Integrated Metabolomics and Plant Chemical Diversity

A special issue of Plants (ISSN 2223-7747). This special issue belongs to the section "Plant Physiology and Metabolism".

Deadline for manuscript submissions: closed (31 March 2022) | Viewed by 28318

Special Issue Editors

Jodrell Science Laboratory, Royal Botanic Gardens, Kew, Richmond, Surrey TW9 3DS, UK
Interests: specialised metabolites; plant–microbe interactions; ethnopharmacology; honest nutraceuticals, cosmetics, therapies, and foods (NCTFs) specialised metabolites
Special Issues, Collections and Topics in MDPI journals
Jodrell Science Laboratory, Royal Botanic Gardens, Kew, Richmond, Surrey TW9 3DS, UK
Interests: natural product chemistry; metabolomics; mass spectrometry; dereplication; datamining; chemometrics

Special Issue Information

Dear Colleagues,

The metabolome represents the product of specialised metabolism in totality. However, metabolomic study is restricted to the limits of detection according to the instrumentation used. For example, the very first mention of the term “metabolomic profile” was by Roger Williams in the 1940s, who only used paper chromatography. Today, metabolic studies utilise spectrometric or spectroscopic techniques that include GC-MS, LC-MS, or NMR. Recently, advanced computation tools (i.e., molecular networking) have been introduced to metabolomics to suit the trends in the pharmacological sciences. They are used as part of an “integrated” approach to identify new metabolites that are structurally related to existing scaffolds.

Hence, modern use of metabolomics in plant science addresses several gaps in our knowledge, such as: 1) identification of new metabolites to science; 2) plant–animal, plant–plant, and plant–microbe interactions; 3) plant chemical ecology; 4) taxonomy; 5) chemical and systematic geography; and 6) drug discovery. Integrated metabolomics goes a step further, seeking to combine metabolomic data with other disciplines, such as molecular systematics, gene expression (transcriptomics), in vitro bioassays, and in silico modeling, morphology, or environment, just to name a few. Lastly, publicly available data can be “mined” and either used on their own or incorporated into one’s own dataset in a larger analysis. Thus, the creation of quality metabolomic studies per se serves that end purpose.

The current Special Issue welcomes any kind of metabolomic or integrated studies that elucidate plant chemical diversity and its transdisciplinary applications in plant sciences.

Dr. Nicholas J. S adgrove
Dr. Guillermo Federico Padilla-Gonzalez
Guest Editors

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Keywords

  • metabolomics
  • diversity
  • networking
  • mass spectrometry
  • nuclear magnetic resonance spectroscopy
  • gas chromatography

Published Papers (6 papers)

