Essential Oil Composition and Analysis in Plant Sciences

Essential oils are complex, multicomponent mixtures of volatile organic compounds extracted from plant tissues, primarily composed of terpenes, oxygenated terpenoids and phenolic compounds. They serve ecological functions such as defence against pests and pathogens and attractants for pollinators, while their aromatic and bioactive properties have found wide applications in pharmaceuticals, nutraceuticals, food preservation, cosmetics and aromatherapy. Analytical characterisation typically employs extraction methods—hydrodistillation, steam distillation, solvent extraction or supercritical CO₂—followed by separation and identification using techniques such as gas chromatography–mass spectrometry (GC–MS), headspace solid-phase microextraction (HS-SPME) and nuclear magnetic resonance (NMR). Advances in chemometric and machine-learning approaches enable the deconvolution of complex profiles and the establishment of quantitative composition–activity relationships, facilitating standardisation and the prediction of biological efficacy. Recent developments have emphasised green extraction media, stabilisation strategies and the integration of in vitro and in vivo assays to assess antioxidant, antimicrobial, anti-biofilm and insecticidal activities. This interdisciplinary research underpins global efforts to harness plant secondary metabolites for sustainable agriculture, human health and industrial innovation.

Research from Nature Portfolio

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Research from all publishers

1. A comprehensive screening of 61 commercial essential oils assessed antioxidant capacity via DPPH, ABTS and metal-chelating assays and antigenotoxic potential in vitro. In vivo studies demonstrated protection of DNA from peroxyl and hydroxyl radical damage. Machine-learning classifiers generated quantitative composition–activity models, pinpointing constituents such as limonene, linalool, carvacrol and eucalyptol as primary determinants of redox potency.

2. An integrated green-chemistry approach combined supercritical CO₂ extraction with natural deep eutectic solvents (NADES) to recover and stabilise rosemary volatile fractions rich in monoterpenes (68–88 %) and sesquiterpenes (5–21 %). Over six months at ambient temperature, eutectic formulations prevented acetic acid accumulation and preserved antioxidant activity, demonstrating a solvent-based strategy for extended shelf-life of plant volatiles.

3. Chemical and bioactivity profiling of Salvia sclarea essential oil by GC and GC–MS revealed a chemotype dominated by linalyl acetate (≈49 %) and linalool (≈21 %). Antioxidant assays indicated modest radical-scavenging capacity, while antimicrobial tests—including vapour-phase applications—showed enhanced inhibition of bacterial growth and biofilm formation. The results highlight potential roles in food preservation and control of microbial contamination.

Essential Oil Composition and Analysis in Plant Sciences publication trend

The graph below shows the total number of articles in essential oil composition and analysis in plant sciences across all publications each year (not limited to Nature Index journals).

Technical terms

Terpenes: Volatile hydrocarbon compounds built from isoprene units, responsible for the primary aromatic profile and many bioactivities of essential oils.

Gas chromatography–mass spectrometry (GC–MS): A combined separation and detection platform that resolves complex volatile mixtures and identifies individual constituents based on mass spectra.

Natural deep eutectic solvents (NADES): Low-toxicity solvent systems formed by mixing natural compounds, used for efficient extraction and stabilisation of bioactive plant volatiles.

Quantitative composition–activity relationship (QCAR): A modelling framework correlating chemical composition data with measured biological activities to predict efficacy and guide formulation.

Supercritical CO₂ extraction: A green extraction technique utilising carbon dioxide above its critical temperature and pressure to selectively solubilise plant volatiles without organic solvents.

References

1. In Vitro Antioxidant and In Vivo Antigenotoxic Features of a Series of 61 Essential Oils and Quantitative Composition–Activity Relationships Modeled through Machine Learning Algorithms. Antioxidants (2023).
2. Novel Insights Into the Recovery and Stabilization of Rosmarinus officinalis Volatile Aroma Compounds Using Green Solvents. Food and Bioprocess Technology (2023).
3. Salvia sclarea Essential Oil Chemical Composition and Biological Activities. International Journal of Molecular Sciences (2023).
4. Essential Oils as Multicomponent Mixtures and Their Potential for Human Health and Well-Being. Frontiers in Pharmacology (2022).