Minimization of the dosage of food preservatives mixing with ionic liquids for controlling risky effect in human body: Physicochemical, antimicrobial and computational study

Abstract

An analysis on the diverse molecular interactions of implausible food preservatives, Sodium benzoate (SBz), Sodium salicylate (Scyt) in the aqueous solutions of Benzyltriethylammoniun chloride (BTEACl), Benzyltrimethylammoniun chloride (BTMACl) having durable anti-bacterial effect have been explored thoroughly by various physicochemical methodologies such as Density, Refractive index, Viscosity, Electrical conductivity, at five different temperatures ranging from 298.15 K to 318.15 K. Anti-bacterial as well as the anti-fungal effects of the ternary mixtures, (BTEACl + SBz + H2O), (BTEACl + Scyt + H2O), (BTMACl + SBz + H2O) and (BTMACl + Scyt + H2O) were further analysed for better results and found to act synergistically below the MIC of both the food preservative, thus minimises the hazardous threat, caused by unnecessarily excessive consumption of food preservatives. Association constants governed by diverse intermolecular interactions in the solution phase were studied by UV–vis spectroscopy. Construction of thermodynamic background caused by innumerable interactions taking place in the ternary mixtures was explored by calculating the free energies of various molecular associations. The genesis of diverse interactions was exposed by measurement of the apparent molar volume (ϕv), limiting apparent molar volume (ϕv0), molar refraction (RM), limiting molar refraction (RM0) viscosity B coefficients and reveals as strong solute-solvent interaction, over the solute-solute and solvent-solvent interactions. Optimum energies with the optimised geometries of molecular assembly for (BTEACl + SBz), (BTEACl + Scyt), (BTMACl + SBz) and (BTMACl + Scyt) systems were calculated from Ab-initio quantum chemical calculations using Gaussian 09W quantum chemical package which found supportive to the practical outcomes.