Submit to Plants Review for Plants Propose a Special Issue

Journal Menu

Journal Browser

► Journal Browser

Phytochemical Analysis and Metabolic Profiling in Plants

Special Issue Editors
Special Issue Information
Keywords
Benefits of Publishing in a Special Issue
Related Special Issue
Published Papers

A special issue of Plants (ISSN 2223-7747). This special issue belongs to the section "Phytochemistry".

Deadline for manuscript submissions: closed (28 February 2025) | Viewed by 16378

Share This Special Issue

Special Issue Editors

Dr. Yulian Voynikov

E-Mail Website1 Website2
Guest Editor

Chemistry, Faculty of Pharmacy, Medical Unviersity, 1000 Sofia, Bulgaria
Interests: LC-MS; metabolomics; data analysis; R programming; statistics
Special Issues, Collections and Topics in MDPI journals

Dr. Dimitrina Zheleva-Dimitrova

E-Mail Website
Guest Editor

Pharmacognosy, Faculty of Pharmacy, Medical Unviersity, 1000 Sofia, Bulgaria
Interests: phytochemical analysis; LC-MS; plant metabolomics; pharmacognosy
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Phytochemical analysis and metabolic profiling are essential in plant science. These techniques analyze the chemical composition of plants and identify secondary metabolites such as flavonoids, alkaloids, terpenoids, and phenolic compounds. Advances in analytical technologies have made it possible to use UHPLC-HRMS for phytochemical analysis and metabolic profiling, providing improved separation and detection of a wider range of compounds.

This upcoming issue of the scientific, peer-reviewed, open access journal “Plants”, titled “Phytochemical Analysis and Metabolic Profiling in Plants”, published by MDPI, will focus on the use of modern techniques for metabolic profiling of plant metabolites, as UHPLC-HRMS and modern data analysis methods. The issue will provide a platform for researchers to share their findings and insights in plant science. Articles covering a range of topics, such as the discovery of new metabolites and the development of new analytical methods, are welcome.

We also encourage the use of data analysis techniques, for processing and analyzing mass spectral data. Clustering techniques, such as hierarchical clustering and k-means clustering, and multivariate statistical techniques, such as PCA and PLS-DA, can also enhance the analysis of large and complex datasets.

This issue offers a unique opportunity for researchers to share their latest findings and advance the field of phytochemical analysis and metabolic profiling in plants.

Dr. Yulian Voynikov
Dr. Dimitrina Zheleva-Dimitrova
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. Plants is an international peer-reviewed open access semimonthly 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

phytochemical analysis
UHPLC-HRMS
clustering
data analysis
secondary metabolites

Benefits of Publishing in a Special Issue

Ease of navigation: Grouping papers by topic helps scholars navigate broad scope journals more efficiently.
Greater discoverability: Special Issues support the reach and impact of scientific research. Articles in Special Issues are more discoverable and cited more frequently.
Expansion of research network: Special Issues facilitate connections among authors, fostering scientific collaborations.
External promotion: Articles in Special Issues are often promoted through the journal's social media, increasing their visibility.
e-Book format: Special Issues with more than 10 articles can be published as dedicated e-books, ensuring wide and rapid dissemination.

Further information on MDPI's Special Issue policies can be found here.

Related Special Issue

Phytochemical Analysis and Metabolic Profiling in Plants—2nd Edition in Plants

Published Papers (9 papers)

Download All Papers

Order results

Result details

Show export options Show export options

Select all

Export citation of selected articles as:

Research

13 pages, 1566 KiB

Open AccessArticle

Analysis of Variations in the Flavonoid Profiles of Cuscuta campestris and Cuscuta epithymum in Bulgaria as a Potential Chemotaxonomical Marker

by Bilyana Chakarova, Lyuben Zagorchev, Kalina Pachedjieva, Anita Tosheva, Tzvetelina Zagorcheva, Krasimir Rusanov and Denitsa Teofanova

