scholarly journals Experimental and Theoretical Study on Theobromine Solubility Enhancement in Binary Aqueous Solutions and Ternary Designed Solvents

Pharmaceutics ◽  
2021 ◽  
Vol 13 (8) ◽  
pp. 1118
Author(s):  
Tomasz Jeliński ◽  
Dawid Stasiak ◽  
Tomasz Kosmalski ◽  
Piotr Cysewski
Keyword(s):  
Organic Solvents ◽  
Theoretical Study ◽  
Molar Fraction ◽  
Deep Eutectic Solvents ◽  
Theoretical Frameworks ◽  
Screening Model ◽  
Reduction Techniques ◽  
Natural Deep Eutectic Solvents ◽  
Intermolecular Contacts ◽  
Aqueous Binary Mixtures

The solubility of theobromine was studied both experimentally and theoretically. The solubility was determined spectrophotometrically at 25 °C in neat organic solvents, aqueous binary mixtures, Natural Deep Eutectic Solvents (NADES) and ternary NADES mixtures with water. It was found that addition of water in unimolar proportions with some organic solvents increases theobromine solubility compared to neat solvents. Additionally, using NADES results in a solubility increase of the studied compound not only in relation to water but also DMSO. The addition of water (0.2 molar fraction) to NADES is responsible for an even larger increase of solubility. The measured solubilities were interpreted in terms of three theoretical frameworks. The first one—belonging to the set of data reduction techniques—proved to be very efficient in quantitative back-computations of excess solubility of theobromine in all studied systems. The default approach utilizing the well-recognized COSMO-RS (Conductor-like Screening Model for Real Solvents) framework offered at most a qualitative solubility description. The extended search for possible contacts provided evidence for the existence of many intermolecular complexes that alter the electron density of the solute molecule, thus influencing solubility computations. Taking into account such intermolecular contacts by using the COSMO-RS-DARE (Conductor-like Screening Model for Realistic Solvation-Dimerization, Aggregation, and Reaction Extension) framework seriously increased the accuracy of solubility computations.

scholarly journals The Effect of Deep Eutectic Solvents as Co-solvent on Organophosphorus Hydrolase Targeting Engineering Enzyme-catalyzed

2020 ◽  
Vol 10 (5) ◽  
pp. 6488-6497
Keyword(s):  
Organic Solvents ◽  
Low Cost ◽  
Choline Chloride ◽  
Molar Fraction ◽  
Enzyme Reaction ◽  
Deep Eutectic Solvents ◽  
Biochemical Properties ◽  
Organophosphorus Hydrolase ◽  
The Stability ◽  
The Individual

Deep eutectic solvents (DESs) are systems formed from one or more compounds in a mixture form, to give a eutectic with a melting point much lower than either of the individual components. DESs have attracted considerable attention as green alternative solvents to conventional solvents because they are not only eco-friendly, non-toxic, and biodegradable organic compounds, but also low cost and easy to produce.and share several features and properties. DESs not only have particular properties in comparison with traditional organic solvents, but also their combination with organic solvents may also show improved and desired properties. In this study, DESs were used as the solvent in buffer containing organophosphorus hydrolase enzyme, in order to optimize the enzyme reaction buffer. Different DESs such as reline (choline chloride 2:1 urea), ethaline (choline chloride 2:1 ethanol) and glyceline (choline chloride 2:1 glycerol) were selected as an adjuvant for OPH enzyme reaction buffer. Biochemical properties, thermal stability and half-life of the OPH enzyme were studied, accordingly. In the reline, a reduction in the activity of the enzyme and in ethaline and glyceline, an increase in the activity and the stability were observed when compared with the buffer. The highest activity and stability in ethaline and glyceline in molar fraction was 0.025 and 0.25, respectively.

scholarly journals Natural deep eutectic solvents as tailored and sustainable media for the extraction of five compounds from compound liquorice tablets and their comparison with conventional organic solvents

RSC Advances ◽  
2021 ◽  
Vol 11 (59) ◽  
pp. 37649-37660
Author(s):  
Jia-ni Dong ◽  
Guo-dong Wu ◽  
Zhi-qiang Dong ◽  
Dan Yang ◽  
Yu-kun Bo ◽  
...  
Keyword(s):  
Organic Solvents ◽  
Levulinic Acid ◽  
Extraction Efficiency ◽  
Antioxidant Activities ◽  
Deep Eutectic Solvents ◽  
Acid System ◽  
Natural Deep Eutectic Solvents ◽  
Extraction Parameters ◽  
Sustainable Media

A 1,4-butanediol–levulinic acid system was selected as a topgallant solvent and extraction parameters were optimized. NADES extracts exhibited higher extraction efficiency and in vitro antioxidant activities than conventional solvent extracts.

A review of sustainable lignocellulose biorefining applying (natural) deep eutectic solvents (DESs) for separations, catalysis and enzymatic biotransformation processes

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Ana Bjelić ◽  
Brigita Hočevar ◽  
Miha Grilc ◽  
Uroš Novak ◽  
Blaž Likozar
Keyword(s):  
Special Section ◽  
Cost Effective ◽  
Deep Eutectic Solvents ◽  
Reaction Conditions ◽  
Co Catalysts ◽  
Biomass Fractionation ◽  
Functional Step ◽  
Natural Deep Eutectic Solvents ◽  
Economic Need ◽  
Molecular Compounds

AbstractConventional biorefinery processes are complex, engineered and energy-intensive, where biomass fractionation, a key functional step for the production of biomass-derived chemical substances, demands industrial organic solvents and harsh, environmentally harmful reaction conditions. There is a timely, clear and unmet economic need for a systematic, robust and affordable conversion method technology to become greener, sustainable and cost-effective. In this perspective, deep eutectic solvents (DESs) have been envisaged as the most advanced novel polar liquids that are entirely made of natural, molecular compounds that are capable of an association via hydrogen bonding interactions. DES has quickly emerged in various application functions thanks to a formulations’ simple preparation. These molecules themselves are biobased, renewable, biodegradable and eco-friendly. The present experimental review is providing the state of the art topical overview of trends regarding the employment of DESs in investigated biorefinery-related techniques. This review covers DESs for lignocellulosic component isolation, applications as (co)catalysts and their functionality range in biocatalysis. Furthermore, a special section of the DESs recyclability is included. For DESs to unlock numerous new (reactive) possibilities in future biorefineries, the critical estimation of its complexity in the reaction, separation, or fractionation medium should be addressed more in future studies.

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