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Metabolites
Special Issues
Phenolic Compounds and Metabolome
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Phenolic Compounds and Metabolome

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

Deadline for manuscript submissions: closed (15 February 2021) | Viewed by 18903

Special Issue Editors

Prof. Dr. Gabriele Capodaglio

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Guest Editor
Department of Environmental Sciences, Informatics and Statistics, University Ca’ Foscari of Venice, 30123 Venezia, Italy
Interests: analytical chemistry; plant chemical characterization; environmental chemistry
Prof. Dr. Esra Capanoglu

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Guest Editor
Department of Food Engineering, Istanbul Technical University, Maslak, 34469 Istanbul, Turkey
Interests: phenolics; antioxidants; metabolites; in vitro bioaccessibility; fruit and vegetable processing
Special Issues, Collections and Topics in MDPI journals
Dr. Elisa Scalabrin

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Guest Editor
Department of Environmental Sciences, Informatics and Statistics, Ca' Foscari University, Torino 155, 30172 Mestre, Italy
Interests: plant metabolomics; food chemistry; analytical chemistry; environmental chemistry
Dr. Marta Radaelli

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Guest Editor
Department of Environmental Sciences, Informatics and Statistics, Ca' Foscari University, Torino 155, 30172 Mestre, Italy
Interests: food chemistry, analytical chemistry, environmental chemistry

Special Issue Information

Dear Colleagues,

Scientists have a continually growing interest in plant secondary metabolites with respect to their biological activities and the properties in relation to their use in the nutraceutical field. In particular, phenolic compounds are known to possess remarkable properties from a pharmaceutical and nutritional point of view, and at the same time, they are important indicators of the physiological status of plants. This Special Issue aims at gathering the most recent contributions in relation to their chemical characteristics, extraction, analytical techniques for their determination, and assessing their biological activities.

Contributions to this Special Issue, both in the form of original research and review articles, may cover all aspects of plant metabolome studies with particular attention on phenolic compounds and other bioactive molecules, including:

  • Their chemical characterization in different plant species;
  • Methods for their extraction, purification, and quantification;
  • Food waste or byproducts valorization;
  • Effects of biotic/abiotic stress on plant metabolome;
  • The metabolomics approach in geographical origin determination and metabolomic fingerprinting.

Prof. Dr. Gabriele Capodaglio
Prof. Dr. Esra Capanoglu
Dr. Elisa Scalabrin
Dr. Marta Radaelli
Guest Editors

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

  • Plant metabolome
  • Phenolic compounds
  • Recovery and quantification of vegetal metabolites
  • Geographical origin and metabolomic fingerprint
  • Stress effects on plant metabolome
  • Vegetal byproducts valorization

Published Papers (6 papers)

