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Plant and Derived Natural Product Metabolomics

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

Deadline for manuscript submissions: closed (15 December 2020) | Viewed by 28827

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Dr. Mario Juan Simirgiotis Aguero

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Guest Editor

Instituto de Farmacia, Facultad de Ciencias, Universidad Austral de Chile, Casilla 567, Valdivia, Chile
Interests: stereochemistry; natural products; computational chemistry; HPLC-MS; NMR
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Prof. Dr. Ute Roessner

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Guest Editor

Metabolomics Australia, School of BioSciences, The University of Melbourne, Melbourne, VIC 3010, Australia
Interests: metabolomics; analytical biochemistry; metabolism; crop improvement; biomarker discovery
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

The study and applications of metabolites, also known as Metabolomics, is an interesting topic of study which has been growing in significance in the last few years. However, the systematic study of metabolites in plants and their application in natural products is still facing issues due to the high diversity of useful small metabolites in plant matrices. Metabolites in plants produce the color, taste, aroma, and scent of fruits and flowers, plant metabolites are associated with many resistance and stress responses in plants, and metabolomics analyses can be useful for various purposes, such as evaluation of pharmaceutical production, food safety assessment, chemotaxonomy, crop quality improvement, and plant metabolic engineering. Bioactive plant metabolites are useful in a myriad of applications, mostly related with human health diseases. Moreover, the understanding of plant physiology and biology from the analysis of small molecules and physiological processes such as cellular responses to various stimuli are key aspects to consider. Therefore, in this Special Issue, I invite research and review articles for “Plant Natural Product Metabolomics”. The contribution should be clearly stated in the manuscript, mainly linked to the metabolomics of sources of bioactive natural products, and related topics. The main methods used should be mass spectrometry, nuclear magnetic resonance spectroscopy, or other suitable techniques. Both untargeted and targeted analysis of bioactive metabolites are welcome. The envisaged topics include dietary and pharmacological interventions, metabolic flux analysis, genetic manipulation, in vitro/in vivo imaging, and protocol development for metabolomic experiments.

The Special Issue is open for submissions now. Certain extensions may be granted if you kindly let me know in advance. Accepted papers will be published rapidly and will be listed together on the Special Issue website.

Dr. Mario Juan Simirgiotis Aguero
Prof. Dr. Ute Roessner
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

HPLC MS
NMR
hyphenated techniques
mass spectrometry
phenolics
terpenoids
plant metabolites
natural products

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Published Papers (7 papers)

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Research

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16 pages, 3127 KiB

Open AccessArticle

Untargeted Metabolomics Analysis Using FTIR and UHPLC-Q-Orbitrap HRMS of Two Curculigo Species and Evaluation of Their Antioxidant and α-Glucosidase Inhibitory Activities

by Abdul Halim Umar, Diah Ratnadewi, Mohamad Rafi and Yohana Caecilia Sulistyaningsih

Metabolites 2021, 11(1), 42; https://doi.org/10.3390/metabo11010042 - 8 Jan 2021

Cited by 33 | Viewed by 4490

Abstract

Curculigo orchioides and C. latifolia have been used as traditional medicines such as antidiabetic and anticancer. This study measured the total phenolics and flavonoid contents as well as analyzed the functional groups and chemical compounds using Fourier-transform infrared (FTIR) spectra and UHPLC-Q-Orbitrap-HRMS profiling for the discrimination of plant parts, geographical origin, and compounds that presumably have a significant contribution as antioxidant and α-glucosidase inhibitors on both plants. The total phenolics and flavonoids contents in Curculigo species varied from 142.09 to 452.47 mg gallic acid equivalent (GAE/g) and from 0.82 to 5.44 mg quercetin equivalent (QE/g), respectively. The lowest IC₅₀ for antioxidant and α-glucosidase inhibitory activities is presented by C. latifolia from a higher altitude region. Principal component analysis (PCA) from FTIR and UHPLC-Q-Orbitrap-HRMS data could discriminate the plant parts and geographical origin. Partial least squares (PLS) analysis has identified several functional groups, such as O–H, C–H, C=O, C–C, C–O, and chemical compounds, unknown-185 and unknown-85, that are most likely to contribute to the antioxidant and α-glucosidase inhibitory activities. Full article

