(191i) Influence of Chemical Structure of Compounds Present in Essential Oils on Their Antimicrobial Activity
AIChE Annual Meeting
2018
2018 AIChE Annual Meeting
Food, Pharmaceutical & Bioengineering Division
Poster Session: Food and Bioprocess Engineering
Monday, October 29, 2018 - 3:30pm to 5:00pm
The objective of this work was to evaluate the possible correlations between the antimicrobial effects of selected EOs with their physicochemical properties. A database of the antimicrobial effects of pure compounds present in EOs, EOs' composition and their minimum inhibitory concentrations against several bacteria (Gram positive or negative), was collected from selected reports. Some physicochemical properties, such as viscosity, vapor pressure, diffusivity in water, and partition coefficients, among others, were estimated by group contribution methods from the molecular structure of the pure components present in studied EOs. Every property estimation was developed by means of the ASPEN PLUS process simulator using the Joback-Reid and Marrero-Gani methods; furthermore, selected mixture properties were also estimated trough the UNIFAC method, taking into account the compounds present in every studied EO. Results were evaluated using the principal components analysis method, indicating the existence of relationships between the physicochemical properties and the EOs' antimicrobial effect on Gram positive or negative bacteria. The obtained results will contribute to the suitable design of food additives in the form of optimal antimicrobial agents from essential oils.