Plants 2025, 14(8), 1220; https://doi.org/10.3390/plants14081220 - 16 Apr 2025

Viewed by 61

Abstract

Holoparasitic plants of the genus Cuscuta are generally considered prominent agricultural pests. In addition to their negative economic effect on agriculture and their impact on natural plant societies, they have also been long known in East Asian as medicinal plants with beneficial properties. This underlines the fact that Cuscuta spp. are particularly rich in specialized metabolites, flavonoids, alkaloids, and cumarines, among others. In addition to several well-characterized species, most of the species variety within the genus remains largely unstudied. In the present study we aimed to compare the flavonoid profiles of natural populations of two of the most abundant Cuscuta species in Bulgaria—the native C. epithymum, and the naturalized C. campestris. Based on HPLC-MS/MS analysis, a total of 13 polyphenolics compounds were annotated, with hyperoside and isoquercitrin being some of the most abundant. Some notable differences were found, like the complete absence of dicaffeoylquinic acid in C. campestris, and kaempferol-3,7-O-diglucoside and kaempferol 3-O-β-(6′′-O-trans-p-coumaroyl)-glucopyranoside in C. epithymum. The population of the two species clustered separately from each other, with some variations, but with no clear pattern of dependence on the locality or host species. Based on the results it can be concluded that flavonoids may be used as chemotaxonomical markers within the genus, showing that even in different climatic conditions and different host ranges, the two studied species clearly differed from each other. Also, their rich content emphasizes the potential of these parasites as a source of bioactive compounds. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Figure 1

43 pages, 2356 KiB

Open AccessArticle

Application of Supercritical CO₂ Extraction and Identification of Polyphenolic Compounds in Three Species of Wild Rose from Kamchatka: Rosa acicularis, Rosa amblyotis, and Rosa rugosa

by Mayya P. Razgonova, Muhammad A. Nawaz, Elena A. Rusakova and Kirill S. Golokhvast

Plants 2025, 14(1), 59; https://doi.org/10.3390/plants14010059 - 27 Dec 2024

Viewed by 1042

Abstract

A comparative metabolomic study of three varieties of wild Rosa (Rosa acicularis, Rosa amblyotis, and Rosa rugosa) from a Kamchatka expedition (2024) was conducted via extraction with supercritical carbon dioxide modified with ethanol (EtOH), and detection of bioactive compounds was realized via tandem mass spectrometry. Several experimental conditions were investigated in the pressure range 50–350 bar, with the used volume of co-solvent ethanol in the amount of 2% in the liquid phase at a temperature in the range of 31–70 °C. The most effective extraction conditions are the following: pressure 200 Bar and temperature 55 °C for Rosa acicularis; pressure 250 Bar and temperature 60 °C for Rosa amblyotis; pressure 200 Bar and temperature 60 °C for Rosa rugosa. Three varieties of wild Rosa contain various phenolic compounds and compounds of other chemical groups with valuable biological activity. Tandem mass spectrometry (HPLC-ESI–ion trap) was applied to detect the target analytes. A total of 283 bioactive compounds (two hundred seventeen compounds from the polyphenol group and sixty-six compounds from other chemical groups) were tentatively identified in extracts from berries of wild Rosa. For the first time, forty-eight chemical constituents from the polyphenol group (15 flavones, 14 flavonols, 4 flavan-3-ols, 3 flavanones, 1 phenylpropanoid, 2 gallotannins, 1 ellagitannin, 4 phenolic acids, 1 dihydrochalcone, and 3 coumarins) were identified in supercritical extracts of R. acicularis, R. amblyotis, and R. rugosa. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Figure 1

13 pages, 2295 KiB

Open AccessCommunication

Determination of Flavonoid Glycoside Isomers Using Vision Transformer and Tandem Mass Spectrometry

by Ji In Park, Myeong Ji Kim, Kyu Hyeong Lee, Seung Hyun Oh, Young Hoon Kang and Hyunwoo Kim

Plants 2024, 13(23), 3401; https://doi.org/10.3390/plants13233401 - 4 Dec 2024

Viewed by 1381

Abstract

A vision transformer (ViT)-based deep neural network was applied to classify the flavonoid glycoside isomers by analyzing electrospray ionization tandem mass spectrometry (ESI-MS/MS) spectra. Our model successfully classified the flavonoid isomers with various substitution patterns (3-O, 6-C, 7-O, 8-C, 4′-O) and multiple glycosides, achieving over 80% accuracy during training. In addition, the experimental spectra from flavonoid glycoside standards were acquired with different adducts, and our model showed robust performance regardless of the experimental conditions. As a result, the vision transformer-based computer vision model is promising for analyzing mass spectrometry data. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Figure 1

