Modeling the Physicochemical Properties of Natural Deep Eutectic Solvents

ChemSusChem ◽  
2020 ◽  
Vol 13 (15) ◽  
pp. 3789-3804 ◽  
Author(s):  
Attila Kovács ◽  
Erik C. Neyts ◽  
Iris Cornet ◽  
Marc Wijnants ◽  
Pieter Billen
Keyword(s):  
Physicochemical Properties ◽  
Deep Eutectic Solvents ◽  
Natural Deep Eutectic Solvents

scholarly journals Physicochemical Properties, Cytotoxicity, and Antioxidative Activity of Natural Deep Eutectic Solvents Containing Organic Acid

2019 ◽  
Vol 33 (1) ◽  
pp. 1-18 ◽  
Author(s):  
Anamarija Mitar ◽  
Manuela Panić ◽  
Kristina Radošević ◽  
Ivana Radojčić Redovniković ◽  
Kristina Zagajski Kučan ◽  
...  
Keyword(s):  
Physicochemical Properties ◽  
Antioxidative Activity ◽  
Deep Eutectic Solvents ◽  
Oxygen Radical ◽  
Structural Variations ◽  
Natural Deep Eutectic Solvents ◽  
Environmentally Safe ◽  
Mcf 7

Natural deep eutectic solvents (NADES) may be considered ‘designer solvents’ due to their numerous structural variations and the possibility of tailoring their physicochemical properties. Prior to their industrial application, characterization of NADES is essential, including determination of their physicochemical properties, cytotoxicity, and antioxidative activity. The most important physicochemical properties of eight prepared NADES (choline chloride:malic acid, proline:malic acid, choline chloride:proline:malic acid, betaine:malic acid, malic acid:glucose, malic acid:glucose:glycerol, choline chloride:citric acid, and betaine:citric acid) were measured as functions of temperature and water content. In general, the structure of prepared NADES greatly influences their physical properties, which could be successfully modified and adjusted by addition of water. All tested NADES were absolutely benign and noncorrosive for investigated steel X6CrNiTi18-10. Furthermore, cytotoxicity of prepared solvents was assessed toward three human cell lines (HEK-293T, HeLa, and MCF-7 cells), and antioxidative activity was measured by the Oxygen Radical Absorbance Capacity (ORAC) method. With regard to cell viability, all tested NADES containing carboxylic acid could be classified as practically harmless and considered environmentally safe. The ORAC values indicated that the tested NADES displayed antioxidative activity.

Nanostructuring and Macroscopic Behavior of Type V Deep Eutectic Solvents Based on Monoterpenoids

2021 ◽  
Author(s):  
Cristina Benito ◽  
Alberto Gutiérrez ◽  
Rafael Alcalde ◽  
Santiago Aparicio ◽  
Noor F Alomari ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Physicochemical Properties ◽  
Deep Eutectic Solvents ◽  
Macroscopic Behavior ◽  
Modeling Approach ◽  
Natural Deep Eutectic Solvents ◽  
Type V

Type V natural deep eutectic solvents based on monoterpenoids (cineole, carvone, menthol, and thymol) are studied using a combined experimental and molecular modeling approach. The reported physicochemical properties showed low...

scholarly journals Physicochemical Properties of Choline Chloride-Based Natural Deep Eutectic Solvents (NaDES) and Their Applicability for Extracting Oil Palm Flavonoids

2021 ◽  
Vol 13 (23) ◽  
pp. 12981
Author(s):  
Mohamad Shazeli Che Zain ◽  
Jen Xen Yeoh ◽  
Soo Yee Lee ◽  
Khozirah Shaari
Keyword(s):  
Physicochemical Properties ◽  
Oil Palm ◽  
Elaeis Guineensis ◽  
Choline Chloride ◽  
Radical Scavenging ◽  
Deep Eutectic Solvents ◽  
Green Technology ◽  
Bioactive Metabolites ◽  
Aqueous Methanol ◽  
Natural Deep Eutectic Solvents

Oil palm (Elaeis guineensis Jacq.) leaf (OPL) is abundantly generated from oil palm plantations as biomass that is rich in bioactive metabolites, primarily flavonoids. Six natural deep eutectic solvents (NaDES) were synthesized using a direct heating technique from different combinations of choline chloride with 1,2-propanediol (PD), 1,4-butanediol (BD), glycerol (GLY), glucose (GLU), maltose (MAL) and lactic acid (LA). The synthesized NaDES were subjected to physicochemical and biological evaluations comprising physical appearance, density, water activity, viscosity, polarity, thermal behaviors, spectroscopic analysis, cytotoxicity, radical scavenging activities and solubility tests. Compared to aqueous methanol, the synthesized NaDES, which appeared as a slightly to moderately viscous transparent liquid, showed favorable physicochemical properties as extraction solvents with a low cytotoxicity profile on cultured fibroblast cells. Further, the NaDES obtained from the choline chloride:lactic acid (LA) combination showed high free radical scavenging characteristics. Hydrogen bonding interactions were shown to play a significant role in the formation of the NaDES. Further, ultra-high-performance liquid chromatography ultraviolet/photodiode array (UHPLC-UV/PDA) analysis revealed that the NaDES from the choline chloride:glycerol (GLY) combination had comparable efficiencies with aqueous methanol regarding extracting flavonoids (luteolin and apigenin derivatives) from OPLs. The results of the present study suggested that the tailor-made NaDES were not only easy-to-use, stable and safe solvents but also suitable for extracting bioactive phytochemical compounds. The study highlighted their potential as an alternative green technology for applications in oil palm biomass utilization programs.

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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