基于偏最小二乘算法探究山楂和焦山楂消食健脾功效成分  

Application of partial least squares algorithm to explore bioactive components of crude and stir-baked hawthorn for invigorating spleen and promoting digestion

作　　者：孙飞 吴相亲 戚悦 陈星宇 曹玉华 王建刚 王淑美 梁生旺 SUN Fei;WU Xiang-qin;QI Yue;CHEN Xing-yu;CAO Yu-hua;WANG Jian-gang;WANG Shu-mei;LIANG Sheng-wang(School of Traditional Chinese Medicine,Guangdong Pharmaceutical University,Guangzhou 510006,China;Key Laboratory of Digital Quality Evaluation of Chinese Materia Medica of State Administration of Traditional Chinese Medicine,Guangzhou 510006,China;Engineering Technology Research Center for Chinese Materia Medica Quality of Guangdong Province,Guangzhou 510006,China;Shandong Bokang Traditional Chinese Medicine Co.,Ltd.,Weifang 262500,China)

机构地区：[1]广东药科大学中药学院,广东广州510006 [2]国家中医药管理局中药数字化质量评价技术重点研究室,广东广州510006 [3]广东省中药质量工程技术研究中心,广东广州510006 [4]山东博康中药饮片有限公司,山东潍坊262500

出　　处：《中国中药杂志》2023年第4期958-965,共8页China Journal of Chinese Materia Medica

基　　金：国家自然科学基金项目(81773905)。

摘　　要：该文采用偏最小二乘(partial least squares,PLS)算法分别建立山楂和焦山楂化学成分与消食健脾功效的“谱效”关系模型,辨识山楂、焦山楂消食健脾功效成分,阐明山楂炮制机制。分别制备山楂、焦山楂水提物不同极性部位及其组合,采用超高效液相色谱-质谱联用技术测定山楂、焦山楂水提物不同极性部位及其组合中24种化学成分的含量;复制大鼠胃肠动力障碍模型,测定胃排空率和小肠推进率比较山楂、焦山楂水提物不同极性部位及其组合对模型大鼠的影响;采用PLS算法分别建立山楂、焦山楂“谱效”关系模型。结果表明,山楂、焦山楂水提物不同极性部位及其组合中24种化学成分的含量差异明显;山楂、焦山楂水提物不同极性部位及其组合对模型大鼠的改善作用有明显差别;通过PLS模型参数辨识山楂消食健脾功效成分为牡荆素-4″-O-葡萄糖苷、牡荆素-2″-O-鼠李糖苷、新绿原酸、芦丁、没食子酸、香草酸、枸橼酸、苹果酸、奎尼酸和延胡索酸,焦山楂消食健脾功效成分为新绿原酸、隐绿原酸、芦丁、没食子酸、香草酸、枸橼酸、奎尼酸和延胡索酸。该文为阐明山楂炮制机制提供数据支撑和科学依据。This study was aimed at identifying the bioactive components of the crude and stir-baked hawthorn for invigorating spleen and promoting digestion, respectively, to clarify the processing mechanism of hawthorn by applying the partial least squares(PLS) algorithm to build the spectrum-effect relationship model. Firstly, different polar fractions of crude and stir-baked hawthorn aqueous extracts and combinations of different fractions were prepared, respectively. Then, the contents of 24 chemical components were determined by ultra-high performance liquid chromatography-mass spectrometry. The effects of different polar fractions of crude hawthorn and stir-baked hawthorn aqueous extracts and combinations of different fractions were evaluated by measuring the gastric emptying rate and small intestinal propulsion rate. Finally, the PLS algorithm was used to establish the spectrum-effect relationship model. The results showed that there were significant differences in the contents of 24 chemical components for different polar fractions of crude and stir-baked hawthorn aqueous extracts and combinations of different fractions, and the gastric emptying rate and small intestinal propulsion rate of model rats were improved by administration of different polar fractions of crude and stir-baked hawthorn aqueous extracts and combinations of different fractions. The bioactive components of crude hawthorn identified by PLS models were vitexin-4″-O-glucoside, vitexin-2″-O-rhamnoside, neochlorogenic acid, rutin, gallic acid, vanillic acid, citric acid, malic acid, quinic acid and fumaric acid, while neochlorogenic acid, cryptochlorogenic acid, rutin, gallic acid, vanillic acid, citric acid, quinic acid and fumaric acid were the bioactive components of stir-baked hawthorn. This study provided data support and scientific basis for identifying the bioactive components of crude and stir-baked hawthorn, and clarifying the processing mechanism of hawthorn.

关 键 词：山楂 焦山楂 消食健脾 功效成分 偏最小二乘 谱效关系 炮制机制 

分 类 号：R286.0[医药卫生—中药学]