Supercritical antisolvent fractionation of antioxidant compounds from salvia officinalis

Autor: José S. Urieta, M. Rosa Pino-Otín, Ana M. Mainar, Raquel Mur, Juan I. Pardo
Jazyk: angličtina
Rok vydání: 2021
Předmět:
supercritical antisolvent fractionation
Antioxidant
Advanced separation processes
medicine.medical_treatment
Molecular Conformation
antioxidant activity
Quantitative Structure-Activity Relationship
Chemical Fractionation
Antioxidants
Supercritical antisolvent fractionation
chemistry.chemical_compound
Caffeic acid
Biology (General)
Spectroscopy
Chromatography
High Pressure Liquid
advanced separation processes
Chemistry
QSAR
Rosmarinic acid
Salvia officinalis
Chromatography
Supercritical Fluid
Chlorogenic acid
General Medicine
Computer Science Applications
rosmarinic acid
QH301-705.5
chlorogenic acid
Fractionation
Depsides
Catalysis
Article
Inorganic Chemistry
food
Caffeic Acids
Antioxidant activity
medicine
Response surface methodology
Physical and Theoretical Chemistry
Molecular Biology
QD1-999
Chromatography
Plant Extracts
Organic Chemistry
food.food
Supercritical fluid
Cinnamates
caffeic acid
Zdroj: International Journal of Molecular Sciences
International Journal of Molecular Sciences, Vol 22, Iss 9351, p 9351 (2021)
Zaguán. Repositorio Digital de la Universidad de Zaragoza
instname
Volume 22
Issue 17
R-USJ: Repositorio Institucional de la Universidad San Jorge
Universidad San Jorge (USJ)
Popis: 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 CO2 are applied to obtain valuable antioxidants from Salvia officinalis, 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 CO2 were designed using a Response Surface Methodology to study the effect of pressure and CO2 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.
Databáze: OpenAIRE
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