Mass Spectrometry-Based Metabolomics Identification of Plant Components

A special issue of Metabolites (ISSN 2218-1989). This special issue belongs to the section "Plant Metabolism".

Deadline for manuscript submissions: closed (30 June 2024) | Viewed by 2585

Special Issue Editor


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Guest Editor
UGA-Langebio, Center for Research and Advanced Studies (CINVESTAV) Irapuato, Km. 9.6 Libramiento Norte Carr. Irapuato-León, Irapuato 36824, Mexico
Interests: metabolomics; plant biotechnology; natural products; plant biochemistry

Special Issue Information

Dear Colleagues,

Metabolomics is a central tool for studying plant physiology, evaluating the quality of food crops, and exploring bioactive natural products.

In the analysis of complex plant materials, mass spectrometry (MS) is used in combination with upstream sample extraction and separation to quantify and identify metabolites. Since all natural compounds are built from the same chemical building blocks with intrinsic mass and predictable physical properties, MS is a universal analytical method.

However,  the vast chemical diversity of plant metabolites and their dynamic range in mixtures make it challenging to annotate signals.

In addition,  novel analytical tools, such as ambient ionization, MS imaging, and real-time monitoring, require custom data processing.

This Special Issue presents strategies and examples for the MS-based identification of plant components, such as software, databases, instrumentation,  and analytical and informatic workflows.

Dr. Robert Winkler
Guest Editor

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Keywords

  • mass spectrometry
  • plant biochemistry
  • natural products
  • nutritional value
  • bioactive compounds
  • chemoinformatics

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Published Papers (2 papers)

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Research

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18 pages, 3483 KiB  
Article
Epiphytic Patterns Impacting Metabolite Diversity of Drynaria roosii Rhizomes Based on Widely Targeted Metabolomics
by Nana Chang, Xianping Yang, Xiaoqing Wang, Chao Chen, Chu Wang, Yang Xu, Hengyu Huang and Ye Wang
Metabolites 2024, 14(8), 409; https://doi.org/10.3390/metabo14080409 - 26 Jul 2024
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Abstract
Drynaria roosii Nakaike, a fern widely distributed in China and some countries in Southeast Asia, is a commonly used herbal medicine in tonic diets and Chinese patented medicine. The metabolites of its dried rhizomes are easily affected by the epiphytic pattern, whether on [...] Read more.
Drynaria roosii Nakaike, a fern widely distributed in China and some countries in Southeast Asia, is a commonly used herbal medicine in tonic diets and Chinese patented medicine. The metabolites of its dried rhizomes are easily affected by the epiphytic pattern, whether on rock tunnels (RTs) or tree trunks (TTs). The current research focused on rhizomes from these two patterns, RTs and TTs (further divided into subclasses TA, TB, TC, and TD, based on trunk differences) and conducted a widely targeted metabolomics analysis. A total of 1435 components were identified across 13 categories, with flavonoids, amino acids, and their derivative, lipids, identified as the main components. They accounted for 19.96%, 12.07%, and 12.14% of all metabolites, respectively. The top five flavonoids in TB were eriodicty-ol-7-O-(6″-acetyl)glucoside, quercetin-3-O-sophoroside (baimaside), dihydrochar-cone-4′-O-glucoside, morin, and hesperetin-7-O-glucoside, with relative contents 76.10, 24.20, 17.02, 15.84, and 14.64 times higher than in RTs. Principal component analysis revealed that samples with different epiphytic patterns clustered into five groups. The RT patterns revealed unique metabolites that were not detected in the other four epiphytic species (TA, TB, TC, and TD), including 16 authenticated metabolites: 1 alkaloid, 1 amino acid derivative, 7 flavonoids, 2 lignans, 1 lipid, 1 alcohol, 1 aldehyde, and 2 phenolic acids. These differences in epiphytic patterns considerably affected the accumulation of both primary and secondary metabolites. The comparison of diversity between RTs and TTs can guide the selection of a cultivation substance and the grading of collective rhizomes in the wild. This comprehensive analysis of D. roosii rhizome metabolites also offers fundamental insights for identifying active components and understanding the mechanisms underlying their potential pharmacological activities. Full article
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Review

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22 pages, 15357 KiB  
Review
Identification of Plant Compounds with Mass Spectrometry Imaging (MSI)
by Nancy Shyrley García-Rojas, Carlos Daniel Sierra-Álvarez, Hilda E. Ramos-Aboites, Abigail Moreno-Pedraza and Robert Winkler
Metabolites 2024, 14(8), 419; https://doi.org/10.3390/metabo14080419 - 30 Jul 2024
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Abstract
The presence and localization of plant metabolites are indicative of physiological processes, e.g., under biotic and abiotic stress conditions. Further, the chemical composition of plant parts is related to their quality as food or for medicinal applications. Mass spectrometry imaging (MSI) has become [...] Read more.
The presence and localization of plant metabolites are indicative of physiological processes, e.g., under biotic and abiotic stress conditions. Further, the chemical composition of plant parts is related to their quality as food or for medicinal applications. Mass spectrometry imaging (MSI) has become a popular analytical technique for exploring and visualizing the spatial distribution of plant molecules within a tissue. This review provides a summary of mass spectrometry methods used for mapping and identifying metabolites in plant tissues. We present the benefits and the disadvantages of both vacuum and ambient ionization methods, considering direct and indirect approaches. Finally, we discuss the current limitations in annotating and identifying molecules and perspectives for future investigations. Full article
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