Solubility of Nutraceutical Compounds in Generally Recognized as Safe Solvents at 298 K

Abstract

The solubility of two model nutraceuticals, quercetin and sclareol, were measured in organic solvents at 298 K by UV-Vis spectrophotometry and gas chromatography, respectively. Thermodynamic models for solid-liquid phase equilibria are used to correlate and predict the solubility of quercetin and sclareol in organic solvents which are Generally Recognized as Safe by the United States Food and Drug Administration. For both quercetin and sclareol, the NRTL-SAC model satisfactorily correlates the experimental data while the COSMO-SAC solubility prediction results are off by more than one natural logarithm of mole fraction of the experimental data.

Comparison of two computational methods for solvent screening in countercurrent and centrifugal partition chromatography

“…The NRTL-SAC segment descriptors obtained in this work are considerably different from the values reported in previous works for ferulic acid [47] , hesperetin [37] and quercetin [49] , which were fitted using mostly solubility data in water and in pure organic polar solvents. From our experience [ 36 , 45 , 47 ], the robustness of the model descriptors is associated with the chemical diversity of solvent systems used in the correlation step, and differences in the fitted parameters were expected since partition coefficients in less polar biphasic solvent systems (e.g., heptane/methanol) were included in the data set.…”

“…Briefly, the model proposes four conceptual segment descriptors to describe each molecule: X (hydrophobicity), Y -(polar repulsive), Y + (polar attractive) and Z (hydrophilicity). These parameters have already been reported for all the solvents studied in this work, with the exception of limonene, [ 21 , 4 8 , 4 9 ] and the solutes ferulic acid [47] , quercetin [49] and hesperetin [37] .…”

Recovery of polyphenols from distillery stillage by microwave-assisted, ultrasound-assisted and conventional solid–liquid extraction

“…Taking into account the economic aspects of using solvents to valorize the stillage, the production costs of solvents that were used in the present study are quite low because the boiling points of ethanol (78.4 °C) and methanol (64.7 °C) allow them to evaporate quickly, which shortens the processing time. Additionally, ethanol, which gave higher extraction yields than methanol in the present study, has been recognized as GRAS (Generally Recognized As Safe) solvent, hence its extracts can find applications in the production of functional foods, dietary supplements, animal feed, or cosmetics 59 . In the present study, the use of 80% solution of ethanol allowed the highest recovering of compounds with antioxidant activity, which, when compared with the use of pure ethanol, increased the economic viability of the obtained extracts.…”

Identification of Anthocyanins and Optimization of Their Extraction from Rabbiteye Blueberry Fruits in Nanjing

“…e extraction yield of anthocyanins reached the highest at 5.187 ± 0.845 mg/g when the amount of HCl was 0.02% (v/v). Ethanol is preferably used in food, cosmetic, and pharmaceutical industries after classified with the GRAS (Generally Recognized as Safe) status by the US FDA [12]. An increase of ethanol concentration decreased the polarity difference between anthocyanins and solvent and then induced the reduction of other water-soluble constituents, such as polysaccharide and pectin, which prevented the dissolution of anthocyanins [9].…”