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Metabolites
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Advances in Metabolic Studies in Plant Extraction
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Advances in Metabolic Studies in Plant Extraction

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

Deadline for manuscript submissions: closed (15 July 2022) | Viewed by 12766

Special Issue Editor

Prof. Dr. Igor А. Rodin

E-Mail Website
Guest Editor
Department of Chemistry, Lomonosov Moscow State University, Moscow, Russia
Interests: mass spectrometry; chromatography; LC-MS; method development; natural product chemistry; tandem mass spectrometry; chemical analysis; bioanalytical mass spectrometry; bioanalytical chemistry; ESI; analytical method development; LC-MS/MS; environmental analytical chemistry; ESI-MS

Special Issue Information

Dear colleagues,

Today, plant extracts are a huge source of new physiologically active substances. Plants are convenient model objects for studying metabolic processes.

The development of modern analytical methods opens up endless possibilities for a detailed understanding of the processes occurring in plants. Metabolomics and metabolomic analysis of plant extracts requires increasing attention as a high impact research area.

This special issue of Metabolites "Advances in Metabolic Studies in Plant Extraction," will be dedicated not only to in-depth applications of metabolomics techniques to the plant extracts investigation, but also application of wide range analytical techniques based on Chromatography, Mass Spectrometry and Spectroscopy (including NMR and FT-IR, not exclusively), for metabolites pathway and metabolites roles research both from a fundamental as well as an applied point of view. The topics that will be covered by this special issue include (not exclusively): the metabolomic analysis, data analysis for metabolomic investigation for plant materials, the mathematical modeling of plant metabolism, metabolite imaging, and applications in quality control, process engineering, and regulatory science and all areas of herbalomics and structure elucidation for plant isolated metabolites. Important area of interest is development of sample pretreatment techniques for plant metabolites analysis. Environmental pollutant metabolites in plants and their accumulation are also in area of interest. Manuscripts dealing with other challenging issues are also highly desired.

Prof. Dr. Igor А. Rodin
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Metabolites is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • Metabolomics
  • Plant material
  • Target analysis
  • Untarget Analysis
  • Profiling
  • Hyphenated techniques
  • Metabolomic pathways
  • Quality control
  • Imaging
  • Herbalomics

Published Papers (6 papers)

