abstract
Soybeans' genistein and its isomer apigenin are widely studied bioactive compounds owing to their therapeutic potential for treating various health disfunctions. A green extraction of both from soy by-products could lead to a valuable and sustainable approach to adding value to these materials in a biorefinery context. Here Hansen Solubility Parameters (HSP) and the Conductor-like Screening MOdel for Real Solvents (COSMO-RS) were applied to screen green molecular sol-vents and Natural Eutectic Solvents for the extraction of genistein and apigenin from soy by-products. The predicted solubilities of genistein and apigenin in 18 shortlisted candidates were experimentally tested by dynamic maceration, the most industrially implemented natural prod-ucts extraction technique. EtOH:H2O (8:2, v/v) and natural eutectic solvent (NAES) betaine:eth-ylene glycol (1:2, mol/mol) showed the highest performance. These were selected for extraction optimizations by Design of Experiments from soy branches, the largest by-product by mass. The optimum condition of each solvent was applied to extract all other parts of soy collected post-mechanical harvesting. The highest value of apigenin, 591.49 +/- 26.7 mu g/g, was achieved from soy pods with EtOH:H2O (8:2, v/v), while the highest of genistein, 54.04 +/- 3.39 mu g/g, was achieved from soybeans using the same solvent. Our findings highlight the necessity of exercising caution when interpreting in silico outcomes in the context of metabolite extractions from com-plex matrices. A trade-off between in silico solvent screening and experimental work should be followed when developing new phytochemical extraction processes. Furthermore, soy by-products emerged as competitive candidates for a long-term source of the bioactive apigenin in a biorefinery context.
keywords
DEEP EUTECTIC SOLVENTS; COSMO-RS
subject category
Chemistry; Science & Technology - Other Topics; Environmental Sciences & Ecology
authors
Bragagnolo, FS; Wojeicchowski, JP; Soukup-Carne, D; González-Miquel, M; Esteban, J; Funari, CS
our authors
José Pedro Wojeicchowski
Junior Researcheracknowledgements
The authors would like to thank the Sao Paulo Research Foundation, FAPESP (grants no 2017/06216-6, 2018/01786-1 and 2014/50926-0) . F.S.B acknowledges FAPESP for scholarships (2018/21128-9) and the Coordenacao de Aperfeicoamento de Pessoal de Nivel Superior-Brasil-CAPES (Finance Code 001) . In addition, support from the SPRINT program jointly funded by FAPESP (2022/00645-0) and The University of Manchester is gratefully acknowledged. The University of Manchester is also thanked for funding a PhD scholarship for D.S.C. M.G-M acknowledges Comunidad Autonoma de Madrid (Spain) for funding under the Multiannual Agreement with Universidad Politecnica de Madrid in the line Excellence Programme for University Professors, in the context of the V PRICIT (Regional Programme of Research and Technological Innovation) .