Prediction of Flavor Potential of Ocimum basilicum L. Side-Stream Phytoconstituents, Using Liquid Chromatography–Tandem Mass Spectrometry Analysis and In Silico Techniques

Prediction of Flavor Potential of Ocimum basilicum L. Side-Stream Phytoconstituents, Using Liquid Chromatography–Tandem Mass Spectrometry Analysis and In Silico Techniques

Although post-distillation side-streams of basil (Ocimum basilicum L.) pose significant economic and environmental challenges, they also bring forth new opportunities in the flavor industry. Thus, the objective of the current study was to assess the phenolic profile of basil side-stream extracts to...

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Bibliographic Details
Published in:Separations Vol. 11; no. 9; p. 261
Main Authors: Kritsi, Eftichia, Tsiaka, Thalia, Boroboka, Anna, Koletsou, Garyfallia, Theofilatos, Spyridon, Maggenaki, Artemis, Christodoulou, Paris, Ladika, Georgia, Tsiantas, Konstantinos, Sotiroudis, Georgios, Sinanoglou, Vassilia J
Format: Journal Article
Language:English
Published: Basel MDPI AG 01-09-2024
Subjects:
basil
Bitterness
Bonding strength
Chemical bonds
Chromatography
Flavonoids
Flavors
Food products
Hydrogen
Hydrogen bonds
in silico techniques
International economic relations
Liquid chromatography
liquid chromatography–mass spectrometry (LC-MS)
Mass spectrometry
Methods
Molecular docking
Ocimum basilicum L
Oils & fats
Phenolic acids
phenolic fingerprint
Phytochemicals
post-distillation side-streams
Product development
Scientific imaging
Solvents
Spice industry
Streams
Strychnine
Taste
Technology application
Waste management
Greece
Massachusetts
United States > US
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Summary:Although post-distillation side-streams of basil (Ocimum basilicum L.) pose significant economic and environmental challenges, they also bring forth new opportunities in the flavor industry. Thus, the objective of the current study was to assess the phenolic profile of basil side-stream extracts to identify key compounds and to evaluate their taste properties, using liquid chromatography–tandem mass spectrometry (LC-MS/MS) analysis, flavor prediction tools and molecular docking. In particular, 52 phytoconstituents, mainly phenolic acids, salvianolic acids, flavonoids and fatty acids derivatives, were elucidated in the side-streams of two different basil varieties (Minimum and Genovese) harvested and distilled in early and late autumn, highlighting the effect of pre-harvest factors on basil’s phenolic fingerprint. Furthermore, the results of tests undertaken using taste prediction tools showed that most of the identified compounds were very likely to taste bitter, while six of them (caffeoylferuloyltartaric acid, isoquercetin, lithospermic acid A, sagerinic acid, salvianolic acids C and F) presented a high bitterant capacity (70–90%). Moreover, according to molecular docking studies, these compounds exhibited a stronger binding affinity to the hTAS2R46 bitter receptor compared to its known agonist, strychnine. This outcome and consequently their bitterness were mainly attributed to interactions with Glu265, Thr180 and/or Trp88 through the formation of direct hydrogen bonds. Therefore, the present results provide insights into the taste profiles of basil side-streams, leading to more sustainable and innovative uses of aromatic herbs residues.
ISSN:2297-8739
2297-8739
DOI:10.3390/separations11090261