The Potential of High Voltage Discharges for Green Solvent Extraction of Bioactive Compounds and Aromas from Rosemary ( Rosmarinus officinalis L.)-Computational Simulation and Experimental Methods

• Published in: Molecules (Basel, Switzerland) Vol. 25; no. 16; p. 3711
• Main Authors: Nutrizio, Marinela, Gajdoš Kljusurić, Jasenka, Marijanović, Zvonimir, Dubrović, Igor, Viskić, Marko, Mikolaj, Elena, Chemat, Farid, Režek Jambrak, Anet
• Format: Journal Article
• Language: English
• Published: Switzerland MDPI AG 14-08-2020; MDPI
• Subjects: Acids; Antioxidants; Aromatic compounds; Bioactive compounds; Biochemistry; Biochemistry, Molecular Biology; Biological activity; Chemical and Process Engineering; Chemical Fractionation; Chromatography; Civil Engineering; Computer applications; Computer simulation; Conductors; COSMO–RS; Eco-conception; Electricity; Engineering Sciences; Ethanol; Experimental methods; food aromas; Food engineering; Free radicals; Hansen solubility parameters; High voltage; high voltage electrical discharge; High voltages; Life Sciences; Mass spectrometry; Metals; Methods; Models, Theoretical; Nitrogen; Odorants - analysis; Oils & fats; Pesticides; Phenols; Plant Extracts - analysis; Plant Extracts - isolation & purification; Principal components analysis; Pulse duration; Research methodology; Rosemary; Rosmarinus - chemistry; Rosmarinus officinalis; Scientific imaging; Simulation; Solubility; Solubility parameters; Solvent extraction; Solvent extraction processes; Solvents; Solvents - chemistry; Ultrasonic imaging; Voltage; Hansen solubility parameters; food aromas; rosemary; bioactive compounds; extractions; high voltage electrical discharge; COSMO–RS; COSMO-RS
• ISSN: 1420-3049; 1420-3049
• DOI: 10.3390/molecules25163711

Rosemary (
L.) is a Mediterranean medicinal and aromatic plant widely used due to valuable bioactive compounds (BACs) and aromas. The aim of the study was to evaluate the extraction of intracellular compounds from rosemary combining experimental procedure by means of high voltage electrical discharge (HVED), with a theoretical approach using two computational simulation methods: conductor-like screening model for real solvents and Hansen solubility parameters. The optimal HVED parameters were as follows: frequency 100 Hz, pulse width 400 ns, gap between electrodes 15 mm, liquid to solid ratio 50 mL/g, voltage 15 and 20 kV for argon, and 20 and 25 kV for nitrogen gas. Green solvents were used, water and ethanol (25% and 50%). The comparison was done with modified conventional extraction (CE) extracted by magnetic stirring and physicochemical analyses of obtained extracts were done. Results showed that HVED extracts in average 2.13-times higher total phenol content compared to CE. Furthermore, nitrogen, longer treatment time and higher voltage enhanced higher yields in HVED extraction. HVED was confirmed to have a high potential for extraction of BACs from rosemary. The computational stimulation methods were confirmed by experimental study, ethanol had higher potential of solubility of BACs and aromas from rosemary compared to water.