In Situ Product Recovery of ß-Ionone from a Fermentation Broth: Computational Solvent Selection and Process Design of Its Extraction and Purification

Arroyo-Avirama, Andres F.; Carreno-Guzman, Sebastian; Lorenzo-Llanes, Junior; Gajardo-Parra, Nicolas F.; Santiago, Ruben; Held, Christoph; Palomar, Jose; Canales, Roberto I.

Abstract

Flavors and fragrances are important compounds used in the food, cosmetic, and pharmaceutical industries. They have an added value in the market when obtained through natural processes instead of synthetic routes. ss-Ionone raises special interest if produced through a biotechnological process with genetically modified Sacharomyces cerevisiae, which is considered a natural production alternative. The main problem is that ss ionone is toxic to S. cerevisiae when its concentration increases in the fermentation broth. However, an in situ liquid-liquid extraction can alleviate the toxicity problem by removing the solute when it is produced. Thus, a screening of 6012 solvents for liquid-liquid extraction was performed by predicting the partition coefficient of ss-ionone between an aqueous and an extracting organic phase using COSMO-RS. The best solvents for ss-ionone extraction were selected after evaluating several parameters like solvent-water mutual solubility, solute extraction capacity, boiling temperature, thermophysical properties, and life cycle assessment of the solvent. The process was simulated and optimized in Aspen Plus V10 where in situ extraction was considered as a liquid-liquid extraction unit and the purification as two distillation towers in series. Then, a multicriteria decision-making analytical hierarchy process was performed based on the screening and simulation results with a subsequent sensitivity analysis. Finally, extracting solvents selected with the previous methodology were 2-methyl-2-butanol, 2-methyl-3-butene-2-ol, methyl isobutyl ketone, 1-pentanol, 1-octanol, myrcene, and n-decane, which were compared with the performance of dodecane, the benchmark extracting solvent used in the literature. Branched alcohols appear as a promising family of compounds for extracting ss-ionone from aqueous phases.

Más información

Título según WOS: ID WOS:001011280000001 Not found in local WOS DB
Título de la Revista: ACS SUSTAINABLE CHEMISTRY & ENGINEERING
Volumen: 11
Número: 24
Editorial: AMER CHEMICAL SOC
Fecha de publicación: 2023
Página de inicio: 9065
Página final: 9076
DOI:

10.1021/acssuschemeng.3c01739

Notas: ISI