LC-orbitrap HRMS结合化学计量学对不同来源姜黄根茎的非靶向代谢组学分析

IF 2 4区生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY

Biochemical Systematics and Ecology Pub Date : 2025-09-20 DOI:10.1016/j.bse.2025.105140

Ayu Septi Anggraeni , Anjar Windarsih , Hendy Dwi Warmiko , Abdul Rohman , Suratno , Anita Agustina Styawan , Ani Widarti

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引用次数: 0

摘要

姜黄属姜科植物，因其对人体健康的有益作用而广为人知。姜黄（Curcuma longa L.）、姜黄（Curcuma xanthorrhiza）和姜黄（Curcuma manga）三种姜黄因其生物和药理活性而被广泛利用。不同的来源确实影响了姜黄的代谢物组成，从而影响了姜黄的生物学效应。本研究旨在应用非靶向代谢组学方法，利用液相色谱-高分辨率质谱（LC-HRMS）结合主成分分析（PCA）和偏最小二乘判别分析（PLS-DA）的化学计量学方法鉴定全球代谢组学特征，并对不同来源的龙葵、黄腐根和日本龙葵进行区分。通过PCA和PLS-DA评分图清晰地显示了代谢物组成的物种和来源差异。关键的鉴别代谢物，如姜黄素和(+)-诺卡酮，使用可变重要投影（VIP）值进行鉴定，确认了它们在物种和起源区分中的作用。这些结果表明，环境因素显著影响姜黄的代谢谱。总之，本研究强调了基于lc - hrms的非靶向代谢组学与化学计量学分析相结合作为姜黄鉴别、分类和质量控制的可靠工具的潜力，支持其在制药和营养保健应用中的安全和标准化使用。

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Non-targeted metabolomics analysis of Curcuma rhizomes species from different origins using LC-orbitrap HRMS combined with chemometrics

Curcuma species belonging to the Zingiberaceae family has been widely known for its beneficial effects on human health. Three species of Curcuma, Curcuma longa L., Curcuma xanthorrhiza, and Curcuma manga, have been utilized because of their biological and pharmacological activities. Different origins truly affected the metabolite compositions of Curcuma species, thus affecting the biological effects. This research aimed to apply a non-targeted metabolomics approach utilizing liquid chromatography-high resolution mass spectrometry (LC-HRMS) incorporated with chemometrics of principal component analysis (PCA) and partial least square-discriminant analysis (PLS-DA) for identification of global metabolomics profiles and discrimination of C. longa L., C. xanthorrhiza, and C. manga from different origins. Species and origin-based variations in metabolite composition were clearly visualized through PCA and PLS-DA score plots. Key discriminating metabolites, such as curcumin and (+)-nootkatone, were identified using variable importance in projection (VIP) values, confirming their role in distinguishing among species and origins. These findings suggest that environmental factors significantly influence the metabolic profiles of Curcuma species. In conclusion, this study highlights the potential of LC-HRMS-based non-targeted metabolomics combined with chemometric analysis as a reliable tool for the authentication, classification, and quality control of Curcuma species, supporting their safe and standardized use in pharmaceutical and nutraceutical applications.

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来源期刊

Biochemical Systematics and Ecology 生物-进化生物学

CiteScore

3.00

自引率

12.50%

发文量

147

审稿时长

43 days

期刊介绍： Biochemical Systematics and Ecology is devoted to the publication of original papers and reviews, both submitted and invited, in two subject areas: I) the application of biochemistry to problems relating to systematic biology of organisms (biochemical systematics); II) the role of biochemistry in interactions between organisms or between an organism and its environment (biochemical ecology). In the Biochemical Systematics subject area, comparative studies of the distribution of (secondary) metabolites within a wider taxon (e.g. genus or family) are welcome. Comparative studies, encompassing multiple accessions of each of the taxa within their distribution are particularly encouraged. Welcome are also studies combining classical chemosystematic studies (such as comparative HPLC-MS or GC-MS investigations) with (macro-) molecular phylogenetic studies. Studies that involve the comparative use of compounds to help differentiate among species such as adulterants or substitutes that illustrate the applied use of chemosystematics are welcome. In contrast, studies solely employing macromolecular phylogenetic techniques (gene sequences, RAPD studies etc.) will be considered out of scope. Discouraged are manuscripts that report known or new compounds from a single source taxon without addressing a systematic hypothesis. Also considered out of scope are studies using outdated and hard to reproduce macromolecular techniques such as RAPDs in combination with standard chemosystematic techniques such as GC-FID and GC-MS.