18 pages, 2560 KiB

Open AccessArticle

Effects of Postharvest SO₂ Treatment on Longan Aril Flavor and Glucosinolate Metabolites

by Rob Md Mahfuzur, Dongmei Han, Jianhang Xu, Yuqiong Lin, Xiaomeng Guo, Tao Luo, Zhenxian Wu, Shilian Huang, Xinmin Lv and Junbin Wei

Plants 2024, 13(21), 3061; https://doi.org/10.3390/plants13213061 - 31 Oct 2024

Viewed by 978

Abstract

SO₂ fumigation treatment (commonly known as sulfur treatment, ST) is a key method in the postharvest preservation of imported and exported fresh longan fruits, effectively reducing pericarp browning and enhancing color. Nonetheless, distinctive aromas, often referred to as “sulfur flavor”, may develop in the aril during the extended preservation period. This study employed “Caopu” longan as the test material and patented SO₂-releasing paper (ZL201610227848.7) as a treatment to perform a 35-day low-temperature (5 °C) storage of the fruit. The changes in glucosinolates (GSLs) and associated metabolites in the aril of treated fruit (ST) were examined utilizing ultra-high-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) detection and widely targeted metabolomics technology. The findings indicated that following 35 days of storage, nearly all control (CK) fruit pericarp turned to brown, resulting in an edible fruit rate of 75.41% and a commercial fruit rate of 0%. In contrast, the treated (ST) fruit demonstrated an edible fruit rate and a commercial rate of 99.44%, while the pericarp color changed from dark yellow-brown to light earthy yellow. The sulfur-containing metabolites identified in longan fruit aril predominantly consist of amino acids and their derivatives (60.44%), followed by alkaloids (15.38%), nucleotides and their derivatives (1.10%), and other types (23.08%), which include GSLs. SO₂ treatment significantly reduced the content of oxidized glutathione in fruit aril but increased the content of GSLs and related amino acids and their derivatives. Via screening, 19 differential sulfur-containing metabolites were obtained between ST and CK, including 11 GSLs. The identified differential metabolites of GSLs were all increased, primarily comprising aliphatic GSLs, such as 1-hydroxymethyl glucosinolate, 2-Propenyl glucosinolate (Sinigrin), and 4-Methylsulfinylbutyl glucosinolate (Glucoraphanin). Pathway analysis showed that these differential metabolites were mainly involved in coenzyme factor synthesis, cysteine and methionine metabolism, and amino acid synthesis, among other pathways. To the best of our knowledge, this is the first study to reveal the causes of the special flavor of longan aril after SO₂ treatment, which is a great concern for longan consumers. Moreover, this study provides a scientific basis for exploring the reasons and mechanisms for the development of the sulfur flavor in the SO₂-treated fruits during postharvest storage. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Figure 1

14 pages, 2044 KiB

Open AccessArticle

Development of UHPLC-Q-Exactive Orbitrap/MS Technique for Determination of Proanthocyanidins (PAs) Monomer Composition Content in Persimmon

by Xianyang Zhao, Da Ren, Rui Jin, Wenxing Chen, Liqing Xu, Dayong Guo, Qinglin Zhang and Zhengrong Luo

Plants 2024, 13(11), 1440; https://doi.org/10.3390/plants13111440 - 22 May 2024

Cited by 1 | Viewed by 1690

Abstract

The main units of persimmon proanthocyanidins (PAs) are composed of flavan-3-ols including epigallocatechin gallate (EGCG) and gallocatechin gallate (GCG). Precise quantification of GCG is challenging due to its trace amounts in persimmon. In this study, to establish the optimal UHPLC-Q-Exactive Orbitrap/MS technique for the determination of PAs monomer composition in persimmon fruit flesh of different astringency types, mass spectrometry and chromatographic conditions were optimized. The results showed that when operating in negative ion mode, using a T3 chromatographic column (a type of C18 column with high-strength silica), acetonitrile as the organic phase, a 0.1% mobile phase acid content, and a mobile phase flow rate of 0.2 mL/min, the chromatographic peak shape and resolution of the PAs monomer composition improved. Additionally, there was no tailing phenomenon observed in the chromatographic peaks. At the same time, the intra-day and inter-day precision, stability, and recovery of the procedure were good. The relative standard deviation (RSD) of stability was less than 5%. The intra-day precision was in the range of 1.14% to 2.36%, and the inter-day precision ranged from 1.03% to 2.92%, both of which were less than 5%. The recovery rate ranged from 94.43% to 98.59% with an RSD less than 5%. The results showed that the UHPLC-Q-Exactive Orbitrap/MS technique established in this study can not only be used for the quantification of EGCG and GCG in persimmon fruit flesh but also be suitable for analyzing other PAs monomer compositions, providing robust support for the related research on persimmon PAs. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Figure 1

