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Essential Oils: Chemical Characterization, Bioactivity and Innovative Applications

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

Deadline for manuscript submissions: 31 January 2027 | Viewed by 463

Editors


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Guest Editor
Faculty of Agriculture, University of Life Sciences “King Michael I” from Timisoara, Calea Aradului 119, 300645 Timisoara, Romania
Interests: essential oils; phytochemistry; GC–MS analysis; antimicrobial activity; antibiofilm activity; antifungal activity; natural bioactive compounds; food preservation; molecular docking; ADME analysis; medicinal and aromatic plants; functional foods; nanocarriers and encapsulation systems
Special Issues, Collections and Topics in MDPI journals

E-Mail Website
Guest Editor
Faculty of Agriculture, University of Life Sciences “King Michael I” from Timisoara, Calea Aradului 119, 300645 Timisoara, Romania
Interests: sustainable agriculture; medicinal and aromatic plants; essential oils; phytochemistry; plant bioactive compounds; agricultural biotechnology; plant protection; biopesticides; sustainable crop production; green extraction technologies; functional foods; food safety; antioxidant activity; antimicrobial activity; environmental protection; plant-derived natural compounds; agricultural applications of bioactive compounds; soil–plant interactions; sustainable agricultural systems
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Essential oils continue to attract significant scientific interest due to their complex chemical composition and broad spectrum of biological activities. Recent advances in analytical chemistry, biotechnology, microbiology, pharmaceutical sciences, and green extraction technologies have considerably expanded our understanding of the mechanisms underlying the bioactivity of essential oils and their potential applications in agriculture, medicine, food industry, cosmetics, and environmental protection. In particular, innovative extraction methods such as supercritical fluid extraction, microwave-assisted extraction, ultrasound-assisted extraction, and other sustainable technologies have improved the efficiency, selectivity, and quality of essential oil recovery while supporting environmentally friendly production processes.

This Special Issue aims to highlight the recent progress related to the characterization, biological evaluation, advanced extraction methods, and innovative applications of essential oils and their related natural volatile compounds. The topics of interest include, but are not limited to, phytochemical profiling, antimicrobial and antibiofilm activity, antioxidant and anti-inflammatory effects, synergistic interactions, nanoencapsulation strategies, molecular docking studies, food preservation and functional foods, sustainable agricultural applications including biopesticides and plant protection, pharmaceutical and medical applications, safety assessment, and novel delivery systems for bioactive compounds.

Special attention will be given to innovative approaches that support the use of essential oils as natural alternatives in modern agriculture, medicine, and the food industry, contributing to sustainable development, improved human health, and safer food systems.

Both original research articles and high-quality review papers are welcome. Through this Special Issue, we aim to provide an interdisciplinary platform that brings together researchers working on the chemistry, functionality, technological advances, and practical applications of essential oils.

Dr. Diana Obistioiu
Dr. Florin Imbrea
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-anonymized 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

  • essential oils
  • phytochemistry
  • green extraction technologies
  • bioactivity
  • antimicrobial activity
  • antibiofilm activity
  • antimicrobial resistance
  • antioxidant activity
  • nanoencapsulation
  • molecular docking
  • therapeutic potential
  • alternative medicine
  • functional foods
  • food preservation
  • biopesticides
  • sustainable agriculture
  • natural bioactive compounds
  • novel delivery systems

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Published Papers (2 papers)