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Research

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19 pages, 9277 KiB  
Article
Phytochemical Profile and Antioxidant Capacity of Viscum album L. Subsp. album and Effects on Its Host Trees
by Eva Kleszken, Cornelia Purcarea, Annamaria Pallag, Floricuta Ranga, Adriana Ramona Memete, Florina Miere (Groza) and Simona Ioana Vicas
Plants 2022, 11(22), 3021; https://doi.org/10.3390/plants11223021 - 09 Nov 2022
Cited by 7 | Viewed by 2709
Abstract
Viscum album L. subsp. album is a hemiparasitic plant that is recognized as a medicinal plant due to its beneficial effects, including anti-tumor activity, antioxidant, anti-inflammatory, anti-hepatotoxic, hypoglycemic, and antimicrobial properties as well as for lowering blood pressure. On the other hand, mistletoe [...] Read more.
Viscum album L. subsp. album is a hemiparasitic plant that is recognized as a medicinal plant due to its beneficial effects, including anti-tumor activity, antioxidant, anti-inflammatory, anti-hepatotoxic, hypoglycemic, and antimicrobial properties as well as for lowering blood pressure. On the other hand, mistletoe is a biotic stressor for both deciduous trees and conifers. Our main aim was to evidence the influence of mistletoe on the content of chlorophylls, proline, total phenols, flavonoids, and antioxidant capacity of leaves from tree host trees (Malus domestica, Prunus domestica, and Populus alba) that grow on the northwest of Romania. In addition, HPLC-DAD-MS-ESI+ was used to analyze the phenolic acid and flavonoid profiles of V. album L. subsp. album leaves according to their parasitized hosts. A significant decrease in chlorophyll a level of approximately 32% was detected in poplars infested with mistletoe, followed by infested apples and plums with pigment reductions of 29.25% and 9.65%, respectively. The content of total phenols and flavonoids in the parasitized trees was higher compared to the non-parasitized ones. In the case of poplar, which presented the highest incidence of mistletoe infestation (70.37%), the content of total phenols in the leaves was two times higher compared to non-infested leaves. Based on HPLC chromatographic analysis, leaves of mistletoe growing on apple (VAM) had the highest content of phenolic acids (7.833 mg/g dw), followed by mistletoe leaves on poplar (VAO) and plum (VAP) (7.033 mg/g dw and, respectively, 5.559 mg/g dw). Among the flavonols, the predominant component was Rhamnazin glucosides in the amount of 1.025 ± 0.08 mg/g dw in VAO, followed by VAP and VAM (0.514 ± 0.04 and 0.478 ± 0.04 mg/g dw, respectively). Although our results show that mistletoe negatively influences the host trees, it is still a valuable plant that must be exploited to bring benefits to human health. Full article
(This article belongs to the Special Issue Integrated Metabolomics and Plant Chemical Diversity)
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16 pages, 8810 KiB  
Article
Comparative Investigation of Combined Metabolomics-Flavoromics during the Ripening of Mango (Mangifera indica L.) cv. ‘Nam Dok Mai Si Thong’ and ‘Nam Dok Mai No. 4’
by Ye Lin Aung, Yaowapa Lorjaroenphon, Pinthip Rumpagaporn, Sudathip Sae-tan and Kriskamol Na Jom
Plants 2021, 10(10), 2198; https://doi.org/10.3390/plants10102198 - 16 Oct 2021
Cited by 6 | Viewed by 4389
Abstract
A metabolomics-flavoromics approach was conducted to assess the micromolecules of ‘Nam Dok Mai Si Thong’ and ‘Nam Dok Mai No. 4’ mango cultivars from two seasons. During ripening, FAMEs, FFAs, fatty alcohols, sterols, and organic acids were dominant at 0–2 days, whereas amino [...] Read more.
A metabolomics-flavoromics approach was conducted to assess the micromolecules of ‘Nam Dok Mai Si Thong’ and ‘Nam Dok Mai No. 4’ mango cultivars from two seasons. During ripening, FAMEs, FFAs, fatty alcohols, sterols, and organic acids were dominant at 0–2 days, whereas amino acids, sugars, and volatile organic compounds, including esters, alcohols, ketones, aldehydes, and terpenes, were at higher levels at 4–8 days. Nine metabolites (palmitic/linoleic/linolenic/citric/malic acids, β-sitosterol, sucrose, glycine, and leucine) and two volatile organic compounds (ethyl octanoate/decanoate) were related to ripening-associated changes within eight days. During ripening, sucrose at 6–8 days, citric/malic acid at 0–2 days, glycine and leucine at 4 days, and ethyl octanoate and ethyl decanoate at 8 days could be used as quality biomarkers for Nam Dok Mai Si Thong; palmitic/linoleic/linolenic acids at 0 days and β-sitosterol at 0–4 days could be used as quality biomarkers for Nam Dok Mai No. 4. Full article
(This article belongs to the Special Issue Integrated Metabolomics and Plant Chemical Diversity)
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42 pages, 7577 KiB  
Article
Advanced Chemophenetic Analysis of Essential Oil from Leaves of Piper gaudichaudianum Kunth (Piperaceae) Using a New Reduction-Oxidation Index to Explore Seasonal and Circadian Rhythms
