Green extraction of bioactive compounds from Paederia scandens: An ionic liquid-based ultrasound-assisted matrix solid phase dispersion approach with computer-aided analysis.

An efficient and eco-friendly ionic liquid-based ultrasound-assisted matrix solid-phase dispersion method (IL-UAMSPD) has been developed for extracting and detecting bioactive compounds from Paederia scandens by ultra-high-performance liquid chromatography (UHPLC). Single-factor experiments were employed to determine the optimal extraction conditions. The results indicated that MCM-41 as the dispersant and 100 mM 1-dodecyl-3-methylimidazolium hydrogen sulfate as the eluent were optimized for the extraction of seven iridoid glycosides and chlorogenic acid. The total content of iridoid glycosides and chlorogenic acid reached 26.3 mg g-1 under the optimal extraction conditions, which was 4.70-fold higher than that obtained by the same UAMSPD procedure using ethanol as the extraction solvent. Furthermore, the intermolecular interaction mechanism between ionic liquids (ILs) and target compounds was elucidated at the molecular level through density functional theory (DFT), electrostatic potential (ESP) analysis, and the independent gradient model based on Hirshfeld partition (IGMH). The greenness and sustainability of the developed method were evaluated utilizing the Analytical Eco-Scale and the Green Analytical Procedure Index (GAPI). Finally, the proposed method was successfully applied to the determination of the target compounds content in different batches of Paederia scandens. The IL-UAMSPD method offers a potentially sustainable and efficient strategy for the extraction and quantification of bioactive constituents from Traditional Chinese medicines.