High Voltage Electrical Discharges as an Alternative Extraction Process of Phenolic and Volatile Compounds from Wild Thyme (Thymus serpyllum L.): In Silico and Experimental Approaches for Solubility Assessment

The objective of this study was to evaluate the potential of green solvents for extractions of bioactive compounds (BACs) and essential oils from wild thyme (Thymus serpyllum L.) using theoretical and experimental procedures. Theoretical prediction was assessed by Hansen solubility parameters (HSPs) and conductor-like screening model for realistic solvents (COSMO-RS), to predict the most suitable solvents for extraction of BACs. An experimental procedure was performed by nonthermal technology high voltage electrical discharge (HVED) and it was compared with modified conventional extraction (CE). Obtained extracts were analyzed for chemical and physical changes during the treatment. Theoretical results for solution of BACs in ethanol and water, as green solvents, were confirmed by experimental results, while more accurate data was given by COSMO-RS assessment than HSPs. Results confirmed high potential of HVED for extraction of BACs and volatile compounds from wild thyme, in average, 2.03 times higher yield of extraction in terms of total phenolic content was found compared to CE. The main phenolic compound found in wild thyme extracts was rosmarinic acid, while the predominant volatile compound was carvacrol. Obtained extracts are considered safe and high-quality source reach in BACs that could be further used in functional food production.

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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

Molecules ◽

10.3390/molecules25163711 ◽

2020 ◽

Vol 25 (16) ◽

pp. 3711

Author(s):

Marinela Nutrizio ◽

Jasenka Gajdoš Kljusurić ◽

Zvonimir Marijanović ◽

Igor Dubrović ◽

Marko Viskić ◽

...

Keyword(s):

Bioactive Compounds ◽

High Voltage ◽

Treatment Time ◽

Computational Simulation ◽

Rosmarinus Officinalis ◽

Solubility Parameters ◽

Total Phenol Content ◽

Green Solvents ◽

Hansen Solubility Parameters ◽

Rosmarinus Officinalis L

Rosemary (Rosmarinus officinalis 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.

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Phenolic and Antioxidant Analysis of Olive Leaves Extracts (Olea europaea L.) Obtained by High Voltage Electrical Discharges (HVED)

Foods ◽

10.3390/foods8070248 ◽

2019 ◽

Vol 8 (7) ◽

pp. 248 ◽

Cited By ~ 16

Author(s):

Irena Žuntar ◽

Predrag Putnik ◽

Danijela Bursać Kovačević ◽

Marinela Nutrizio ◽

Filip Šupljika ◽

...

Keyword(s):

Phenolic Compounds ◽

Antioxidant Capacity ◽

High Voltage ◽

Near Infrared ◽

Green Technology ◽

Total Phenolic ◽

Green Solvents ◽

Electrical Discharges ◽

Olive Leaves ◽

Significant Difference

Background: The aim of this study was to evaluate high voltage electrical discharges (HVED) as a green technology, in order to establish the effectiveness of phenolic extraction from olive leaves against conventional extraction (CE). HVED parameters included different green solvents (water, ethanol), treatment times (3 and 9 min), gases (nitrogen, argon), and voltages (15, 20, 25 kV). Methods: Phenolic compounds were characterized by ultra-performance liquid chromatography-tandem mass spectrometer (UPLC-MS/MS), while antioxidant potency (total phenolic content and antioxidant capacity) were monitored spectrophotometrically. Data for Near infrared spectroscopy (NIR) spectroscopy, colorimetry, zeta potential, particle size, and conductivity were also reported. Results: The highest yield of phenolic compounds was obtained for the sample treated with argon/9 min/20 kV/50% (3.2 times higher as compared to CE). Obtained results suggested the usage of HVED technology in simultaneous extraction and nanoformulation, and production of stable emulsion systems. Antioxidant capacity (AOC) of obtained extracts showed no significant difference upon the HVED treatment. Conclusions: Ethanol with HVED destroys the linkage between phenolic compounds and components of the plant material to which they are bound. All extracts were compliant with legal requirements regarding content of contaminants, pesticide residues and toxic metals. In conclusion, HVED presents an excellent potential for phenolic compounds extraction for further use in functional food manufacturing.

