Development of green extractions of natural compounds is an ongoing challenge for researches. The aim of the study was to evaluate the extraction of bioactive compounds (BACs) from oregano combining an experimental procedure with a theoretical approach using two computational simulation methods, Hansen solubility parameters (HSP) and conductor-like screening model for real solvents (COSMO-RS) software. In this study, the high-voltage electrical discharge-plasma (HVED) was used as one of new promising green extraction techniques. Optimization of processing extraction parameters (argon and nitrogen for generation of plasma, voltage―15 kV, 20 kV, and/or 25 kV), frequency (100 Hz), pulse duration (400 ns), and treatment time (3 and 9 min) was done using software STATGRAPHICS. Oregano extracts were prepared by pharmacopoeia, 1 g per 50 mL of solvents (water or aqueous ethanol (25 and 50% v/v) treated by HVED. Extraction process was controlled by analytical methods (determination of total phenolic compounds (TPC); antioxidant properties by electronic paramagnetic resonance (EPR), 2,2-diphenyl-2-picrylhydrazyl (DPPH) free radical assay; near-infrared (NIR) spectroscopy; and ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) characterization of phenolic compounds, and changes during and after extraction process were investigated. Process follows six principles of green extractions. Theoretical results were in line with experimental for solvent selection; ethanol had higher potential of solubility of BACs than water. Results showed that HVED, as a green extraction method, confirmed high potential for extraction of BACs from oregano with increased yield of individual BACs and TPC in obtained extracts and increased antioxidant activity, compared with untreated samples.

天然化合物的绿色提取物的开发是研究的持续挑战。这项研究的目的是评估使用两种计算模拟方法，汉森溶解度参数（HSP）和类似导体的真实溶剂筛选模型（COSMO-）将实验程序与理论方法相结合，从牛至中提取生物活性化合物（BAC）。 RS）软件。在这项研究中，高压放电等离子体（HVED）被用作新兴的绿色提取技术之一。优化处理提取参数（用于生成等离子体的氩气和氮气，电压― 15 kV，20 kV和/或25 kV），频率（100 Hz），脉冲持续时间（400 ns）和处理时间（3分钟和9分钟） ）是使用STATGRAPHICS软件完成的。牛至提取物是通过药典制备的，