scholarly journals Structural and Transport Properties of Binary Mixtures of Deep Eutectic Solvent (Ethaline) with Primary Alcohols: A Molecular Dynamics Study

2021 ◽  
Author(s):  
kishant kumar ◽  
Anand Bharti ◽  
Aditya Sinha
Keyword(s):  
Molecular Dynamics ◽  
Transport Properties ◽  
Binary Mixtures ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Md Simulations ◽  
Molar Ratio ◽  
Green Solvents ◽  
Primary Alcohols

<table><tr><td>Deep eutectic solvents (DESs) are classified as the green solvents which are considered as an alternative to volatile organic solvents. In this work, the thermophysical, structural and transport properties of binary mixtures of DES ethaline (choline chloride (ChCl) + ethylene glycol (etgly) at a molar ratio of 1:2) with primary alcohols (methanol/ethanol) are studied using molecular dynamics (MD) simulations</td></tr></table> <br>

scholarly journals Structural and Transport Properties of Binary Mixtures of Deep Eutectic Solvent (Ethaline) with Primary Alcohols: A Molecular Dynamics Study

2021 ◽  
Author(s):  
kishant kumar ◽  
Anand Bharti ◽  
Aditya Sinha
Keyword(s):  
Molecular Dynamics ◽  
Transport Properties ◽  
Binary Mixtures ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Md Simulations ◽  
Molar Ratio ◽  
Green Solvents ◽  
Primary Alcohols

<table><tr><td>Deep eutectic solvents (DESs) are classified as the green solvents which are considered as an alternative to volatile organic solvents. In this work, the thermophysical, structural and transport properties of binary mixtures of DES ethaline (choline chloride (ChCl) + ethylene glycol (etgly) at a molar ratio of 1:2) with primary alcohols (methanol/ethanol) are studied using molecular dynamics (MD) simulations</td></tr></table> <br>

scholarly journals Deep eutectic solvents aqueous two-phase system based ultrasonically assisted extraction of ursolic acid (UA) from Cynomorium songaricum Rupr.

2017 ◽  
Author(s):  
Xifeng Zhang ◽  
Ji Zhang
Keyword(s):  
Ursolic Acid ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Selective Extraction ◽  
Phase System ◽  
Green Solvents ◽  
Active Components ◽  
Two Phase ◽  
Solid Ratio

Deep eutectic solvents (DESs) are new green solvents that have attracted the attention of the scientific community mainly due to their unique properties and special characteristics, which are different from those of traditional solvents.A method based on ultrasonically assisted deep eutectic solvent aqueous two-phase systems( UAE-DES-ATPS) was developed for extracting ursolic acid (UA) from Cynomorium songaricum Rupr. Four different types of choline chloride-based DESs were prepared.Choline chloride-glucose (ChCl-Glu) exhibited good selective extraction ability. An optimum DES-ATPS of 36% (w/w) ChCl-Glu and 25% (w/w) K2HPO4 was considered to be a satisfactory system for extracting UA. Response surface methodology (RSM) method was used to optimize the extraction of UA using UAE-DES-ATPS. The optimum ultrasound-assisted conditions were as follows: solvent to solid ratio of 15:1 (g/g), ultrasound power of 470 W, and extraction time of 54 min. Compared with the conventional UAE method, the yields were basically the same, but the presented method had higher purity. The structure of UA did not change between pure UA and UA in the upper phase by UV–vis and FT-IR. This approach using ChCl-based DES-ATPS as a novel extraction system and ultrasound as a source of energy provided better choice for the separation of active components from other natural products.

scholarly journals Performance of p-Toluenesulfonic Acid–Based Deep Eutectic Solvent in Denitrogenation: Computational Screening and Experimental Validation