(This article belongs to the Special Issue Plant and Derived Natural Product Metabolomics)

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24 pages, 4947 KiB

Open AccessArticle

Untargeted Metabolomics Studies on Drug-Incubated Phragmites australis Profiles

by Rofida Wahman, Andres Sauvêtre, Peter Schröder, Stefan Moser and Thomas Letzel

Metabolites 2021, 11(1), 2; https://doi.org/10.3390/metabo11010002 - 22 Dec 2020

Cited by 5 | Viewed by 2732

Abstract

Plants produce a huge number of functionally and chemically different natural products that play an important role in linking the plant with the adjacent environment. Plants can also absorb and transform external organic compounds (xenobiotics). Currently there are only a few studies concerning the effects of xenobiotics and their transformation products on plant metabolites using a mass spectrometric untargeted screening strategy. This study was designed to investigate the changes of the Phragmites australis metabolome following/after diclofenac or carbamazepine incubation, using a serial coupling of reversed-phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) combined with accurate high-resolution time-of-flight mass spectrometer (TOF-MS). An untargeted screening strategy of metabolic fingerprints was developed to purposefully compare samples from differently treated P. australis plants, revealing that P. australis responded to each drug differently. When solvents with significantly different polarities were used, the metabolic profiles of P. australis were found to change significantly. For instance, the production of polyphenols (such as quercetin) in the plant increased after diclofenac incubation. Moreover, the pathway of unsaturated organic acids became more prominent, eventually as a reaction to protect the cells against reactive oxygen species (ROS). Hence, P. australis exhibited an adaptive mechanism to cope with each drug. Consequently, the untargeted screening approach is essential for understanding the complex response of plants to xenobiotics. Full article

(This article belongs to the Special Issue Plant and Derived Natural Product Metabolomics)

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26 pages, 1261 KiB

Open AccessArticle

Exploratory Analysis of Commercial Olive-Based Dietary Supplements Using Untargeted and Targeted Metabolomics

by Mar Garcia-Aloy, Nelli Groff, Domenico Masuero, Mauro Nisi, Antonio Franco, Furio Battelini, Urska Vrhovsek and Fulvio Mattivi

Metabolites 2020, 10(12), 516; https://doi.org/10.3390/metabo10120516 - 19 Dec 2020

Cited by 5 | Viewed by 3531

Abstract

The market of olive-based dietary supplements (OBDS) is composed of a broad range of natural extracts claiming different health effects and often sold without a clear statement on their chemical composition. The aim of this survey was to characterize the chemical profiles of 14 commercially available OBDS. As many as 378 compounds were tentatively annotated in the analyzed samples. Although for most of metabolites the annotation at level I was prevented due to the lack of the analytical standard, the spectra obtained from high-resolution tandem mass spectrometry (MS/MS) measurements were very informative, allowing annotation of dozens of metabolites at level II or III. A targeted method allowed the quantification of 26 selected compounds. A large qualitative and quantitative variability was observed. The products obtained from buds by glyceric maceration were those with the lowest concentrations of all the quantified elements. The dose of 5 mg of hydroxytyrosol, corresponding to the European Food Safety Authority (EFSA) health claim, was only reached by four products, all of them originating from the olive fruit or the leaves. If we also take into consideration oleuropein, two additional products provide this daily amount. This work demonstrates the high complexity and diversity in the composition of OBDS. Full article

(This article belongs to the Special Issue Plant and Derived Natural Product Metabolomics)

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18 pages, 2942 KiB

Open AccessArticle

Phytochemical Profile and Antioxidant Activity of Aerial and Underground Parts of Salvia bulleyana Diels. Plants

by Izabela Grzegorczyk-Karolak, Marta Krzemińska, Anna K. Kiss, Monika A. Olszewska and Aleksandra Owczarek