by Ygor Jessé Ramos, Claudete da Costa-Oliveira, Irene Candido-Fonseca, George Azevedo de Queiroz, Elsie Franklin Guimarães, Anna C. Antunes e Defaveri, Nicholas John Sadgrove and Davyson de Lima Moreira
Plants 2021, 10(10), 2116; https://doi.org/10.3390/plants10102116 - 06 Oct 2021
Cited by 8 | Viewed by 2377
Abstract
The aromatic species Piper gaudichaudianum Kunth (Piperaceae) is widely used in Brazil for medicinal and ritualistic applications. In the current study, chemophenetic patterns were realized across season and circadian rhythm based on the chemical profile of essential oils (EOs) from leaves. Hydrodistilled essential [...] Read more.
The aromatic species Piper gaudichaudianum Kunth (Piperaceae) is widely used in Brazil for medicinal and ritualistic applications. In the current study, chemophenetic patterns were realized across season and circadian rhythm based on the chemical profile of essential oils (EOs) from leaves. Hydrodistilled essential oils were analyzed by GC-MS and GC-FID, and a new calculation of metabolite oxidation level, averaged for each individual molecule component of the EO, was used to explore the patterns of metabolism/biosynthesis. This new index used an intermediate calculation, the ‘weighted average redox standard’ (SRO), to enable a value for mixtures of metabolites to be generated, the ‘general mixture redox index’ (GMOR). The indices were subjected to a proof-of-concept approach by making comparison to outcomes from multivariate analyses, i.e., PCA and HCA. Chemical analysis demonstrated that the essential oils were dominated by sesquiterpenes, constructed of 15 classes of compound (C-skeletons), and 4 C-skeletons were recognized in the monoterpene group, giving a total of 19. The variation of chemical profiles was distinct at different phenological stages, but stronger chemical variation was evident between day and night as compared to season. Furthermore, due to comprehensive sampling across different regions, nine chemotypes were recognized, including those previously reported. The SRO and GMRO indices demonstrate that phenological variation of chemistry is mainly an outcome of redox fluctuations in terpene biosynthesis, changing from day to night. These indices also corroborate that chemical diversity is increased with oxidative metabolism. Lastly, the current study demonstrates pronounced phenotypic plasticity in P. gaudichaudianum, which makes it a suitable candidate to help further our understanding of chemophenetics and chemical ecology. Full article
(This article belongs to the Special Issue Integrated Metabolomics and Plant Chemical Diversity)
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11 pages, 1553 KiB  
Article
Metabolomic Response of Tomatoes (Solanum lycopersicum L.) against Bacterial Wilt (Ralstonia solanacearum) Using 1H-NMR Spectroscopy
by Rudi Hari Murti, Enik Nurlaili Afifah and Tri Rini Nuringtyas
Plants 2021, 10(6), 1143; https://doi.org/10.3390/plants10061143 - 03 Jun 2021
Cited by 8 | Viewed by 3142
Abstract
Ralstonia solanacearum is the pathogen responsible for wilting, yield losses, and death in tomato plants. The use of resistant cultivars has been proven as the most appropriate solution to controlling this pathogen. Therefore, further study of host-plant resistance mechanisms in tomatoes is urgently [...] Read more.
Ralstonia solanacearum is the pathogen responsible for wilting, yield losses, and death in tomato plants. The use of resistant cultivars has been proven as the most appropriate solution to controlling this pathogen. Therefore, further study of host-plant resistance mechanisms in tomatoes is urgently needed. 1H-NMR (nuclear magnetic resonance) spectroscopy combined with multivariate data analysis has been used to identify the biochemical compounds that play a crucial role in the defense mechanisms of tomato against bacterial wilt. Eleven metabolites consisting of amino acids, sugars and organic acids were identified and presented at different concentrations in each cultivar. Leucine and valine were determined as distinguishable metabolites of resistant and susceptible cultivars. Permata and Hawaii 7996 as resistant cultivars had a significant decrease of valine after inoculation about 1.5–2 times compared to the susceptible cultivar (GM2). Meanwhile, the resistant cultivars had a higher level of leucine, about 1.3–1.5 times compared to the susceptible ones. Synthesis of leucine and valine are linked as a member of the pyruvate family. Therefore, the decrease in valine may be related to the higher need for leucine to form the leucine-rich receptor, which plays a role in the plant’s immune system against the bacterial wilt. Full article
(This article belongs to the Special Issue Integrated Metabolomics and Plant Chemical Diversity)
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Review