13 pages, 980 KiB

Open AccessArticle

Antioxidant, Enzyme Inhibitory, and Protective Effect of Amelanchier lamarckii Extract

by Adela Maria Dăescu, Mădălina Nistor, Alexandru Nicolescu, Roxana Pop, Andrea Bunea, Dumitrita Rugina and Adela Pintea

Plants 2024, 13(10), 1347; https://doi.org/10.3390/plants13101347 - 13 May 2024

Cited by 1 | Viewed by 1930

Abstract

The present study aimed to investigate the chemical content of Romanian juneberries (Amelanchier lamarckii), their effect on antioxidant and enzyme inhibition activities, and their bioaccessibility after simulated in-vitro digestion. In Amelanchier lamarckii extract (AME), 16 polyphenolic compounds were identified by LC-ESI+-MS analysis. The most representative compounds found in the extract were cyanidin-galactoside, 3,4-dihydroxy-5-methoxybenzoic acid, feruloylquinic acid, and kaempferol, all belonging to the anthocyanins, phenolic acids, and flavonols subclasses. The polyphenols of AME exert quenching abilities of harmful reactive oxygen species, as the CUPRAC antioxidant assay value was 323.99 µmol Trolox/g fruit (FW), whereas the FRAP antioxidant value was 4.10 μmol Fe²⁺/g fruit (FW). Enzyme inhibition assays targeting tyrosinase (IC50 = 8.843 mg/mL), α-glucosidase (IC50 = 14.03 mg/mL), and acetylcholinesterase (IC50 = 49.55 mg/mL) were used for a screening of AME’s inhibitory potential against these key enzymes as a common approach for the discovery of potential antidiabetic, skin pigmentation, and neurodegenerative effects. The screening for the potential antidiabetic effects due to the α-glucosidase inhibition was performed in glucose-induced disease conditions in a human retinal pigmented epithelial cell experimental model, proving that AME could have protective potential. In conclusion, AME is a valuable source of phenolic compounds with promising antioxidant potential and metabolic disease-protective effects, warranting further investigation for its use in the nutraceutical and health industries. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Graphical abstract

13 pages, 2666 KiB

Open AccessArticle

Investigation of Pharmacologically Important Polyphenolic Secondary Metabolites in Plant-based Food Samples Using HPLC-DAD

by Naheed Akhtar, Amna Jabbar Siddiqui, Muhammad Ramzan, Jalal Uddin, Mufarreh Asmari, Hesham R. El-Seedi and Syed Ghulam Musharraf

Plants 2024, 13(10), 1311; https://doi.org/10.3390/plants13101311 - 10 May 2024

Viewed by 1439

Abstract

Polyphenolic compounds are vital components of plants. However, their analysis is particularly difficult and challenging due to their similar chemical and structural properties. In this study, we developed a simple and reproducible HPLC-DAD protocol for determining nineteen pharmacologically important polyphenols in plant-based food samples, including fruits (apple, banana, grapefruit, peach, grapes, plum, and pear), vegetables (onion, cabbage, capsicum, garlic, lemon, tomato, potato, and spinach), and other edible items (corn, kidney beans, green tea, black tea, and turmeric). The reference standards were pooled into four different groups based on logP values and expected retention time to avoid compound co-elution. These developed methods will be useful for the qualitative and quantitative analysis of biologically important polyphenolic compounds in various food samples and botanicals. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Graphical abstract

