基于HPLC指纹图谱和化学模式识别的广东神曲质量评价

黄丽平<sup>1</sup>; 黎颖娜<sup>2</sup>; 吴静怡<sup>1</sup>; 王江婷<sup>1</sup>; 周中流<sup>1*</sup>

引用本文:	黄丽平, 黎颖娜, 吴静怡, 王江婷, 周中流.基于HPLC指纹图谱和化学模式识别的广东神曲质量评价[J].广西植物,2025,45(10):1821-1831.[点击复制]
	HUANG Liping, LI Yingna, WU Jingyi, WANG Jiangting, ZHOU Zhongliu.Quality evaluation of Guangdong Shenqu based on HPLC fingerprint and chemical pattern recognition[J].Guihaia,2025,45(10):1821-1831.[点击复制]

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基于HPLC指纹图谱和化学模式识别的广东神曲质量评价
黄丽平¹, 黎颖娜², 吴静怡¹, 王江婷¹, 周中流^1*
1. 岭南师范学院化学化工学院, 广东湛江 524048;2. 广东瑞洋制药有限公司, 广东湛江 524048

摘要:

为建立广东神曲的HPLC指纹图谱与含量测定并结合化学计量学分析广东神曲的质量评价方法,该文采用HPLC法建立18批广东神曲的指纹图谱,通过对照品比对,指认共有峰,并测定5种有效成分(芦丁、阿魏酸、鞣花酸、黄芩苷、橙皮苷)的含量,使用《中药色谱指纹图谱相似度评价系统(2012版)》和Simca等软件进行相似度评价、聚类分析(CA)、主成分分析(PCA)及正交偏最小二乘判别分析(OPLS-DA),对不同批次广东神曲的差异进行分析。结果表明:(1)建立的18批广东神曲指纹图谱共匹配出8个共有峰,通过与对照品比对,指认出芦丁、鞣花酸、橙皮苷、阿魏酸、黄芩苷5个共有峰,指纹图谱相似度为0.997～1.000。(2)18批广东神曲中芦丁、鞣花酸、橙皮苷、阿魏酸、黄芩苷的质量分数分别为3.539 2～6.773 7 mg·g^-1、0.220 5～0.907 0 mg·g^-1、1.259 6～3.935 3 mg·g^-1、0.022 2～0.093 8 mg·g^-1、0.316 9～0.788 0 mg·g^-1。(3)CA分析将样品分为3类; PCA提取出3个主成分; OPLS-DA分析确定黄芩苷、鞣花酸2个差异标志物。该文建立的广东神曲HPLC指纹图谱与含量测定并结合化学计量学分析的方法稳定可靠,可用于广东神曲药材的质量评价。

关键词: 广东神曲, 高效液相色谱, 指纹图谱, 黄芩苷, 鞣花酸, 化学计量学, 质量评价

DOI：10.11931/guihaia.gxzw202410019

分类号:Q946

文章编号:1000-3142(2025)10-1821-11

基金项目:国家自然科学基金(31900297,81904104); 广东省基础与应用基础研究基金自然科学基金(2025A1515012239); 广东省重点学科科研项目(2019-GDXK-0025); 中国博士后科学基金面上资助项目(2021M690759); 广东省中医药管理局科研项目(20211203); 岭南师范学院科学研究项目(ZL1801); 广东省普通高校重点科研平台和项目(2021KCXTD054)。

Quality evaluation of Guangdong Shenqu based on HPLC fingerprint and chemical pattern recognition

HUANG Liping¹, LI Yingna², WU Jingyi¹, WANG Jiangting¹, ZHOU Zhongliu^1*

1. School of Chemistry and Chemical Engineering, Lingnan Normal University, Zhanjiang 524048, Guangdong, China;2. Guangdong Ruiyang Pharmaceutical Co., Ltd., Zhanjiang 524048, Guangdong, China

Abstract:

To establish the quality evaluation method for Guangdong Shenqu achieved through high-performance liquid chromatography(HPLC)fingerprint and content determination, combining with chemometric analysis, HPLC fingerprint was utilized to establish a fingerprint of 18 batches of Guangdong Shenqu, with common peaks being identified through comparison with reference compounds, and determine the content of five effective components(rutin, ferulic acid, ellagic acid, baicalin, hesperidin). The Similarity Evaluation System for Chromatographic Fingerprint of Traditional Chinese Medicine(2012 Version) and Simca were employed to assess the similarity, cluster analysis(CA), principal component analysis(PCA)and orthogonal partial least squares discriminant analysis(OPLS-DA)were used to analyze the discrepancy between different batches of Guangdong Shenqu. The results were as follows:(1)A total of 8 common peaks were matched in 18 batches of Guangdong Shenqu, among which five characteristic peaks were successfully authenticated as rutin, ellagic acid, hesperidin, ferulic acid, and baicalin through comparison with reference compounds. The similarity of the fingerprint was 0.997 - 1.000.(2)The mass fractions of rutin, ellagic acid, hesperidin, ferulic acid, and baicalin in the 18 batches of Guangdong Shenqu were 3.539 2 - 6.773 7 mg·g^-1, 0.220 5 - 0.907 0 mg·g^-1, 1.259 6 - 3.935 3 mg·g^-1, 0.022 2 - 0.093 8 mg·g^-1, 0.316 9 - 0.788 0 mg·g^-1, respectively.(3)CA successfully categorized the samples into three types; PCA extracted three principal components; OPLS-DA identified two differential markers for baicalin and ellagic acid. The established method of HPLC fingerprint and content determination of Guangdong Shenqu combined with chemometric analysis in this paper demonstrates excellent stability and reliability, which can be used for the quality evaluation of Guangdong Shenqu herbs.

Key words: Guangdong Shenqu, high-performance liquid chromatography(HPLC), fingerprint, baicalin, ellagic acid, chemometrics, quality evaluation