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Research

20 pages, 994 KB  
Article
Essential Oil Derived from Horticultural By-Products of Artemisa dracunculus L.: A Sustainable Source of Bioactive Compounds with Multiple Biological Activities
by Flavio Polito, Vincenzo Candido, Giovanna Potenza, Filomena Nazzaro, Florinda Fratianni, Francesca Coppola, Vincenzo De Feo and Donato Castronuovo
Molecules 2026, 31(15), 2583; https://doi.org/10.3390/molecules31152583 - 24 Jul 2026
Abstract
Agricultural and horticultural by-products represent an underexploited source of valuable bioactive compounds that can contribute to the development of more sustainable production systems. This study investigated the chemical composition and biological activities of the essential oil obtained from the horticultural byproducts of Artemisia [...] Read more.
Agricultural and horticultural by-products represent an underexploited source of valuable bioactive compounds that can contribute to the development of more sustainable production systems. This study investigated the chemical composition and biological activities of the essential oil obtained from the horticultural byproducts of Artemisia dracunculus. The waste aerial biomass was subjected to steam distillation, and the essential oil was characterized by gas chromatography–mass spectrometry. Its antioxidant, α-amylase and α-glucosidase inhibitory, phytotoxic, antibacterial, and antibiofilm activities were subsequently evaluated. The essential oil was characterized as an estragole-rich chemotype (70.17%), with trans-β-ocimene and cis-β-ocimene as other main constituents. The essential oil showed moderate antioxidant activity and measurable enzyme inhibitory activity and, despite showing limited effects on seed germination, it significantly inhibited radical elongation in selected plant species. Furthermore, it demonstrated excellent antibiofilm activity, significantly reducing the metabolic activity of mature cells of bacteria associated with biofilm formation: Listeria monocytogenes, Pseudomonas aeruginosa, Escherichia coli, Acinetobacter baumannii, Klebsiella pneumoniae and Staphylococcus aureus. The results demonstrate how horticultural by-products from A. dracunculus maintain a chemical profile comparable to conventional plant material and represent a valuable source of bioactive compounds with promising potential for sustainable agri-food applications. Full article
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17 pages, 2364 KB  
Article
Chemical Characterization and Anti-Inflammatory Activity of Eugenia involucrata Essential Oil: Evidence from In Vitro and In Vivo Experimental Models
by Kaique Gonçalves de Souza, Larissa Saviani Ribeiro, Vitor Guimarães Lourenço, Kevin Costa Miranda, Francisco Paiva Machado, Mariana Toledo Martins Pereira, Leandro Rocha, Vinicius D’Avila Bitencourt Pascoal and Aislan Cristina Rheder Fagundes Pascoal
Molecules 2026, 31(14), 2477; https://doi.org/10.3390/molecules31142477 - 15 Jul 2026
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Abstract
Background: Eugenia involucrata DC. is a Brazilian native species of the Myrtaceae family traditionally used in folk medicine and known for its antimicrobial, antifungal, and antioxidant properties. However, its anti-inflammatory potential remains poorly investigated. Methods: This study characterized the essential oil from E. [...] Read more.
Background: Eugenia involucrata DC. is a Brazilian native species of the Myrtaceae family traditionally used in folk medicine and known for its antimicrobial, antifungal, and antioxidant properties. However, its anti-inflammatory potential remains poorly investigated. Methods: This study characterized the essential oil from E. involucrata leaves and evaluated its anti-inflammatory activity using in vitro and in vivo models. The chemical composition was determined by gas chromatography–mass spectrometry (GC–MS). Anti-inflammatory activity was assessed in LPS-stimulated RAW 264.7 macrophages and in murine paw edema models induced by carrageenan, compound 48/80, bradykinin, and prostaglandin E2. Results: GC–MS analysis identified 23 compounds, representing 91.41% of the oil composition, with predominance of oxygenated sesquiterpenes. The major constituents were globulol (15.71%), α-selinene (13.14%), selin-11-en-4-α-ol (8.31%), cubeban-11-ol (8.04%), and β-elemene (6.78%). The essential oil showed no significant cytotoxicity below 100 micrograms/mL toward RAW 264.7 macrophages and significantly reduced LPS-induced TNF-α and IL-1β gene expression. In vivo, it markedly inhibited paw edema induced by carrageenan, compound 48/80, and bradykinin, but not by prostaglandin E2. Conclusions: These findings demonstrate that E. involucrata essential oil possesses significant anti-inflammatory and anti-edematogenic activity, likely through modulation of early inflammatory mediators involved in acute inflammation. Full article
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