Εξειδίκευση τύπου :	Άρθρο σε επιστημονικό περιοδικό
Τίτλος:	Prediction of Flavor Potential of Ocimum basilicum L. Side-Stream Phytoconstituents, Using Liquid Chromatography–Tandem Mass Spectrometry Analysis and In Silico Techniques
Δημιουργός/Συγγραφέας:	Kritsi, Eftichia Tsiaka, Thalia Boroboka, Anna Koletsou, Garyfallia Theofilatos, Spyridon Maggenaki, Artemis Christodoulou, Paris Ladika, Georgia Tsiantas, Konstantinos [EL] Σωτηρούδης, Γιώργος[EN] Sotiroudis, Georgios Sinanoglou, Vassilia J.
Ημερομηνία:	2024
Γλώσσα:	Αγγλικά
ISSN:	2297-8739
DOI:	10.3390/separations11090261
Περίληψη:	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.
Τίτλος πηγής δημοσίευσης:	Separations
Τόμος/Κεφάλαιο:	11
Τεύχος:	9
Θεματική Κατηγορία:	[EL] Φασματοσκοπία[EN] Spectroscopy [EL] Βιοτεχνολογία[EN] Biotechnology [EL] Φωτοχημεία[EN] Photochemistry [EL] Αναλυτική χημεία[EN] Analytical chemistry
Λέξεις-Κλειδιά:	Ocimum basilicum L. basil post-distillation side-streams phenolic fingerprint liquid chromatography–mass spectrometry (LC-MS) in silico techniques taste prediction TAS2R46 bitter receptor
Κάτοχος πνευματικών δικαιωμάτων:	© 2024 by the authors. Licensee MDPI, Basel, Switzerland.
Όροι και προϋποθέσεις δικαιωμάτων:	This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ 4.0/).
Ηλεκτρονική διεύθυνση στον εκδότη (link):	https://doi.org/10.3390/separations11090261
Εμφανίζεται στις συλλογές:	Ινστιτούτο Χημικής Βιολογίας - Επιστημονικό έργο