Supercritical Antisolvent Fractionation of Antioxidant Compounds from Salvia officinalis

• Published in: International journal of molecular sciences 2021-08, Vol.22 (17), p.9351
• Main Authors: Mur, Raquel, Pardo, Juan I, Pino-Otín, M Rosa, Urieta, José S, Mainar, Ana M
• Format: Article
• Language: English
• Subjects: Antioxidants; Antioxidants - analysis; Antioxidants - chemistry; Antioxidants - isolation & purification; Caffeic acid; Caffeic Acids - chemistry; Carbon dioxide; Chemical Fractionation - methods; Chlorogenic acid; Chlorogenic Acid - chemistry; Chromatography, High Pressure Liquid; Chromatography, Supercritical Fluid - methods; Cinnamates - chemistry; Depsides - chemistry; Flow velocity; Fractionation; High-performance liquid chromatography; Molecular Conformation; Molecular structure; Oils & fats; Pharmaceutical industry; Plant Extracts - analysis; Plant Extracts - chemistry; Plant Extracts - isolation & purification; Pressure effects; Quantitative Structure-Activity Relationship; Response surface methodology; Rosmarinic Acid; Salvia officinalis; Salvia officinalis - chemistry; Separation; Skin; Solvents; Structure-activity relationships; Sustainable development
• ISSN: 1422-0067; 1661-6596; 1422-0067
• DOI: 10.3390/ijms22179351

The increasing interest towards greener antioxidants obtained via natural sources and more sustainable processes encourages the development of new theoretical and experimental methods in the field of those compounds. Two advanced separation methods using supercritical CO are applied to obtain valuable antioxidants from , and a first approximation to a QSAR model relating molecular structure with antioxidant activity is explored in order to be used, in the future, as a guide for the preselection of compounds of interest in these processes. Separation experiments through antisolvent fractionation with supercritical CO were designed using a Response Surface Methodology to study the effect of pressure and CO flow rate on both mass yields and capability to obtain fractions enriched in three antioxidant compounds: chlorogenic acid, caffeic acid and rosmarinic acid which were tracked using HPLC PDA. Rosmarinic acid was completely retained in the precipitation vessel while chlorogenic and caffeic acids, though distributed between the two separated fractions, had a major presence in the precipitation vessel too. The conditions predicted for an optimal overall yield and enrichment were 148 bar and 10 g/min. Although a training dataset including much more compounds than those now considered can be recommended, descriptors calculated from the σ-profiles provided by COSMO-RS model seem to be adequate for estimating the antioxidant activity of pure compounds through QSAR.