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Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition

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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Natural Products Chemistry".

Deadline for manuscript submissions: closed (30 April 2026) | Viewed by 4120

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Dr. Maja Jukić Špika

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Guest Editor

The Institute of Adriatic Culture and Karst Restoration, University of Split, Split, Croatia
Interests: food quality; analytics of olive oil; sensory analysis; polyphenolic potential of fruit and vegetable
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Dr. Barbara Soldo

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Guest Editor

Faculty of Science Department of Chemistry, University of Split, Split, Croatia
Interests: chromatography; spectroscopy; biochemical analysis of food; bioactive heterocyclic compounds
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Special Issue Information

Dear Colleagues,

This Special Issue will present research investigating the chemical composition and biologically active compounds isolated from plants. It will also address the methods used to isolate individual groups of chemical compounds and their subsequent chemical analysis. The determination of the biological activity of certain chemical compounds, such as polyphenols, tocopherols, and anthocyanins, underlines their importance. Results related to the antioxidant, antitumor, and microbiological activities of individual compounds or groups of compounds from plant sources are able to elucidate the potential applications of these chemical substances.

Authors are invited to contribute original research and review articles that address the application of analytical data in food chemistry and biological activity assays. This comprehensive approach will provide important chemical information regarding the composition and potential applications of individual chemical compounds from plants.

Dr. Maja Jukić Špika
Dr. Barbara Soldo
Guest Editors

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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. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

plants
extraction
chemical composition
biologically active compounds
antioxidation
antitumor activity
microbiological activity

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Plant-Based Food Science: Chemical Composition and Biological Activity in Molecules (12 articles)

Published Papers (5 papers)

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Research

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19 pages, 1445 KB

Open AccessArticle

Chemical Characterization, Evaluation of Antimicrobial Potential, and Cytotoxic Activity of Thuja occidentalis L. and Myrtus communis L. Essential Oils for Topical Applications

by Elena Dănilă, Ioana Cristina Marinas, Madalina Diana Gaboreanu, Vlad Andrei Neacșu, Irina Titorencu, Minodora Maria Marin, Durmuş Alpaslan Kaya, Nafiz Çeliktaş, Mădălina Albu Kaya and Raluca Țuțuianu

Molecules 2026, 31(7), 1225; https://doi.org/10.3390/molecules31071225 - 7 Apr 2026

Viewed by 489

Abstract

In this study, we investigated the chemical composition, antimicrobial and antibiofilm activities, and cytotoxicity of Thuja occidentalis L. (thuja) and Myrtus communis L. (myrtle) essential oils (EOs) to evaluate their potential as natural alternatives for topical applications. Thuja EOs were extracted from fresh and dried leaves and cones, while myrtle EO was extracted from fresh leaves. GC-MS analysis revealed that myrtle EO was rich in oxygenated monoterpenes (58.2%), predominantly eucalyptol (41.86%) and α-pinene (20.98%). In contrast, thuja EOs were dominated by monoterpene hydrocarbons (55–82%), with α-pinene as the major component (29–66%), and their composition varied markedly with plant organ and moisture state. Myrtle EO displayed the most potent and broad-spectrum antimicrobial activity, with MIC values as low as 3.096 µL/mL against Staphylococcus aureus and Escherichia coli, and effectively inhibited microbial adherence. Thuja EOs showed selective activity, particularly against Gram-positive bacteria and Candida parapsilosis, with EOs extracted from fresh leaves and cones exhibiting the lowest MICs (1.95–7.8 µL/mL). All EOs did not show cytotoxicity to human keratinocytes at concentrations ≤125 µg/mL and, when diluted to 0.05%, indicated excellent skin compatibility in human patch tests. This study suggests that myrtle and thuja EOs, particularly myrtle, are promising and safe natural antimicrobial agents for dermatological and cosmetic formulations. Full article

(This article belongs to the Special Issue Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition)

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20 pages, 2326 KB

Open AccessFeature PaperArticle

Apoptotic Effects of Agapanthus africanus Extracts and Identification of Volatile Compounds from the n-Butanol Fraction

by Makgwale S. Mphahlele, Kingsley C. Mbara, Daniel M. Tswaledi, Raymond T. Makola, Clemence Tarirai and Jeremia L. Shai

