Quantitative characterizations of mOR-EG activated by vanilla odorants using advanced statistical physics modeling

Ismahene Ben Khemis; Fatma Aouaini; Lamies Bukhari; Samia Nasr; Abdelmottaleb Ben Lamine

doi:10.1016/j.foodchem.2023.135782

Quantitative characterizations of mOR-EG activated by vanilla odorants using advanced statistical physics modeling

Food Chem. 2023 Jul 30:415:135782. doi: 10.1016/j.foodchem.2023.135782. Epub 2023 Feb 24.

Authors

Ismahene Ben Khemis¹, Fatma Aouaini², Lamies Bukhari², Samia Nasr³, Abdelmottaleb Ben Lamine⁴

Affiliations

¹ Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019 Monastir, Tunisia. Electronic address: ismaheneph@gmail.com.
² Department of Physics, College of Science, Princess Nourah Bint Abdulrahman University, P.O. Box 84428, Riyadh 11671, Saudi Arabia.
³ Chemistry Department, Faculty of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia.
⁴ Laboratory of Quantum and Statistical Physics LR 18 ES 18, Faculty of Sciences of Monastir, Environnement Street, 5019 Monastir, Tunisia.

PMID: 36868068
DOI: 10.1016/j.foodchem.2023.135782

Abstract

An advanced monolayer adsorption model of an ideal gas was successfully employed to investigate the adsorption of vanillin, vanillin methyl ether, vanillin ethyl ether, and vanillin acetate odorants on mouse eugenol olfactory receptor mOR-EG. In order to understand the adsorption process putatively introduced in olfactory perception, model parameters were analyzed. Hence, fitting results showed that the studied vanilla odorants were linked in mOR-EG binding pockets with a non-parallel orientation, and their adsorption was a multi-molecular process (n > 1). The adsorption energy values that ranged from 14.021 to 19.193 kJ/mol suggested that the four vanilla odorants were physisorbed on mOR-EG (ΔE^a < 40 kJ/mol) and the adsorption mechanism may be considered as an exothermic mechanism (ΔE^a > 0). The estimated parameters may also be utilized for the quantitative characterization of the interactions of the studied odorants with mOR-EG to determine the corresponding olfactory bands ranging from 8 to 24.5 kJ/mol.

Keywords: Adsorption energy band; Grand canonical ensemble; Monolayer adsorption model of ideal gas; Monolayer adsorption model of real gas; Olfactory band; Statistical physics.

MeSH terms

Animals
Benzaldehydes
Mice
Odorants*
Physics
Vanilla* / chemistry

Substances

vanillin
Benzaldehydes