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基于化学计量学方法的超高效液相色谱-四极杆飞行时间质谱联用技术分析不同品种和产地药用柑橘中的非挥发性化合物

UPLC-Q-TOF-MS With Chemometrics Approach Analysis of Nonvolatile Compounds for Medicinal Citrus reticulata With Cultivar and Areas Variations.

作者信息

Yang Fang-Qing, Tan Xiang-Mei, Chu Shan-Shan, Yin Min-Zhen, Zhang Zhen-Yu, Peng Hua-Sheng

机构信息

School of Pharmacy, Anhui University of Chinese Medicine, Hefei, China.

State Key Laboratory for Quality Ensurance and Sustainable Use of Dao-di Herbs, National Resource Center for Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing, China.

出版信息

Phytochem Anal. 2025 Mar;36(2):467-484. doi: 10.1002/pca.3496. Epub 2024 Dec 28.

DOI:10.1002/pca.3496
PMID:39731403
Abstract

INTRODUCTION

Citri Reticulatae Pericarpium (CRP), also known as Chenpi in Chinese, is the dry mature peel of Citrus reticulata Blanco or its cultivated varieties. CRP as the health-care food and dietary supplement has been widely used in various diseases. The quality of CRP can be affected by various factors, which are closely related to the metabolite composition of CRP.

OBJECTIVES

The objective of this study is to conduct a comprehensive comparative analysis on the chemical profiling of 51 C. reticulata samples of eight medicinal varieties, grown in different areas, and provide a methodological reference for the study of pharmacodynamic material bases and quality control of C. reticulata.

METHODOLOGY

Initially, a comprehensive characterization was performed using quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS), and a heatmap visualization was employed for clarifying the distribution of the annotated active ingredients. Furthermore, obtained chemical profiles data were employed in multivariate statistical methods, comprising principal component analysis (PCA), and orthogonal partial least-squares-discrimination analysis (OPLS-DA).

RESULTS

A total of 42 chemical components were annotated in positive ion mode. The relative contents were evident differences in the active ingredients of medicinal varieties of C. reticulata; mostly, polymethoxy flavones (PMFs) in C. reticulata "Dahongpao" were more abundant; among them, nobiletin and tangeretin are the main active ingredients in CRP. In addition, the relative contents of chemical constituents of C. reticulata "Dahongpao" and C. reticulata "Unshiu" from different areas were less variable. Compared with production origins, the varieties of C. reticulata had a greater impact on quality.

CONCLUSION

This work obtains a better understanding of the chemical profiles of medicinal varieties of C. reticulata, facilitated the reasonable applicability and quality control of medicinal varieties of C. reticulata.

摘要

引言

陈皮是芸香科植物橘及其栽培变种的干燥成熟果皮,在中医中也被称为“陈 皮”。陈皮作为保健食品和膳食补充剂,已广泛应用于各种疾病的治疗。陈皮的质量会受到多种因素的影响,这些因素与陈皮的代谢物组成密切相关。

目的

本研究旨在对8个药用品种、生长于不同地区的51份橘属植物样本进行化学图谱的全面比较分析,为橘属植物药效物质基础研究和质量控制提供方法学参考。

方法

首先,采用超高效液相色谱 - 四极杆飞行时间质谱联用仪(UPLC-Q-TOF-MS)进行全面表征,并利用热图可视化来阐明注释活性成分的分布。此外,将获得的化学图谱数据应用于多元统计方法,包括主成分分析(PCA)和正交偏最小二乘法判别分析(OPLS-DA)。

结果

在正离子模式下共注释出42种化学成分。橘属药用品种的活性成分相对含量存在明显差异;其中,“大红袍”橘中的多甲氧基黄酮(PMFs)含量较高;其中,川陈皮素和橘皮素是陈皮的主要活性成分。此外,不同产地的“大红袍”橘和“温州蜜柑”橘化学成分的相对含量变化较小。与产地相比,橘属品种对质量的影响更大。

结论

本研究更好地了解了橘属药用品种的化学图谱,有助于陈皮药用品种的合理应用和质量控制。

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