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Research

16 pages, 20270 KiB  
Article
Analysis of Primary Liquid Chromatography Mass Spectrometry Data by Neural Networks for Plant Samples Classification
by Polina Turova, Andrey Stavrianidi, Viktor Svekolkin, Dmitry Lyskov, Ilya Podolskiy, Igor Rodin, Oleg Shpigun and Aleksey Buryak
Metabolites 2022, 12(10), 993; https://doi.org/10.3390/metabo12100993 - 19 Oct 2022
Viewed by 1432
Abstract
Plant samples are potential sources of physiologically active secondary metabolites and their classification is an extremely important task in traditional medicine and other fields of research. In the production of herbal drugs, different plant parts of the same or related species can serve [...] Read more.
Plant samples are potential sources of physiologically active secondary metabolites and their classification is an extremely important task in traditional medicine and other fields of research. In the production of herbal drugs, different plant parts of the same or related species can serve as adulterants for primary plant material. The use of highly informative and relatively easily accessible tools, such as liquid chromatography and low-resolution mass spectrometry, helps to solve these tasks by means of fingerprint analysis. In this study, to reveal specific plant part features for 20 species from one family (Apiaceae), and to preserve the maximum information content, two approaches are suggested. In both cases, minimal raw data pretreatment, including rescaling of time and m/z axes and cutting off some uninformative regions, was applied. For the support vector machine (SVM) method, tensor unfolding was required, while neural networks (NNs) were able to work directly with squared heatmaps as input data. Moreover, five data augmentation variants are proposed, to overcome the typical problem of a lack of data. As a result, a comparable F1-score close to 0.75 was achieved by SVM and two employed NN architectures. Eight marker compounds belonging to chlorophylls, lipids, and coumarin apio-glucosides were tentatively identified as characteristic of their corresponding sample groups: roots, stems, leaves, and fruits. The proposed approaches are simple, information-saving and can be applied to a broad type of tasks in metabolomics. Full article
(This article belongs to the Special Issue Advances in Metabolic Studies in Plant Extraction)
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16 pages, 2158 KiB  
Article
Enhancing the Production of the Phenolic Extracts of Asparagus Using an Advanced Green Process
by Lucía López-Salas, Isabel Borrás-Linares, Rosa Quirantes-Piné, Tatiana Emanuelli, Antonio Segura-Carretero and Jesús Lozano-Sánchez
Metabolites 2022, 12(10), 951; https://doi.org/10.3390/metabo12100951 - 06 Oct 2022
Cited by 3 | Viewed by 1171
Abstract
Asparagus officinalis L. is a common vegetable widely consumed due to its high consumer acceptance. In addition to its flavor, green asparagus contains a high amount of bioactive compounds with health-promoting effects. In this sense, the growing concern of the public health system [...] Read more.
Asparagus officinalis L. is a common vegetable widely consumed due to its high consumer acceptance. In addition to its flavor, green asparagus contains a high amount of bioactive compounds with health-promoting effects. In this sense, the growing concern of the public health system to promote a diet with a higher consumption of vegetables makes research on phytochemicals from this food of interest. In order to study the content of bioactive compounds from plant matrices, the combination of advanced extraction and analytical techniques within the context of green chemistry is an indispensable working model in today’s research. In the present experimental work, the composition of the phytochemicals of green asparagus from the Protected Geographical Indication (PGI) located in Huétor Tájar, Granada (Spain), was evaluated by environmentally friendly extraction techniques. In order to carry out this work, the recovery of bioactive compounds was evaluated by pressurized liquid extraction (PLE) using GRAS (Generally Recognized As Safe) solvents (mixtures of water and ethanol). The extraction was optimized using a Response Surface Methodology (RSM) based on a 24 factorial Central Composite Design (CCD). The experimental model was followed by high-performance liquid chromatography coupled to electrospray ionization time-of-flight mass spectrometry (HPLC–ESI-TOF-MS) analytical methodology for a comprehensive characterization. The optimized methodology was compared with conventional solid–liquid extraction protocols using ethanol and water. The results highlighted the potential of advanced PLE techniques compared to conventional systems for the recovery of green asparagus phytochemicals. Moreover, the analytical characterization allowed the identification and quantitation of major phenolic compounds belonging to phenolic acids and flavonoids families. Therefore, an easy, fast, and novel methodology to optimize the extraction of bioactive compounds from green asparagus has been optimized, using Green and GRAS methodology, which enables a better understanding of the bioactive composition of this widely consumed food. Full article
(This article belongs to the Special Issue Advances in Metabolic Studies in Plant Extraction)
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15 pages, 1939 KiB  
Article
Hopomics: Humulus lupulus Brewing Cultivars Classification Based on LC-MS Profiling and Nested Feature Selection
by Yuriy Andreevich Ikhalaynen, Ivan Victorovich Plyushchenko and Igor Alexandrovich Rodin
Metabolites 2022, 12(10), 945; https://doi.org/10.3390/metabo12100945 - 05 Oct 2022
Cited by 2 | Viewed by 1723
Abstract
Omics approaches in plant analysis find many different applications, from classification to new bioactive compounds discovery. Metabolomics seems to be one of the most informative ways of describing plants’ phenotypes, since commonly used methods such as liquid chromatography–mass spectrometry (LC-MS) and nuclear magnetic [...] Read more.
Omics approaches in plant analysis find many different applications, from classification to new bioactive compounds discovery. Metabolomics seems to be one of the most informative ways of describing plants’ phenotypes, since commonly used methods such as liquid chromatography–mass spectrometry (LC-MS) and nuclear magnetic resonance spectroscopy (NMR) could provide a huge amount of information about samples. However, due to high efficiency, many disadvantages arise with the complexity of the experimental design. In the present work, we demonstrate an untargeted metabolomics pipeline with the example of a Humulus lupulus classification task. LC-MS profiling of brewing cultivars samples was carried out as a starting point. Hierarchical cluster analysis (HCA)-based classification in combination with nested feature selection was provided for sample discrimination and marker compounds discovery. Obtained metabolome-based classification showed an expected difference compared to genetic-based classification data. Nine compounds were found to have the biggest classification power during nested feature selection. Using database search and molecular network construction, five of them were identified as known hops bitter compounds. Full article