Metabolites 2020, 10(12), 497; https://doi.org/10.3390/metabo10120497 - 3 Dec 2020

Cited by 22 | Viewed by 3115

Abstract

Plants have been used for medical purposes since ancient times. However, a detailed analysis of their biological properties and their associated active compounds is needed to justify their therapeutic use in modern medicine. The aim of the study was to identify and quantify the phenolics present in hydromethanolic extracts of the roots and shoots of the Chinese Salvia species, Salvia bulleyana. The qualitative and quantitative analyses were carried out by ultrahigh-performance liquid chromatography with electrospray ionization mass spectrometry detection (UHPLC-PDA-ESI-MS), and high-performance liquid chromatography with photodiode array (HPLC-PDA) detection. The extracts of S. bulleyana were also screened for their antioxidant activity using ferric ion (Fe³⁺) reducing antioxidant power (FRAP), 1,1-diphenyl-2-picrylhydrazyl (DPPH), diammonium 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonate) cation (ABTS), superoxide radical anion (O₂•–), and inhibition of lipid peroxidation assays. The S. bulleyana extracts were found to contain 38 substances, of which 36 were phenols, with a total level of 14.4 mg/g DW (dry weight) in shoots, and 23.1 mg/g DW in roots. Twenty-eight phenols were polyphenolic acids or their derivatives, the most abundant in shoots being rosmarinic acid, and in roots, salvianolic acid K followed by rosmarinic acid. The other major phenolic acids were caffeic acid, caffeoyl-threonic acids, isomers of lithospermic acid, salvianolic acid F, salvianolic acid B, and yunnaneic acid E. In addition to polyphenolic acids, nine flavonoids were detected in the shoot extract. While both extracts showed significant antioxidant activity, the shoot extract, containing both polyphenolic acids and flavonoids, demonstrated a slightly greater antioxidant potential in some of the anti-radical tests than the roots. However, the root extract proved to be slightly more effective in the lipid peroxidation inhibition test. Thus, S. bulleyana was demonstrated as a promising source of antioxidants, and worthy of further more detailed studies. Full article

(This article belongs to the Special Issue Plant and Derived Natural Product Metabolomics)

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12 pages, 803 KiB

Open AccessArticle

Antioxidant and Antibacterial Capacities of Origanum vulgare L. Essential Oil from the Arid Andean Region of Chile and its Chemical Characterization by GC-MS

by Mario J. Simirgiotis, Daniel Burton, Felipe Parra, Jéssica López, Patricio Muñoz, Hugo Escobar and Claudio Parra

Metabolites 2020, 10(10), 414; https://doi.org/10.3390/metabo10100414 - 16 Oct 2020

Cited by 64 | Viewed by 8474

Abstract

This study aimed to characterize the in vitro antioxidant and antibacterial properties of oregano (Origanum vulgare) essential oil, as well as its chemical composition. To our best knowledge, there are few studies on oregano grown in the arid Andes region, but none on the metabolites produced and their bioactivity. This work identified fifty metabolites by Gas Chromatography–Mass Spectrometry (GC-MS)—monoterpene hydrocarbons, oxygenated monoterpenes, phenolic monoterpenes, sesquiterpene hydrocarbons, and oxygenated sesquiterpenes—present in the essential oil of oregano collected in the Atacama Desert. The main components of essential oregano oil were thymol (15.9%), Z-sabinene hydrate (13.4%), γ-terpinene (10.6%), p-cymene (8.6%), linalyl acetate (7.2%), sabinene (6.5%), and carvacrol methyl ether (5.6%). The antibacterial tests showed that the pathogenic bacteria Staphylococcus aureus and Salmonella enterica and the phytopathogenic bacteria Erwinia rhapontici and Xanthomonas campestris were the most susceptible to oregano oil, with the lowest concentrations of oil necessary to inhibit their bacterial growth. Moreover, oregano oil showed antibacterial activity against bacteria associated with food poisoning. In conclusion, O. vulgare from the arid Andean region possesses an important antibacterial activity with a high potential in the food industry and agriculture. Full article