23 pages, 3602 KiB

Open AccessArticle

The Effect of Illumination Patterns during Mung Bean Seed Germination on the Metabolite Composition of the Sprouts

by Irina N. Perchuk, Tatyana. V. Shelenga and Marina. O. Burlyaeva

Plants 2023, 12(21), 3772; https://doi.org/10.3390/plants12213772 - 4 Nov 2023

Cited by 3 | Viewed by 4249

Abstract

Mung bean (Vigna radiata (L.) Wilczek) sprouts are popular over the world because of their taste, nutritional value, well-balanced biochemical composition, and other properties beneficial for human health. Germination conditions affect the composition of metabolites in mung bean sprouts, so a detailed study into its variability is required. This article presents the results of a comparison of the metabolite composition in the leaves of mung bean sprouts germinated first in the dark (DS) and then in the light (LS). Gas chromatography with mass spectrometry (GC–MS) made it possible to identify more than 100 compounds representing various groups of phytochemicals. Alcohols, amino acids, and saccharides predominated in the total amount of compounds. The analysis of metabolomic profiles exposed a fairly high intra- and intervarietal variability in the metabolite content. DS and LS differed in the qualitative and quantitative content of the identified compounds. The intravarietal variability was more pronounced in DS than in LS. DS demonstrated higher levels of saccharides, fatty acids, acylglycerols, and phenolic compounds, while amino acids were higher in LS. Changes were recorded in the quantitative content of metabolites participating in the response of plants to stressors—ornithine, proline, GABA, inositol derivatives, etc. The changes were probably induced by the stress experienced by the sprouts when they were transferred from shade to light. The analysis of variance and principal factor analysis showed the statistically significant effect of germination conditions on the content of individual compounds in leaves. The identified features of metabolite variability in mung bean genotypes grown under different conditions will contribute to more accurate selection of an illumination pattern to obtain sprouts with desirable biochemical compositions for use in various diets and products with high nutritional value. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Figure 1

24 pages, 2322 KiB

Open AccessArticle

Orbitrap Mass Spectrometry-Based Profiling of Secondary Metabolites in Two Unexplored Eminium Species and Bioactivity Potential

by Ebru Yuce Babacan, Dimitrina Zheleva-Dimitrova, Reneta Gevrenova, Abdelhakim Bouyahya, Mehmet Maruf Balos, Ugur Cakilcioglu, Kouadio Ibrahime Sinan and Gokhan Zengin

Plants 2023, 12(12), 2252; https://doi.org/10.3390/plants12122252 - 8 Jun 2023

Cited by 4 | Viewed by 2317

Abstract

The study aimed at the metabolite profiling and evaluation of antioxidant and enzyme inhibitory properties of methanol extracts from flowers, leaves, and tubers of unexplored Eminium intortum (Banks & Sol.) Kuntze and E. spiculatum (Blume) Schott (Araceae). A total of 83 metabolites, including 19 phenolic acids, 46 flavonoids, 11 amino, and 7 fatty acids were identified by UHPLC-HRMS in the studied extracts for the first time. E. intortum flower and leaf extracts had the highest total phenolic and flavonoid contents (50.82 ± 0.71 mg GAE/g and 65.08 ± 0.38 RE/g, respectively). Significant radical scavenging activity (32.20 ± 1.26 and 54.34 ± 0.53 mg TE/g for DPPH and ABTS) and reducing power (88.27 ± 1.49 and 33.13 ± 0.68 mg TE/g for CUPRAC and FRAP) were observed in leaf extracts. E. intortum flowers showed the maximum anticholinesterase activity (2.72 ± 0.03 mg GALAE/g). E. spiculatum leaves and tubers exhibited the highest inhibition towards α-glucosidase (0.99 ± 0.02 ACAE/g) and tirosinase (50.73 ± 2.29 mg KAE/g), respectively. A multivariate analysis revealed that O-hydroxycinnamoylglycosyl-C-flavonoid glycosides mostly accounted for the discrimination of both species. Thus, E. intortum and E. spiculatum can be considered as potential candidates for designing functional ingredients in the pharmaceutical and nutraceutical industries. Full article

(This article belongs to the Special Issue Phytochemical Analysis and Metabolic Profiling in Plants)

► Show Figures

Journal Menu

Journal Browser

Phytochemical Analysis and Metabolic Profiling in Plants

Share This Special Issue

Special Issue Editors

Special Issue Information

Keywords

Benefits of Publishing in a Special Issue

Related Special Issue

Published Papers (9 papers)

Research

Further Information

Guidelines

MDPI Initiatives

Follow MDPI