(This article belongs to the Special Issue Advances in Metabolic Studies in Plant Extraction)
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15 pages, 2515 KiB  
Article
Analysis of Metabolomic Changes in Xylem and Phloem Sap of Cucumber under Phosphorus Stresses
by Jingjing Sun, Qinglin Li, Hui Xu and Wentao Zhang
Metabolites 2022, 12(4), 361; https://doi.org/10.3390/metabo12040361 - 18 Apr 2022
Cited by 5 | Viewed by 2027
Abstract
Cucumber xylem and phloem sap is a key link in nutrient distribution, transportation and signal transduction of cucumber plants; however, the metabolic response mechanism of cucumber xylem and phloem sap under phosphorus stress has not been clearly revealed. In this study, gas chromatography-mass [...] Read more.
Cucumber xylem and phloem sap is a key link in nutrient distribution, transportation and signal transduction of cucumber plants; however, the metabolic response mechanism of cucumber xylem and phloem sap under phosphorus stress has not been clearly revealed. In this study, gas chromatography-mass spectrometry (GC-MS) combined with principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were used to analyze the metabolites in cucumber xylem and phloem sap under different phosphorus stress. A total of 22 differential metabolites were screened from xylem and phloem sap, respectively. Through the analysis of metabolic pathways of differential metabolites, four and three key metabolic pathways were screened, respectively. The results showed that compared with the normal phosphorus level, the content of most amino acids in the key metabolic pathway increased in xylem but decreased in phloem both under low and high phosphorus stress levels. The contents of sucrose and glucose in phloem glycolysis pathway showed a positive correlation with the change of phosphorus nutrient levels. The tricarboxylic acid cycle was promoted in xylem and phloem of cucumber under low and high phosphorus nutrient levels, and the contents of malic acid and citric acid increased significantly. This study provided abundant biochemical information for the metabolic response and regulation strategies of cucumber xylem and phloem under phosphorus stress, and is committed to looking for more sensitive markers to evaluate the supply level of phosphorus nutrients in cucumber. Full article
(This article belongs to the Special Issue Advances in Metabolic Studies in Plant Extraction)
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16 pages, 2958 KiB  
Article
LC-MS Based Metabolomics Analysis of Potato (Solanum tuberosum L.) Cultivars Irrigated with Quicklime Treated Acid Mine Drainage Water
by Rabelani Munyai, Maropeng Vellry Raletsena and David Mxolisi Modise
Metabolites 2022, 12(3), 221; https://doi.org/10.3390/metabo12030221 - 02 Mar 2022
Cited by 7 | Viewed by 2572
Abstract
In water-scarce areas, the reuse of (un)treated acid mine drainage (AMD) water for crop irrigation has become a requirement, but it also carries a wide range of contaminants that can elicit the synthesis of diverse metabolites necessary for the survival of the plants. [...] Read more.
In water-scarce areas, the reuse of (un)treated acid mine drainage (AMD) water for crop irrigation has become a requirement, but it also carries a wide range of contaminants that can elicit the synthesis of diverse metabolites necessary for the survival of the plants. There is still a paucity of studies on the impact of quicklime treated-AMD water on the metabolite synthesis of potatoes. This study examined the effect of the irrigation of two potato cultivars (Marykies and Royal cultivars) with quicklime-treated AMD water on their metabolite profiles. A greenhouse study was conducted with five experimental treatments with different solution ratios, replicated three times in a completely randomized design. A total of 40 and 36 metabolites from Marykies and Royal cultivars which include amino acids, organic acids, and aromatic amines were identified, respectively. The results revealed elevation in the abundance of metabolites under the irrigation with treated AMD water for both cultivars with subtle variations. This will provide information on the primary metabolite shifst in potato that enhance their survival and growth under AMD conditions. However, more specific data on toxicity due to AMD irrigation would be required for a refined risk assessment. Full article
(This article belongs to the Special Issue Advances in Metabolic Studies in Plant Extraction)
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14 pages, 2182 KiB  
Article
Untargeted Metabolomics Coupled with Chemometrics for Leaves and Stem Barks of Dioecious Morus alba L.
by Cui Wu, Huijun Wang, Zhenying Liu, Bo Xu, Zhuojun Li, Pingping Song and Zhimao Chao
Metabolites 2022, 12(2), 106; https://doi.org/10.3390/metabo12020106 - 24 Jan 2022
Cited by 9 | Viewed by 2739
Abstract
The differences in metabolites in male and female individuals of dioecious Morus alba L. (Moraceae) are usually ignored and lack study. In the present study, 58 leaves and 61 stem barks from male and female individuals were analyzed by untargeted metabolomics via headspace [...] Read more.
The differences in metabolites in male and female individuals of dioecious Morus alba L. (Moraceae) are usually ignored and lack study. In the present study, 58 leaves and 61 stem barks from male and female individuals were analyzed by untargeted metabolomics via headspace solid-phase microextraction gas chromatography-mass spectrometry (HS-SPME-GC-MS) coupled with chemometrics, including principal component analysis (PCA) and orthogonal partial least squares-discriminant analysis (OPLS-DA). A total of 66 and 44 metabolites were identified from leaves and stem barks, respectively. Four and eight differential metabolites among candidate metabolites in leaves and stem barks from male and female individuals were identified. Moreover, females possessed stronger antioxidant activity than males. This is the first report where untargeted metabolomics coupled with chemometrics was used to analyze the different metabolites and to discriminate the gender of leaves and stem barks of dioecious M. alba. It provided the basis for further study of M. alba and reference value for researching dioecious plants. Full article
(This article belongs to the Special Issue Advances in Metabolic Studies in Plant Extraction)
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