Molecules 2026, 31(7), 1062; https://doi.org/10.3390/molecules31071062 - 24 Mar 2026

Viewed by 455

Abstract

Agapanthus africanus (L.) Hoffmanns. is a medicinal plant traditionally used in South Africa for its promise as a source of bioactive compounds with anticancer properties. This study aimed to investigate the apoptotic effects of A. africanus fractions on cancer cell lines and to identify the bioactive phytochemical constituents using gas chromatography-mass spectrometry analysis. To test for cytotoxicity, MCF-7, A549, and HeLa cancer cells were treated with crude extract, n-hexane, n-butanol, dichloromethane, and aqueous fractions of A. africanus extracts at different concentrations (0.00–1000 µg/mL). Total apoptosis was quantified using Annexin V/PI staining. The 4′,6-diamidino-2-phenylindole was used to detect nuclear morphological changes and the Caspase-GLO 3/7 assay was employed to check the caspase activation in the cancer cells. Expression of apoptosis-related (caspase-3, bax, bcl-2) genes was evaluated using real time-polymerase chain reaction. The crude extract of A. africanus exhibited dose-dependent cytotoxicity against MCF-7, A549, and HeLa cells, with IC₅₀ values of 130 µg/mL, 380 µg/mL, and <125 µg/mL, respectively. Among the tested fractions, the n-butanol fraction showed cytotoxicity towards MCF-7 cells with an IC₅₀ value of <870 µg/mL. In contrast, n-hexane, dichloromethane and the aqueous fractions exhibited higher IC₅₀ values against cancer cells. Flow cytometry analysis, which was applied to quantify total apoptosis, revealed that the crude extract of A. africanus induced apoptosis by (~60%) compared to the n-butanol fraction, which exhibited a moderate apoptotic effect (~27%). DAPI nuclear staining showed nuclear shrinkage and chromatin condensation in the MCF-7 cell line, whereas in Caspase-GLO 3/7, the crude extract and n-butanol fraction resulted in significant luminescence, indicating activation of caspase-3/7. Caspase-3/7 analysis showed A. africanus treatments produced varying levels of apoptotic activation. The crude extract increased caspase activity by 2.9-fold, while the n-butanol fraction induced a 1.7-fold rise compared with untreated cells. GC-MS chromatograms detected and identified 16 compounds in the fractionated n-butanol and 23 compounds from the crude extract of A. africanus. The major compounds identified from the n-butanol fraction included n-hexadecanoic acid; α-tocopherol and 9,12,15-octadecatrienoic acid, while the GC–MS profile of the crude extract was dominated by 6,10,14-trimethylpentadecan-2-one; 1,3,5-Triphenylcyclohexane and phytol. The study indicates the pro-apoptotic potential of A. africanus, particularly in its crude form, supporting its ethnopharmacological use and suggesting its relevance as a candidate for anticancer drug discovery. Full article

(This article belongs to the Special Issue Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition)

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20 pages, 1685 KB

Open AccessArticle

Nutritional and Antioxidant Profile of Brown Eragrostis tef (Zucc.) Trotter Flour in Blends with Glycine max (L.) Merr. Flour

by Shewangzaw Addisu Mekuria, Kamil Czwartkowski and Joanna Harasym

Molecules 2026, 31(2), 365; https://doi.org/10.3390/molecules31020365 - 20 Jan 2026