Molecules ◽  
2020 ◽  
Vol 25 (21) ◽  
pp. 5093 ◽  
Author(s):  
Ainul F. Kamarudin ◽  
Hanee F. Hizaddin ◽  
Lahssen El-blidi ◽  
Emad Ali ◽  
Mohd A. Hashim ◽  
...  
Keyword(s):  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Fuel Oil ◽  
Proton Nuclear Magnetic Resonance ◽  
Molar Ratio ◽  
Nitrogen Compounds ◽  
Green Solvents ◽  
Computational Screening ◽  
Toluenesulfonic Acid ◽  
Fuel Oils

Deep eutectic solvents (DESs) are green solvents developed as an alternative to conventional organic solvents and ionic liquids to extract nitrogen compounds from fuel oil. DESs based on p-toluenesulfonic acid (PTSA) are a new solvent class still under investigation for extraction/separation. This study investigated a new DES formed from a combination of tetrabutylphosphonium bromide (TBPBr) and PTSA at a 1:1 molar ratio. Two sets of ternary liquid–liquid equilibrium experiments were performed with different feed concentrations of nitrogen compounds ranging up to 20 mol% in gasoline and diesel model fuel oils. More than 99% of quinoline was extracted from heptane and pentadecane using the DES, leaving the minutest amount of the contaminant. Selectivity was up to 11,000 for the heptane system and up to 24,000 for the pentadecane system at room temperature. The raffinate phase’s proton nuclear magnetic resonance (1H-NMR) spectroscopy and GC analysis identified a significantly small amount of quinoline. The selectivity toward quinoline was significantly high at low solute concentrations. The root-mean-square deviation between experimental data and the non-random two-liquid (NRTL) model was 1.12% and 0.31% with heptane and pentadecane, respectively. The results showed that the TBPBr/PTSADES is considerably efficient in eliminating nitrogen compounds from fuel oil.

scholarly journals Deep eutectic solvents aqueous two-phase system based ultrasonically assisted extraction of ursolic acid (UA) from Cynomorium songaricum Rupr.

2017 ◽  
Author(s):  
Xifeng Zhang ◽  
Ji Zhang
Keyword(s):  
Ursolic Acid ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Selective Extraction ◽  
Phase System ◽  
Green Solvents ◽  
Active Components ◽  
Two Phase ◽  
Solid Ratio

Deep eutectic solvents (DESs) are new green solvents that have attracted the attention of the scientific community mainly due to their unique properties and special characteristics, which are different from those of traditional solvents.A method based on ultrasonically assisted deep eutectic solvent aqueous two-phase systems( UAE-DES-ATPS) was developed for extracting ursolic acid (UA) from Cynomorium songaricum Rupr. Four different types of choline chloride-based DESs were prepared.Choline chloride-glucose (ChCl-Glu) exhibited good selective extraction ability. An optimum DES-ATPS of 36% (w/w) ChCl-Glu and 25% (w/w) K2HPO4 was considered to be a satisfactory system for extracting UA. Response surface methodology (RSM) method was used to optimize the extraction of UA using UAE-DES-ATPS. The optimum ultrasound-assisted conditions were as follows: solvent to solid ratio of 15:1 (g/g), ultrasound power of 470 W, and extraction time of 54 min. Compared with the conventional UAE method, the yields were basically the same, but the presented method had higher purity. The structure of UA did not change between pure UA and UA in the upper phase by UV–vis and FT-IR. This approach using ChCl-based DES-ATPS as a novel extraction system and ultrasound as a source of energy provided better choice for the separation of active components from other natural products.

scholarly journals Deep Eutectic Solvent Dyeing of Cellulose Acetate Nanofibers With Disperse Dyes: Kinetics, Isotherm and Thermodynamic Studies

2021 ◽  
Author(s):  
Muhammad Tarique ◽  
Winges Fatima ◽  
Faraz Khan Mahar ◽  
Min Li ◽  
Jing Gu ◽  
...  
Keyword(s):  
Cellulose Acetate ◽  
Color Index ◽  
Choline Chloride ◽  
Short Interval ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Disperse Dyes ◽  
Green Solvents ◽  
Distinctive Features ◽  
Dyeing Process