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17 pages, 315 KiB  
Review
Extraction Methods, Quantitative and Qualitative Phytochemical Screening of Medicinal Plants for Antimicrobial Textiles: A Review
by Elvino Nortjie, Moses Basitere, Doice Moyo and Pardon Nyamukamba
Plants 2022, 11(15), 2011; https://doi.org/10.3390/plants11152011 - 02 Aug 2022
Cited by 21 | Viewed by 10448
Abstract
Medicinal plants are the product of natural drug discoveries and have gained traction due to their pharmacological activities. Pathogens are everywhere, and they thrive in ideal conditions depending on the nutrients, moisture, temperature, and pH that increase the growth of harmful pathogens on [...] Read more.
Medicinal plants are the product of natural drug discoveries and have gained traction due to their pharmacological activities. Pathogens are everywhere, and they thrive in ideal conditions depending on the nutrients, moisture, temperature, and pH that increase the growth of harmful pathogens on surfaces and textiles. Thus, antimicrobial agents and finishes may be the solution to the destruction of pathogens. This review article presents an analysis of various aspects of producing antimicrobial finishings, the microorganisms, their mechanism of attachment to natural and synthetic fibre, the effect of microbial growth, and the principle and mechanism of the microbial activity of the medicinal plants. Furthermore, the extraction methods, qualitative and quantitative phytochemical evaluations of antimicrobial efficacy, and developments of antimicrobial treated textiles using various agents are covered in this review. Full article
(This article belongs to the Special Issue Integrated Metabolomics and Plant Chemical Diversity)
42 pages, 10351 KiB  
Review
The Ethnobotany and Chemistry of South African Meliaceae: A Review
by Mariam Oyefunke Oyedeji-Amusa, Nicholas J. Sadgrove and Ben-Erik Van Wyk
Plants 2021, 10(9), 1796; https://doi.org/10.3390/plants10091796 - 28 Aug 2021
Cited by 9 | Viewed by 3686
Abstract
Meliaceae are widely distributed across the world in tropical or subtropical climates and are of considerable ethnobotanical importance as sources of traditional medicine and cosmetics. This comprehensive review summarizes the ethnobotanical uses and chemistry of 12 South African species, belonging to six genera: [...] Read more.
Meliaceae are widely distributed across the world in tropical or subtropical climates and are of considerable ethnobotanical importance as sources of traditional medicine and cosmetics. This comprehensive review summarizes the ethnobotanical uses and chemistry of 12 South African species, belonging to six genera: Ekebergia, Nymania, Entandrophragma, Pseudobersama, Trichilia, and Turraea. Eight of the species have ethnomedicinal records, classified into 17 major disease categories. The ethnomedicinal uses comprise 85 ailments dominated by gastrointestinal complaints, followed by gynaecological and obstetrics related problems. Chemical records were found for 10 species, which describe nine classes of compounds. In nearly all South African Meliaceae, limonoids are the predominant constituents while triterpenes, sterols, and coumarins are also common. The widest range of use-records and medicinal applications are found with the two most chemically diverse species, Ekebergiacapensis and Trichiliaemetica. Of the chemical compounds identified in the various plant organs of the 10 species of South African Meliaceae for which data are available, 42% was found in bark and 17% in seeds. Roots represent 35% and bark 33% of the organs that are used medicinally, and they are typically prepared as decoctions or infusions. Root and bark harvesting are destructive so that it may be important to examine the chemistry of plant parts such as wild-crafted leaves and fruits. Full article
(This article belongs to the Special Issue Integrated Metabolomics and Plant Chemical Diversity)
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