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Plant Volatile Organic Compounds: Extraction, Characterization and Biological Activities

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

Deadline for manuscript submissions: 31 December 2025 | Viewed by 4930

Special Issue Editors

Institute of Agricultural and Environmental Research and Technology (IITAA), University of the Azores, 9700-042 Angra do Heroísmo, Terceira, Azores, Portugal
Interests: essential oils; plant secondary metabolites; chromatographic techniques; biological activities
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Guest Editor
Department of Physics, Chemistry and Engineering (DPCE) and Institute of Agricultural and Environmental Research and Technology (IITAA), University of Azores, 9500-321 Ponta Delgada, São Miguel, Azores, Portugal
Interests: organic chemistry; natural products; phytochemistry; essential oils; biological activities
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Volatile organic compounds (VOCs) are among the most well-known plant specialized metabolites gaining increasing attention due to their ecological functions, chemical diversity, and wide-ranging biological properties. These molecules play key roles in plant defence, communication, and adaptation, and they also hold tremendous potential for applications across the pharmaceutical, agrochemical, food, and cosmetic industries.

This Special Issue aims to gather high-quality original research and review articles that explore the extraction methods, chemical profiling, and functional properties of VOCs from a wide variety of plant species. Emphasis will be placed on sustainable and innovative extraction technologies, including green and circular approaches that valorise agricultural and forestry residues as raw materials.

We encourage submissions that address topics including, but not limited to, the following:

  • Innovative and sustainable extraction techniques (e.g., hydrodistillation, microwave-assisted extraction, supercritical fluid extraction).
  • Chemical characterization of plant VOCs using GC-MS, GC×GC, enantioselective analysis, and related methods.
  • Biological activities of plant VOCs, such as
    • Antioxidant;
    • Anti-inflammatory;
    • Antimicrobial (bacterial, fungal, viral);
    • Insecticidal and pesticidal;
    • Neuroprotective and psychopharmacological effects.
  • Structure–activity relationships (SARs),
  • Valorisation of by-products and waste biomass from agro-industrial and forestry processes
  • Ecological functions and interactions of plant VOCs
  • Formulation and delivery systems for plant VOC-based products.
This Special Issue seeks to promote the development of nature-based solutions through the integration of phytochemistry, pharmacology, biotechnology, and sustainable industrial practices.

Dr. Ana Lima
Prof. Dr. Elisabete Maria de Castro Lima
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 250 words) can be sent to the Editorial Office for assessment.

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.

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 volatile organic compounds
  • biosynthesis and emission
  • essential oils
  • biological activities
  • green extraction
  • omics technologies
  • circular bioeconomy

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Published Papers (3 papers)

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Research

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21 pages, 4724 KB  
Article
GC/MS and PCA Analysis of Volatile Compounds Profile in Various Ilex Species
by Anna Zwyrzykowska-Wodzińska, Piotr Okińczyc, Jakub Szperlik, Bogdan Jarosz, Przemysław Bąbelewski, Antoni Szumny, Zdenek Zadák, Anna Jankowska-Mąkosa and Damian Knecht
Molecules 2025, 30(21), 4230; https://doi.org/10.3390/molecules30214230 - 29 Oct 2025
Viewed by 614
Abstract
Species of Ilex genus are particularly rich in bioactive constituents such as polyphenols, saponins, and alkaloids. In terms of phytochemical research, volatile compounds have not been as widely investigated as non-volatile ones. Therefore, in the present research we investigated the phytochemical profile of [...] Read more.
Species of Ilex genus are particularly rich in bioactive constituents such as polyphenols, saponins, and alkaloids. In terms of phytochemical research, volatile compounds have not been as widely investigated as non-volatile ones. Therefore, in the present research we investigated the phytochemical profile of selected Ilex species by headspace-solid phase-microextraction coupled with gas chromatography-mass spectrometry (HD-SPME-GC/MS). Phytochemical profile between the same and different species was variable. For this reason, it was investigated by principal component analysis (PCA), matrix correlation (calculation of R2 and Pearson correlation parameter between samples) as well as hierarchical clustering (dendrogram). In our results, we exhibited that the amount of (Z)-2-hexenal and methyl salicylate was the most important factor for ascertaining similarity between samples. However, concentrations of some of these components were insufficient to describe all dependencies between Ilex specimens. Further analyses (PCA and dendrogram), exhibited that thymoquinone had secondary impact on phytochemical profiles similarity, as did o-methyl-anisole, (E)-2-decenal, salicylaldehyde and (Z)-3-hexen-1-ol. Differences of profile between samples may result from many factors such as local environmental conditions, creation of different chemotypes or even infestation by unknown pathogens or the presence of non-pathogenic microorganisms. Further research is required to investigate this phenomenon. Moreover, it was found that some of Ilex species may be potential sources of bioactive volatile components. Full article
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Review

