Natural deep eutectic solvent-based extraction of 3-deoxyanthocyanidins from sorghum bran: COSMO-RS screening,...

Area of Science:

• Green Chemistry
• Natural Product Extraction
• Biochemistry

Background:

• 3-deoxyanthocyanidins (3-DOA) are valuable plant pigments with antioxidant properties.
• Traditional extraction methods often lack efficiency and environmental sustainability.
• Sorghum bran is a rich source of 3-DOA, but requires effective extraction techniques.

Purpose of the Study:

• To develop a green and efficient extraction method for 3-DOA from sorghum bran.
• To identify and quantify 3-DOA using advanced analytical techniques.
• To investigate the mechanism behind the enhanced extraction efficiency.

Main Methods:

• Screening of natural deep eutectic solvents (DES), including choline chloride-propionic acid (ChPA).
• Optimization of extraction parameters (solvent composition, temperature, time, liquid/solid ratio).
• Identification and quantification of 3-DOA using HPLC-QTOF-MS/MS.
• In vitro antioxidant activity assays.
• Exploration of extraction mechanisms via cell wall disruption analysis and molecular dynamics simulations.

Main Results:

• Choline chloride-propionic acid (ChPA) at a 1:2 molar ratio was identified as the optimal DES.
• Optimal extraction conditions yielded 0.86 ± 0.01 mg/g of apigeninidin.
• Four types of 3-DOA were identified, with apigeninidin being the most abundant.
• ChPA extracts showed higher 3-DOA content and superior in vitro antioxidant activity compared to conventional solvents.
• ChPA promoted significant cell wall disruption and demonstrated strong intermolecular interactions facilitating 3-DOA release.

Conclusions:

• The developed ChPA-based DES extraction method is green, efficient, and superior for isolating 3-DOA from sorghum bran.
• The enhanced extraction is attributed to ChPA's ability to disrupt the cell wall and favorable intermolecular interactions.
• This study provides a sustainable and effective approach for obtaining bioactive 3-DOA with potential applications in food and health industries.