(This article belongs to the Special Issue Plant and Derived Natural Product Metabolomics)

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14 pages, 1476 KiB

Open AccessArticle

Isolation of Three Lycorine Type Alkaloids from Rhodolirium speciosum (Herb.) Ravenna Using pH-Zone-Refinement Centrifugal Partition Chromatography and Their Acetylcholinesterase Inhibitory Activities

by Diana Isabel Correa, Edgar Pastene-Navarrete, Luis Bustamante, Marcelo Baeza and Julio Alarcón-Enos

Metabolites 2020, 10(8), 309; https://doi.org/10.3390/metabo10080309 - 28 Jul 2020

Cited by 7 | Viewed by 2875

Abstract

Preparative separation of three lycorine type alkaloids from Rhodolirum speciosum (Amaryllidaceae) was successfully carried out using pH-zone-refinement centrifugal partition chromatography (CPC) using the solvent system methyl-tert-butyl ether/acetonitrile/water (4:1:5, v/v/v) in descending mode. Using this system, Alkaloid 1 (165.7 mg, 88.2%, purity), 2 (60.1 mg, 97.7% purity) and 3 (12.3 mg, 84.4% purity) were obtained in one step. For structure elucidation, the pure alkaloids were subjected to spectroscopy analysis using nuclear magnetic resonance experiments (¹H-NMR, ¹³C-NMR) and gas chromatography coupled with mass spectrometry (GC-MS). Alkaloids 1, 2, and 3 were identified as 1-O-acetyl-5,6-dehydrolycorine, 1-O-acetyl-lycorine, and 1,2-O-diacetyl-5,6-dehydrolycorine, respectively. The acetylcholinesterase inhibitory activity of these alkaloids was IC₅₀ 151.1 μg/mL, IC₅₀ 203.5 μg/mL, IC₅₀ 470.0 μg/mL, and IC₅₀ 17.1 μg/mL, respectively. Full article

(This article belongs to the Special Issue Plant and Derived Natural Product Metabolomics)

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Review

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16 pages, 2498 KiB

Open AccessReview

Propolis from the Monte Region in Argentina: A Potential Phytotherapic and Food Functional Ingredient

by Iris Catiana Zampini, Ana Lia Salas, Luis M. Maldonado, Mario J. Simirgiotis and María Inés Isla

Metabolites 2021, 11(2), 76; https://doi.org/10.3390/metabo11020076 - 28 Jan 2021

Cited by 10 | Viewed by 2578

Abstract

The aim of this review is to provide overall information on Argentine propolis and to shed light on its potential, especially the one from the Monte region so as to support future research in the field. Around 1999, the Argentine propolis began to be chemically and functionally characterized to give it greater added value. Because Argentina has a wide plant biodiversity, it is expected that its propolis will have various botanical origins, and consequently, a different chemical composition. To date, five types have been defined. Based on their functionality, several products have been developed for use in human and veterinary medicine and in animal and human food. Because the Argentine propolis with the greatest potential is that of the Monte eco-region, this review will describe the findings of the last 20 years on this propolis, its botanical source (Zuccagnia punctata Cav.), its chemical composition, and a description of markers of chemical quality (chalcones) and functionality. Propolis can regulate the activity of various pro-inflammatory enzymes and carbohydrate and lipid metabolism enzymes, as well as remove reactive oxygen and nitrogen species. Consequently, it can modulate metabolic syndrome and could be used as a functional ingredient in food. Furthermore, hydroalcoholic extracts can act against human and animal pathogenic bacteria and human yeast, and mycelial pathogenic fungi. The ability to stop the growth of post-harvest pathogenic bacteria and fungi was also demonstrated. For this reason, Argentine propolis are natural products capable of protecting crops and increasing the lifespan of harvested fruit and vegetables. Several reports indicate the potential of Argentine propolis to be used in innovative products to improve health, food preservation, and packaging. However, there is still much to learn about these natural products to make a wholesome use of them. Full article

(This article belongs to the Special Issue Plant and Derived Natural Product Metabolomics)

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