Experimental and Molecular Modeling Evaluation of the Physicochemical Properties of Proline-Based Deep Eutectic Solvents

2017 ◽  
Vol 122 (1) ◽  
pp. 369-379 ◽  
Author(s):  
Adriaan van den Bruinhorst ◽  
Theodora Spyriouni ◽  
Jörg-Rüdiger Hill ◽  
Maaike C. Kroon
Keyword(s):  
Molecular Modeling ◽  
Physicochemical Properties ◽  
Deep Eutectic Solvents

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, 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.

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

Physicochemical Properties of Choline Chloride-Based Deep Eutectic Solvents with Polyols: An Experimental and Theoretical Investigation

2020 ◽  
Vol 8 (50) ◽  
pp. 18712-18728
Author(s):  
Krzysztof Biernacki ◽  
Hiléia K. S. Souza ◽  
Cláudio M. R. Almeida ◽  
Alexandre L. Magalhães ◽  
Maria Pilar Gonçalves
Keyword(s):  
Physicochemical Properties ◽  
Theoretical Investigation ◽  
Choline Chloride ◽  
Deep Eutectic Solvents

scholarly journals Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents

2020 ◽  
Vol 309 ◽  
pp. 113110
Author(s):  
Bartosz Nowosielski ◽  
Marzena Jamrógiewicz ◽  
Justyna Łuczak ◽  
Maciej Śmiechowski ◽  
Dorota Warmińska
Keyword(s):  
Physicochemical Properties ◽  
Deep Eutectic Solvents

Physicochemical properties of ammonium-based deep eutectic solvents and their electrochemical evaluation using organometallic reference redox systems

2013 ◽  
Vol 113 ◽  
pp. 205-211 ◽  
Author(s):  
Laleh Bahadori ◽  
Mohammed Harun Chakrabarti ◽  
Farouq Sabri Mjalli ◽  
Inas Muen AlNashef ◽  
Ninie Suhana Abdul Manan ◽  
...  
Keyword(s):  
Physicochemical Properties ◽  
Deep Eutectic Solvents ◽  
Redox Systems ◽  
Electrochemical Evaluation

Exploration of Physicochemical Properties and Molecular Modeling Studies of Furanylamide Analogs as Antituberculosis Agents

2007 ◽  
Vol 26 (8) ◽  
pp. 897-907 ◽  
Author(s):  
Revathi A. Gupta ◽  
Arun Kumar Gupta ◽  
Love Kumar Soni ◽  
S. G. Kaskhedikar
Keyword(s):  
Molecular Modeling ◽  
Physicochemical Properties ◽  
Modeling Studies ◽  
Molecular Modeling Studies
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