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Research

20 pages, 2583 KiB  
Article
Feature-Based Molecular Network-Guided Dereplication of Natural Bioactive Products from Leaves of Stryphnodendron pulcherrimum (Willd.) Hochr
by Paulo Gomes, Luis Quirós-Guerrero, Consuelo Silva, Sônia Pamplona, Jean A. Boutin, Marcos Eberlin, Jean-Luc Wolfender and Milton Silva
Metabolites 2021, 11(5), 281; https://doi.org/10.3390/metabo11050281 - 29 Apr 2021
Cited by 14 | Viewed by 4208
Abstract
Stryphnodendron pulcherrimum is a species known to have a high content of tannins. Accordingly, its preparations are used in southern Pará, Brazil, for their anti-inflammatory and antimicrobial activities, but so far, its chemical profile composition remains essentially unknown. We herein describe the compounds [...] Read more.
Stryphnodendron pulcherrimum is a species known to have a high content of tannins. Accordingly, its preparations are used in southern Pará, Brazil, for their anti-inflammatory and antimicrobial activities, but so far, its chemical profile composition remains essentially unknown. We herein describe the compounds present in a hydro-acetonic extract from S. pulcherrimum leaves as revealed by dereplication via ultra-high performance liquid chromatography coupled to high-resolution mass spectrometry. The data were combined with spectral organization, spectral matching through the Global Natural Products Social platform, in silico annotation and taxonomical ponderation. Several types of phenolic compounds were identified such as gallic acids, flavan-3-ols and flavone-like compounds. From these, 5 have been recently reported by our group, whereas 44 are reported here for the first time in this tree species, and 41 (out of 49) for this genus. The results highlight the possible role of Stryphnodendron pulcherrimum as a renewable source for natural bioactive products with potential pharmaceutical applications. Full article
(This article belongs to the Special Issue Phenolic Compounds and Metabolome)
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22 pages, 2861 KiB  
Article
5-CQA and Mangiferin, Two Leaf Biomarkers of Adaptation to Full Sun or Shade Conditions in Coffea arabica L.
by Teerarat Duangsodsri, Luc Villain, Ialy Rojo Vestalys, Serge Michalet, Cécile Abdallah, Jean-Christophe Breitler, Mélanie Bordeaux, Andres Mauricio Villegas, Marson Raherimandimby, Laurent Legendre, Hervé Etienne, Benoît Bertrand and Claudine Campa
Metabolites 2020, 10(10), 383; https://doi.org/10.3390/metabo10100383 - 26 Sep 2020
Cited by 4 | Viewed by 2601
Abstract
Phenolic compounds are involved in plant response to environmental conditions and are highly present in leaves of Coffea arabica L., originally an understory shrub. To increase knowledge of C. arabica leaf phenolic compounds and their patterns in adaptation to light intensity, mature leaves [...] Read more.
Phenolic compounds are involved in plant response to environmental conditions and are highly present in leaves of Coffea arabica L., originally an understory shrub. To increase knowledge of C. arabica leaf phenolic compounds and their patterns in adaptation to light intensity, mature leaves of Ethiopian wild accessions, American pure lines and their relative F1 hybrids were sampled in full sun or under 50% shade field plots in Mexico and at two contrasting elevations in Nicaragua and Colombia. Twenty-one phenolic compounds were identified by LC-DAD-MS2 and sixteen were quantified by HPLC-DAD. Four of them appeared to be involved in C. arabica response to light intensity. They were consistently more accumulated in full sun, presenting a stable ratio of leaf content in the sun vs. shade for all the studied genotypes: 1.6 for 5-CQA, F-dihex and mangiferin and 2.8 for rutin. Moreover, 5-CQA and mangiferin contents, in full sun and shade, allowed for differentiating the two genetic groups of Ethiopian wild accessions (higher contents) vs. cultivated American pure lines. They appear, therefore, to be potential biomarkers of adaptation of C. arabica to light intensity for breeding programs. We hypothesize that low 5-CQA and mangiferin leaf contents should be searched for adaptation to full-sun cropping systems and high contents used for agroforestry systems. Full article
(This article belongs to the Special Issue Phenolic Compounds and Metabolome)
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13 pages, 1822 KiB  
Article
Multiblock Analysis to Relate Polyphenol Targeted Mass Spectrometry and Sensory Properties of Chocolates and Cocoa Beans
by Noémie Fayeulle, Sébastien Preys, Jean-Michel Roger, Renaud Boulanger, Clotilde Hue, Véronique Cheynier and Nicolas Sommerer
Metabolites 2020, 10(8), 311; https://doi.org/10.3390/metabo10080311 - 29 Jul 2020
Cited by 6 | Viewed by 2826
Abstract
Chocolate quality is largely due to the presence of polyphenols and especially of flavan-3-ols and their derivatives that contribute to bitterness and astringency. The aim of the present work was to assess the potential of a quantitative polyphenol targeted metabolomics analysis based on [...] Read more.
Chocolate quality is largely due to the presence of polyphenols and especially of flavan-3-ols and their derivatives that contribute to bitterness and astringency. The aim of the present work was to assess the potential of a quantitative polyphenol targeted metabolomics analysis based on mass spectrometry for relating cocoa bean polyphenol composition corresponding chocolate polyphenol composition and sensory properties. One-hundred cocoa bean samples were transformed to chocolates using a standard process, and the latter were attributed to four different groups by sensory analysis. Polyphenols were analyzed by an ultra-high-performance liquid chromatography (UPLC) system hyphenated to a triple quadrupole mass spectrometer. A multiblock method called a Common Component and Specific Weights Analysis (CCSWA) was used to study relationships between the three datasets, i.e., cocoa polyphenols, chocolate polyphenols and sensory profiles. The CCSWA multiblock method coupling sensory and chocolate polyphenols differentiated the four sensory poles. It showed that polyphenolic and sensory data both contained information enabling the sensory poles’ separation, even if they can be also complementary. A large amount of variance in the cocoa bean and corresponding chocolate polyphenols has been linked. The cocoa bean phenolic composition turned out to be a major factor in explaining the sensory pole separation. Full article