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The Effects Of Wild Thyme (Thymus Serpyllum L.) Essential Oil Components Against Ochratoxin-Producing Aspergilli / Majčina Dušica (Thymus Serpyllum L.) I Njezine Komponente Protiv Okratoksikotvornih Vrsta Aspergillusa

Archives of Industrial Hygiene and Toxicology ◽

10.2478/10004-1254-63-2012-2309 ◽

2012 ◽

Vol 63 (4) ◽

pp. 457-462 ◽

Cited By ~ 9

Author(s):

Darja Sokolić-Mihalak ◽

Jadranka Frece ◽

Anita Slavica ◽

Frane Delaš ◽

Hrvoje Pavlović ◽

...

Keyword(s):

Essential Oil ◽

Inhibitory Concentration ◽

Phenolic Content ◽

Fungal Growth ◽

Inhibitory Effect ◽

Aspergillus Ochraceus ◽

Total Phenolic ◽

Wild Thyme ◽

Oil Components ◽

Thymus Serpyllum

AbstractThe aim of this study was to determine the effects of the essential oil of Thymus serpyllum L. and of its components thymol and total phenols (total phenolic content, TPC) extracted from the plant on the growth and mycotoxin production of Aspergillus ochraceus, A. carbonarius, and A. niger. Minimal inhibitory concentration (MIC) determined for the essential oil and thymol, and selected concentration of the TPC extract inhibited fungal growth and ochratoxin A biosynthesis by more than 60 %, depending on the conditions and duration of incubation with the fungi. Essential oil showed the strongest inhibitory effect which may have been related to the synergistic or cumulative effects of its components

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A tool for identifying green solvents for printed electronics

Nature Communications ◽

10.1038/s41467-021-24761-x ◽

2021 ◽

Vol 12 (1) ◽

Author(s):

Christian Larsen ◽

Petter Lundberg ◽

Shi Tang ◽

Joan Ràfols-Ribé ◽

Andreas Sandström ◽

...

Keyword(s):

High Performance ◽

Printed Electronics ◽

Solubility Parameters ◽

Electrochemical Cells ◽

Large Set ◽

Green Solvents ◽

Green Solvent ◽

Hansen Solubility Parameters ◽

Light Emitting

AbstractThe emerging field of printed electronics uses large amounts of printing and coating solvents during fabrication, which commonly are deposited and evaporated within spaces available to workers. It is in this context unfortunate that many of the currently employed solvents are non-desirable from health, safety, or environmental perspectives. Here, we address this issue through the development of a tool for the straightforward identification of functional and “green” replacement solvents. In short, the tool organizes a large set of solvents according to their Hansen solubility parameters, ink properties, and sustainability descriptors, and through systematic iteration delivers suggestions for green alternative solvents with similar dissolution capacity as the current non-sustainable solvent. We exemplify the merit of the tool in a case study on a multi-solute ink for high-performance light-emitting electrochemical cells, where a non-desired solvent was successfully replaced by two benign alternatives. The green-solvent selection tool is freely available at: www.opeg-umu.se/green-solvent-tool.

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Hansen Solubility parameters and Green Solvents for Organic Photovoltaics

International Journal of Advances in Scientific Research and Engineering ◽

10.31695/ijasre.2018.32842 ◽

2018 ◽

Vol 4 (10) ◽

pp. 119-128

Author(s):

Defaru Negera ◽

Teketel Yohannes

Keyword(s):

Organic Photovoltaics ◽

Solubility Parameters ◽

Green Solvents ◽

Hansen Solubility Parameters ◽

Hansen Solubility

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Deep eutectic solvents for antiepileptic drug phenytoin solubilization: thermodynamic study

Scientific Reports ◽

10.1038/s41598-021-03212-z ◽

2021 ◽

Vol 11 (1) ◽

Author(s):

