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基于超高效液相色谱-四极杆-轨道阱高分辨质谱联用(UHPLC-Q-Orbitrap HRMS)结合解吸电喷雾电离质谱成像(DESI-MSI)技术对姜黄根和根茎中差异代谢物的空间分布及比较分析

Spatial Distribution and Comparative Analysis of Differential Metabolites in Curcuma longa L. Roots and Rhizomes Using UHPLC-Q-Orbitrap HRMS Combined With DESI-MSI.

作者信息

Wang Jin, Zhu Ying, Wu Chuyue, Huang Qinwan

机构信息

College of Ethnic Medicine, Chengdu University of Traditional Chinese Medicine, Chengdu, China.

College of Pharmacy, Chengdu University of Traditional Chinese Medicine, Chengdu, China.

出版信息

Phytochem Anal. 2025 Jun;36(4):1079-1093. doi: 10.1002/pca.3493. Epub 2024 Dec 26.

DOI:10.1002/pca.3493
PMID:39723548
Abstract

INTRODUCTION

The roots and rhizomes of Curcuma longa L. serve as distinct traditional Chinese medicines with varying therapeutic effects, likely attributed to differences in the accumulation and distribution of metabolites in these parts.

OBJECTIVE

The study aims to investigate the differences and spatial distribution patterns of metabolites in C. longa L. roots and rhizomes.

METHODS

Metabolite analysis of roots and rhizomes was conducted using ultra-high-performance liquid chromatography-quadruple orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) combined with desorption electrospray ionization mass spectrometry imaging (DESI-MSI). Using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) to screen for differential metabolites. The relative contents of differential metabolites were visualized using heat maps. Additionally, the spatial distribution of differential metabolites was analyzed based on DESI-MSI.

RESULTS

A total of 49 main chemical components were identified in roots and rhizomes using UHPLC-Q-Orbitrap HRMS. Through nontargeted metabolomics analysis combining UHPLC-Q-Orbitrap HRMS with PCA and OPLS-DA, 24 differential markers were identified; Additionally, using DESI-MSI alongside PCA and OPLS-DA, 18 differential markers were selected. Based on the DESI-MSI results, curcuminoids and sesquiterpenoids, including bisdemethoxycurcumin, demethoxycurcumin, furanodienone, furanogermenone, furanodiene, β-elemene, and curzerene, were more abundant in the rhizomes compared to the roots. And these differential compounds exhibited spatial distribution differences in the epidermis, phloem, and xylem between the roots and rhizomes.

CONCLUSION

The metabolomics analysis using UHPLC-Q-Orbitrap HRMS combined with DESI-MSI suggest differences in the accumulation and spatial distribution of metabolites in C. longa L. roots and rhizomes, possibly related to the biosynthesis of secondary metabolites.

摘要

引言

姜黄的根和根茎是不同的传统中药,具有不同的治疗效果,这可能归因于这些部位代谢物积累和分布的差异。

目的

本研究旨在探究姜黄根和根茎中代谢物的差异及空间分布模式。

方法

采用超高效液相色谱-四极杆轨道阱高分辨率质谱(UHPLC-Q-Orbitrap HRMS)结合解吸电喷雾电离质谱成像(DESI-MSI)对根和根茎进行代谢物分析。使用主成分分析(PCA)和正交偏最小二乘法判别分析(OPLS-DA)筛选差异代谢物。利用热图可视化差异代谢物的相对含量。此外,基于DESI-MSI分析差异代谢物的空间分布。

结果

通过UHPLC-Q-Orbitrap HRMS在根和根茎中总共鉴定出49种主要化学成分。通过将UHPLC-Q-Orbitrap HRMS与PCA和OPLS-DA相结合的非靶向代谢组学分析,鉴定出24个差异标志物;此外,将DESI-MSI与PCA和OPLS-DA一起使用,筛选出18个差异标志物。基于DESI-MSI结果,与根相比,根茎中姜黄素类化合物和倍半萜类化合物,包括双去甲氧基姜黄素、去甲氧基姜黄素、呋喃二烯酮、呋喃吉马酮、呋喃二烯、β-榄香烯和莪术烯,含量更高。并且这些差异化合物在根和根茎的表皮、韧皮部和木质部表现出空间分布差异。

结论

使用UHPLC-Q-Orbitrap HRMS结合DESI-MSI的代谢组学分析表明,姜黄根和根茎中代谢物的积累和空间分布存在差异,这可能与次生代谢物的生物合成有关。

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