(This article belongs to the Special Issue Phenolic Compounds and Metabolome)
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19 pages, 3196 KiB  
Article
Effects of Water Deficit and Heat Stress on Nicotiana langsdorffii Metabolomic Pattern Modified by Insertion of rolD Gene from Agrobacterium rhizogenes
by Elisa Scalabrin, Marta Radaelli and Gabriele Capodaglio
Metabolites 2020, 10(8), 310; https://doi.org/10.3390/metabo10080310 - 29 Jul 2020
Viewed by 2676
Abstract
Abiotic stresses are major factors that negatively affect plant growth and productivity. Plants have developed complex strategies to ensure their survival and reproduction under adverse conditions, activating mechanisms that involve changes at different metabolic levels. In order to select stress-resistant species, research has [...] Read more.
Abiotic stresses are major factors that negatively affect plant growth and productivity. Plants have developed complex strategies to ensure their survival and reproduction under adverse conditions, activating mechanisms that involve changes at different metabolic levels. In order to select stress-resistant species, research has focused on molecular studies and genetic engineering, showing promising results. In this work, the insertion of the rolD gene from Agrobacterium rhizogenes into Nicotiana langsdorffii plants is investigated, in order to assess the potential of this genetic modification towards mitigating water and heat stresses. Different approaches were combined: a high-throughput metabolomics and ionomics study was performed, together with the determination of important plant phytohormones. The aim was to identify the influence of abiotic stresses on plants and to highlight the effects of the rolD genetic modification on plant stress response. The most relevant compounds for each kind of stress were identified, belonging mainly to the classes of lipids, acyl sugars, glycosides, and amino acid derivatives. Water stress (WS) determined a decrease of elements and secondary metabolites, while amino acids and their derivatives increased, proving to be key molecules in this type of stress. RolD plants exposed to high temperature stress (HS) presented higher dry weight levels than controls, as well as increased amounts of K and adenosine and lower levels of damage-associated metabolites, suggesting the increased resistance of rolD-modified plants toward HS. Full article
(This article belongs to the Special Issue Phenolic Compounds and Metabolome)
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12 pages, 1405 KiB  
Article
A Simple GC-MS/MS Method for Determination of Smoke Taint-Related Volatile Phenols in Grapes
by Zhiqian Liu, Vilnis Ezernieks, Priyanka Reddy, Aaron Elkins, Christian Krill, Kieran Murphy, Simone Rochfort and German Spangenberg
Metabolites 2020, 10(7), 294; https://doi.org/10.3390/metabo10070294 - 17 Jul 2020
Cited by 14 | Viewed by 3298
Abstract
Volatile phenols (VPs) derived from smoke-exposed grapes are known to confer a smoky flavor to wine. Current methods for determination of VPs in grape berries either involve complex sample purification/derivatization steps or employ two analytical platforms for free and bound VP fractions. We [...] Read more.
Volatile phenols (VPs) derived from smoke-exposed grapes are known to confer a smoky flavor to wine. Current methods for determination of VPs in grape berries either involve complex sample purification/derivatization steps or employ two analytical platforms for free and bound VP fractions. We report here a simple gas chromatography-tandem mass spectrometry (GC-MS/MS) method for quantification of both free and bound VPs in grapes, based on optimized (1) GC-MS/MS parameters, (2) an analyte extraction procedure, and (3) phenol glycoside hydrolysis conditions. Requiring neither sample cleanup nor a derivatization step, this method is sensitive (LOD ≤ 1 ng/g berries) and reproducible (RSD < 12% for repeated analyses) and is expected to significantly reduce the sample turnover time for smoke taint detection in vineyards. Full article
(This article belongs to the Special Issue Phenolic Compounds and Metabolome)
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14 pages, 1009 KiB  
Article
Food Targeting: Determination of the Cocoa Shell Content (Theobroma cacao L.) in Cocoa Products by LC-QqQ-MS/MS
by Nicolas Cain, Christian Marji, Kristian von Wuthenau, Torben Segelke and Markus Fischer
Metabolites 2020, 10(3), 91; https://doi.org/10.3390/metabo10030091 - 05 Mar 2020
Cited by 7 | Viewed by 2405
Abstract
A targeted metabolomics LC-ESI-QqQ-MS/MS application for the determination of cocoa shell based on 15 non-polar key metabolites was developed, validated according to recognized guidelines, and used to predict the cocoa shell content in various cocoa products. For the cocoa shell prediction, different PLSR [...] Read more.
A targeted metabolomics LC-ESI-QqQ-MS/MS application for the determination of cocoa shell based on 15 non-polar key metabolites was developed, validated according to recognized guidelines, and used to predict the cocoa shell content in various cocoa products. For the cocoa shell prediction, different PLSR models based on different cocoa shell calibration series were developed and their suitability and prediction quality were compared. By analysing samples from different origins and harvest years with known shell content, the prediction model could be confirmed. The predicted shell content could be verified with a deviation of about 1% cocoa shell. The presented method demonstrates the suitability of the targeted application of metabolomic profiling for the determination of cocoa shell and its applicability in routine analysis is discussed. Full article
(This article belongs to the Special Issue Phenolic Compounds and Metabolome)
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