Hemayat Shekaari ◽

Mohammed Taghi Zafarani-Moattar ◽

Masumeh Mokhtarpour ◽

Saeid Faraji

Keyword(s):

Deep Eutectic Solvents ◽

Isentropic Compressibility ◽

Solubility Parameters ◽

Pharmaceutical Sciences ◽

Green Solvents ◽

Hansen Solubility Parameters ◽

Solvent Interactions ◽

Meyer Equation ◽

Isobaric Expansion ◽

Selection Of

AbstractThermodynamic investigations provide information about the solute-solvent interactions in the selection of the proper solvent for different fields of pharmaceutical sciences. Especially, the study of antiepileptic drugs in solutions (ethanol/co-solvent) has been a subject of interest owing to their effect in the systems using interaction with a number of important biological membranes. This work focuses on the measurement of density and speed of sound of the phenytoin (PTH) in ethanol/deep eutectic solvents (choline chloride:ethylene glycol, and choline chloride:glycerol) solutions as the innovative class of green solvents at temperature range (288.15 to 318.15) K. It was determined Hansen solubility parameters for assessment of PTH interactions in the solvent media. Some thermophysical parameters including apparent molar volumes Vϕ, apparent molar isobaric expansion $$E_\varphi^0$$ E φ 0 , and Hepler’s constant, apparent molar isentropic compressibility κφ were obtained and calculated using these data. To correlate the Vϕ and κφ values, the Redlich-Meyer equation was used to calculate the number of quantities containing standard partial molar volume and partial molar isentropic compressibility. Finally, $$\Delta \delta$$ Δ δ values showed a strong interaction between PTH and solvent (ethanol/DES (ChCl:EG)). The thermodynamic analysis of the studied system also plays a crucial role in the pharmaceutical industry.

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Using Hansen Solubility Parameters To Reduce Permeation In Clay

10.31988/scitrends.22503 ◽

2018 ◽

Author(s):

Michael Huth

Keyword(s):

Solubility Parameters ◽

Hansen Solubility Parameters ◽

Hansen Solubility

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Evaluation of Volatile Compounds during Ageing with Oak Chips and Oak Barrel of Muscat Ottonel Wine

Processes ◽

10.3390/pr8081000 ◽

2020 ◽

Vol 8 (8) ◽

pp. 1000

Author(s):

Anamaria Călugăr ◽

Teodora Emilia Coldea ◽

Carmen Rodica Pop ◽

Tiberia Ioana Pop ◽

Anca Cristina Babeș ◽

...

Keyword(s):

Volatile Compounds ◽

Ageing Time ◽

Extraction Process ◽

White Wine ◽

Economic Benefits ◽

Volatile Components ◽

Least Squares Regression ◽

Oak Chips ◽

Level Method ◽

Scientific Results

The aim of this work was to compare the variations of alcohols compounds in white wine Muscat Ottonel variety aged in the presence of untoasted oak chips, toasted oak chips and untoasted barrel, considering three ageing periods—30, 60, and 90 days. The liquid-liquid extraction and gas chromatography coupled to mass spectrometry were used to compare the concentrations of the volatile constituents of Muscat Ottonel wines. A total of 51 volatile compounds were quantified. Alcohols, terpenic and carboxylic acids decreased with ageing time, whereas esters, lactones, and phenolic compounds increased due esterification processes. The chips toast level, method, and duration of ageing, significantly influenced the content of aromatic compounds. Partial least squares regression (PLS-R) clearly discriminated the initial wine and also the wines aged with toasted and untoasted medium. The compounds (alcohols and terpenes) that impart distinctive aroma of Muscat Ottonel were enhanced by untoasted medium. Light toasted oak chips enhanced wood volatile components (acetovanillone and p-vinyl guaiacol). This study provides important scientific results on the ageing of Muscat Ottonel wines with practical economic benefits to winemakers. Alternative less expensive ageing methods and improved control on the wood components extraction process, may contribute to obtaining high-quality wines.

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