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36 pages, 8056 KB  
Review
Cistus ladanifer L.: Essential Oils, Volatiles, By-Products, and Their Biological Properties
by Custódia Gago, Boulanouar Bakchiche, Tahar Djekhioua and Maria da Graça Miguel
Molecules 2025, 30(22), 4425; https://doi.org/10.3390/molecules30224425 - 16 Nov 2025
Viewed by 401
Abstract
Cistus ladanifer L., commonly known as gum rockrose, is a Mediterranean shrub of growing interest due to its valuable essential oils (EOs) and labdanum resin. This review synthesizes current knowledge on the chemical composition and biological activities of EOs and hydrolates from C. [...] Read more.
Cistus ladanifer L., commonly known as gum rockrose, is a Mediterranean shrub of growing interest due to its valuable essential oils (EOs) and labdanum resin. This review synthesizes current knowledge on the chemical composition and biological activities of EOs and hydrolates from C. ladanifer across Mediterranean regions, with particular emphasis on Spain, Portugal, Morocco, and France. α-Pinene, viridiflorol, and camphene were found to be the major constituents in the EOs with antioxidant and antimicrobial properties. Additionally, the identified biological properties have prompted studies exploring innovative strategies such as nanoparticle encapsulation, the development of bioactive films, and the incorporation of EOs into food and pharmaceutical packaging. By-products from EO distillation, including lignocellulosic residues, the extraction of phenolic-rich compounds, and hydrolates, have shown potential for value-added applications. Altogether, C. ladanifer represents a versatile species with possible applications in cosmetics, pharmaceutical development, and the food industry. Full article
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Other

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31 pages, 3633 KB  
Systematic Review
Managing Vibrio parahaemolyticus and Vibrio alginolyticus Infections in the Whiteleg Shrimp (Penaeus vannamei): A Systematic Review
by Nicolás Renato Jara-Medina, Ariana Cecibel Cedeño-Pinargote, Andrea Beltrán-Noboa, Eduardo Tejera and António Machado
Molecules 2025, 30(17), 3620; https://doi.org/10.3390/molecules30173620 - 4 Sep 2025
Viewed by 3377
Abstract
Background: This systematic review aims to evaluate the effectiveness of various treatments and strategies for managing infections caused by Vibrio parahaemolyticus and Vibrio alginolyticus in whiteleg shrimp (Penaeus vannamei). Shrimp aquaculture faces significant challenges from these pathogens, resulting in substantial economic [...] Read more.
Background: This systematic review aims to evaluate the effectiveness of various treatments and strategies for managing infections caused by Vibrio parahaemolyticus and Vibrio alginolyticus in whiteleg shrimp (Penaeus vannamei). Shrimp aquaculture faces significant challenges from these pathogens, resulting in substantial economic losses. Vibrio species are known for their ability to form biofilms, enhancing their resistance to conventional treatments. Methods: The review follows the PRISMA guidelines, searching Scopus and PubMed databases for relevant studies on antibiotics and plant extracts used against these pathogens. Data were extracted and analysed to assess the effectiveness of different treatments, including antibiotics, plant extracts, and combined therapies. Results: The review found that while antibiotics remain widely used, the emergence of antibiotic-resistant strains necessitates alternative strategies. Plant extracts, rich in bioactive compounds such as flavonoids, showed promising antimicrobial activity. Combined therapies involving antibiotics and plant extracts were also explored for their potential to enhance treatment efficacy and reduce resistance. Conclusions: The findings underscore the importance of addressing biofilm formation in managing Vibrio-related infections and highlight the need for further research to develop sustainable and effective treatment protocols for shrimp aquaculture. Full article
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