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Peer-reviewedCC BY 4.0Molecules

Solvent-Dependent Selective Retention of Essential-Oil Markers and Modification of the Thymol-Type Chemical Fingerprint in Post-Extraction Thymus vulgaris L. Biomass

  • Radosław Kowalski1
  • Klaudia Kałwa2
  • Artur Mazurek1
  • Grażyna Kowalska3
  1. 1Department of Analysis and Evaluation of Food Quality, University of Life Sciences in Lublin, 20-704 Lublin, Poland
  2. 2Department of Dietetics, Institute of Human Nutrition and Agriculture Sciences, The State University of Applied Sciences in Chełm, 22-100 Chełm, Poland
  3. 3Department of Tourism and Recreation, University of Life Sciences in Lublin, 20-950 Lublin, Poland
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Abstract

This study evaluated whether short-term extraction of Thymus vulgaris L. with solvents of different polarity selectively modifies the essential-oil (EO) fingerprint of post-extraction biomass. The initial material contained 1.85% v/w EO, dominated by thymol (53.65%), p-cymene (21.53%), and γ-terpinene (5.28%). Water, 65% glycerol–water, rapeseed oil, and 50% ethanol–water were compared under different time and temperature conditions. Selective retention of six markers was assessed using an apparent marker retention index (AMRI), combining residual EO content with relative GC-FID composition, together with SEF, thymol-profile ratios, and CLR-PCA. Under solvent-specific reference conditions, thymol AMRI was 59.2% for water, 39.3% for glycerol, 18.4% for oil, and 27.2% for ethanol. The strongest relative enrichment occurred for (E)-caryophyllene after glycerol extraction (AMRI 149.8%; SEF 3.26). CLR-PCA explained 90.2% of compositional variability in the first two components and revealed solvent-dependent reorganization of the marker profile. Water and nanowater produced the highest integrated polar-functional response based on TPC, TFC, and DPPH. These results show that extraction can selectively modify the chemical fingerprint of the residual volatile fraction without implying a change in the biologically determined chemotype, supporting targeted fractionation and sequential use of post-extraction thyme biomass.

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Cite

BibTeXRIS
BibTeX
@article{kowalski2026solventdependent,
  title = {{Solvent-Dependent Selective Retention of Essential-Oil Markers and Modification of the Thymol-Type Chemical Fingerprint in Post-Extraction Thymus vulgaris L. Biomass}},
  author = {Radosław Kowalski and Klaudia Kałwa and Artur Mazurek and Grażyna Kowalska},
  journal = {Molecules},
  year = {2026},
  month = oct,
  doi = {10.3390/molecules31213796},
  url = {https://www.mdpi.com/1420-3049/31/21/3796},
  note = {CC BY 4.0},
}
RIS
TY  - JOUR
TI  - Solvent-Dependent Selective Retention of Essential-Oil Markers and Modification of the Thymol-Type Chemical Fingerprint in Post-Extraction Thymus vulgaris L. Biomass
AU  - Radosław Kowalski
AU  - Klaudia Kałwa
AU  - Artur Mazurek
AU  - Grażyna Kowalska
PY  - 2026
DA  - 2026/10/22
JO  - Molecules
DO  - 10.3390/molecules31213796
UR  - https://www.mdpi.com/1420-3049/31/21/3796
AB  - This study evaluated whether short-term extraction of Thymus vulgaris L. with solvents of different polarity selectively modifies the essential-oil (EO) fingerprint of post-extraction biomass. The initial material contained 1.85% v/w EO, dominated by thymol (53.65%), p-cymene (21.53%), and γ-terpinene (5.28%). Water, 65% glycerol–water, rapeseed oil, and 50% ethanol–water were compared under different time and temperature conditions. Selective retention of six markers was assessed using an apparent marker retention index (AMRI), combining residual EO content with relative GC-FID composition, together with SEF, thymol-profile ratios, and CLR-PCA. Under solvent-specific reference conditions, thymol AMRI was 59.2% for water, 39.3% for glycerol, 18.4% for oil, and 27.2% for ethanol. The strongest relative enrichment occurred for (E)-caryophyllene after glycerol extraction (AMRI 149.8%; SEF 3.26). CLR-PCA explained 90.2% of compositional variability in the first two components and revealed solvent-dependent reorganization of the marker profile. Water and nanowater produced the highest integrated polar-functional response based on TPC, TFC, and DPPH. These results show that extraction can selectively modify the chemical fingerprint of the residual volatile fraction without implying a change in the biologically determined chemotype, supporting targeted fractionation and sequential use of post-extraction thyme biomass.
SN  - 1420-3049
ER  -