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Abstract

The still-growing demand for nutritious gluten-free products necessitates the development of a composite flour that addresses the nutritional deficiencies common in conventional gluten-free formulations. This study aimed to comprehensively characterize brown teff (Eragrostis tef (Zucc.) Trotter) and soybean (Glycine max (L.) Merr.) composite flours at 0%, 10%, 20%, 30%, and 40% soybean inclusion levels (w/w) to establish evidence-based formulation guidelines for future products. Proximate composition, antioxidant properties (total polyphenol content—TPC, antioxidant capacity vs. 2,2-diphenyl-1-picrylhydrazyl radical—DPPH and 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid radical—ABTS, ferric reducing antioxidant power—FRAP), particle size distribution, pasting properties, color characteristics, and molecular fingerprints (Fourier transform infrared spectroscopy—FTIR) were evaluated. A principal component analysis (PCA) was employed to identify compositional–functional relationships. Soybean inclusion significantly enhanced protein content from 9.93% (pure teff) to 23.07% (60:40 blend, dry matter), fat from 2.14% to 10.47%, and fiber from 3.43% to 6.72%. The antioxidant capacity increased proportionally with soybean content, with a 40% inclusion yielding FRAP values of 5.19 mg FeSO₄/g DM and TPC of 3.44 mg GAE/g DM. However, pasting viscosity decreased notably from 12,198.00 mPa·s (pure teff) to 129.00 mPa·s (60:40 blend), indicating a reduced gel-forming capacity caused by soybean addition. PCA revealed that nutritional composition (PC1: 70.6% variance) and pasting properties (PC2: 21.0% variance) vary independently, suggesting non-additive functional behavior in blends. Brown teff–soybean blends at a 20–30% soybean inclusion optimize the balance between protein enhancement, antioxidant preservation, and the maintenance of functional properties suitable for traditional applications, providing a nutritionally superior alternative for gluten-free product development. Full article

(This article belongs to the Special Issue Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition)

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15 pages, 625 KB

Open AccessArticle

Phytochemical Profile, Extraction and Characterization of Bioactive Compounds from Industrial Hemp (Cannabis sativa L.) Felina 32 Variety

by Monika Haczkiewicz, Marta Świtalska, Jacek Łyczko, Joanna Wietrzyk and Anna Gliszczyńska

Molecules 2025, 30(20), 4148; https://doi.org/10.3390/molecules30204148 - 21 Oct 2025

Cited by 1 | Viewed by 1375

Abstract

An efficient method for the simultaneous extraction of cannabinoids and terpenes from the leaves and flowers of Cannabis sativa L. (var. Felina 32) was developed. Extraction parameters, including solvent type, temperature, and pressure, were optimized, revealing that hexane enables high-yield cannabinoid recovery. Moreover, terpene composition was influenced by the extraction temperature. Two extracts with the highest cannabinoid content were selected for further study, Feli1 (64.76%) and Feli2 (61.32%), both obtained using hexane. Feli1, extracted at –55 °C, had a monoterpene-to-sesquiterpene ratio of 16.7% to 83.3%, while Feli2, extracted at 25 °C, showed a higher monoterpene content (25.2%) and lower sesquiterpene content (74.8%). Both extracts demonstrated selective antiproliferative activity against cancer cell lines, with reduced toxicity toward normal breast epithelial cells (MCF-10A). Feli2 showed slightly stronger antiproliferative effects, likely due to its higher monoterpene content. At low concentrations, both extracts stimulated the growth of MV4-11 leukemia and MDA-MB-468 triple-negative breast cancer (TNBC) cells, while higher concentrations led to growth inhibition. These stimulatory effects were weaker than those observed for pure Δ⁹-THC or CBD. Full article

(This article belongs to the Special Issue Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition)

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Review

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34 pages, 2111 KB

Open AccessReview

Chemical Compositions, Traditional Applications, and Biological Activities of Gnaphalium affine D. Don: A Comprehensive Review

by Chen Ding, Yimiao Zhou, Lin Yang, Liquan Zhou and Zuowei Xiao

Molecules 2026, 31(7), 1199; https://doi.org/10.3390/molecules31071199 - 4 Apr 2026

Viewed by 631

Abstract

Gnaphalium affine D. Don (G. affine), a genus within the genus Gnaphalium of the Asteraceae family, is recognized as a significant medicinal resource. Phytochemical investigations identified various bioactive compounds in G. affine, including flavonoids, terpenoids, phenolic acids, alkaloids, and amino acids. These compounds exhibit a range of pharmacological activities such as antimicrobial, cough expectorant, antioxidant, and anti-inflammatory properties, as well as the regulation of lipid and glucose metabolism, reduction of uric acid levels, hepatoprotective effects, and anti-tumor activities. However, research concerning the chemical composition, biological activities, and potential applications of synthesized G. affine remains limited. In light of the growing interest in this species, the present paper aims to provide a comprehensive overview of the current research advancements related to the traditional applications, chemical constituents, and biological effects of G. affine. Additionally, this study will discuss future prospects for the development and application of G. affine to enhance its utilization in various fields. Full article

(This article belongs to the Special Issue Plant-Based Food Science: Chemical Composition and Biological Activity—2nd Edition)

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