;XGBoost、LightGBM、AdaBoost 3种预测模型的RMSE为0.008~0.070,拟合效果良好。除芦丁外,XGBoost模型预测其余
          6种成分的含量均具有较高的预测精度。结论  所建指纹图谱及含量测定方法准确、重复性好、结果可靠;结合机器学习算法构建
          的基于外观色度值的含量预测模型可用于贯叶金丝桃的质量控制。
          关键词  贯叶金丝桃;指纹图谱;聚类分析;含量测定;色度值;质量评价;机器学习;预测模型


          Improvement  of  quality  control  methods  and “quality  evaluation  via  color  discrimination”  of  Hypericum
          perforatum
          LI Xishuo ,SU Benzheng ,QU Zhenni ,ZHU Juanjuan ,DAI Yanpeng ,SHI Dianhua (1.  College  of
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          Pharmacy,  Shandong  University  of  Traditional  Chinese  Medicine,  Jinan  250355,  China;2.  Shandong Academy
          of  Traditional  Chinese  Medicine,  Jinan  250014,  China;3.  Key  Laboratory  for  Research  of  Technique  and
          Principle of Honey-processing and Carbonizing of SATCM, Jinan 250014, China)
          ABSTRACT   OBJECTIVE  To  provide  a  reference  for  the  quality  control  of  Hypericum  perforatum.  METHODS  High-
          performance  liquid  chromatography (HPLC)  was  used  to  establish  fingerprints  for  20  batches  of  H.  perforatum  and  determine  the
          contents  of  its  main  components:  chlorogenic  acid,  rutin,  hyperin,  isoquercitrin,  avicularin,  quercitrin  and  quercetin.  Cluster
          analysis  was  conducted  using  SPSS  26.0  software. The  chromaticity  values (luminance  value  L*,  red-green  value  a*,  and  yellow-
          blue  value  b*)  of  H.  perforatum  powder  were  measured  using  electronic  eye.  A  prediction  model  for  the  contents  of  seven
          components  in  H.  perforatum  based  on  its  appearance  chromaticity  values  was  established  using  machine  learning  algorithms.  The
          predictive performance of the models was evaluated using root-mean-square-error (RMSE). RESULTS A total of 16 common peaks
          were  calibrated  in  the  fingerprints  of  20  batches  of  H.  perforatum,  and  9  peaks  were  identified,  which  were  chlorogenic  acid,
                                                             rutin,  hyperin,  isoquercitrin,  avicularin,  quercitrin,  quercetin,
             Δ 基金项目 国家中医药管理局中药炮制技术传承基地建设项目
                                                             hypericin  and  hyperforin;  the  similarities  of  the  20  batches  of
         (No.国中医药办规财函〔2022〕185号);国家中医药管理局科技司共建
                                                             samples  and  reference  fingerprint  ranged  from  0.889-0.987.  The
          科技项目(No.GZY-KJS-SD-2023-53);国家中医药管理局高水平中医
          药重点学科建设项目(No.ZYYZDXK-2023121);中央引导地方科技发            contents  of  chlorogenic  acid,  rutin,  hyperin,  isoquercitrin,
          展专项资金项目(No.YDZX2021096)                            avicularin, quercitrin and quercetin were 0.025%-0.166%, 0.048%-
             * 第一作者 硕 士 研 究 生 。 研 究 方 向 :中 药 炮 制 。 E-mail:
                                                             0.339%,  0.082%-0.419%,  0.017%-0.209%,  0.011%-0.134%,
          1010946092@qq.com
                                                             0.020%-0.135%,  0.041%-0.235%,  respectively.  Cluster  analysis
             # 通信作者 研 究 员 ,博 士 。 研 究 方 向 :中 药 炮 制 。 E-mail:
          shidianhua81@163.com                               results showed that 18 batches of qualified H. perforatum were


          中国药房  2025年第36卷第6期                                                 China Pharmacy  2025 Vol. 36  No. 6    · 661 ·
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