Abstract Deep Eutectic Solvents (DES) was introduced more than a decade ago and has been used in variety of applications based on their unique chemical and physical properties. Recently, they have shown a considerable attention in various sectors including nanotechnology because they have distinctive features as “New green solvents”. Within this scope of work, we introduced choline chloride (CC) as a DES which is nontoxic, inexpensive and has tendency to improve color yield properties of disperse dyes on the nanofibers membrane. Cellulose acetate nanofibers (CANF) were electrospun and dyed with Color Index Disperse Red 277, Color Index Disperse Blue 165:1, and Color Index Disperse Yellow 211 in Choline chloride:Ethylene glycol (CC:EG) media and Choline chloride:Urea (CC:Urea) media by using high-temperature exhaust method. Results revealed that dyeing of CANF by CC:EG media has good color fixation properties than CC:Urea media. The dyed samples were characterized by FTIR and SEM. Further, the thermodynamic, standard affinities, and kinetic parameters have also been analyzed. The proposed dyeing of CANF with DES showed excellent calorimetric properties within a short interval of time as compared to conventional dyeing process.

scholarly journals Environmentally-Friendly Extraction of Flavonoids from Cyclocarya paliurus (Batal.) Iljinskaja Leaves with Deep Eutectic Solvents and Evaluation of Their Antioxidant Activities

Molecules ◽  
2018 ◽  
Vol 23 (9) ◽  
pp. 2110 ◽  
Author(s):  
Xianchao Shang ◽  
Jia-Neng Tan ◽  
Yongmei Du ◽  
Xinmin Liu ◽  
Zhongfeng Zhang
Keyword(s):  
Antioxidant Activities ◽  
Choline Chloride ◽  
Radical Scavenging ◽  
Deep Eutectic Solvent ◽  
Environmentally Friendly ◽  
Deep Eutectic Solvents ◽  
Selective Extraction ◽  
Molar Ratio ◽  
Cyclocarya Paliurus

Deep eutectic solvents (DESs) are commonly employed as environmentally-friendly solvents in numerous chemical applications owing to their unique physicochemical properties. In this study, a novel and environmentally-friendly extraction method based on ultrasound assisted-deep eutectic solvent extraction (UAE-DES) was investigated for the extraction of flavonoids from Cyclocarya paliurus (Batal.) Iljinskaja (C. paliurus) leaves, and the antioxidant activities of these flavonoids were evaluated. Nine different DES systems based on either two or three components were tested, and the choline chloride/1,4–butanediol system (1:5 molar ratio) was selected as the optimal system for maximizing the flavonoid extraction yields. Other extraction conditions required to achieve the maximum flavonoid extraction yields from the leaves of C. paliurus were as follows: DES water content (v/v), 30%; extraction time, 30 min; temperature, 60 °C; and solid-liquid ratio, 20 mg/mL. Liquid chromatography-mass spectrometry allowed the detection of five flavonoids in the extract, namely kaempferol-7-O-α-l-rhamnoside, kaempferol, quercetin, quercetin-3-O-β-d-glucuronide, and kaempferol-3-O-β-d-glucuronide. In vitro antioxidant tests revealed that the flavonoid-containing extract exhibited strong DPPH and ABTS radical-scavenging abilities. Results indicate that UAE-DES is a suitable approach for the selective extraction of flavonoids from C. paliurus leaves, and DESs can be employed as sustainable extraction media for other bioactive compounds.

Toxico-metabolomics study of a deep eutectic solvent comprising choline chloride and urea suggests in vivo toxicity involving oxidative stress and ammonia stress

2021 ◽  
Vol 23 (3) ◽  
pp. 1300-1311 ◽  
Author(s):  
Dasom Jung ◽  
Jae Back Jung ◽  
Seulgi Kang ◽  
Ke Li ◽  
Inseon Hwang ◽  
...  
Keyword(s):  
Oxidative Stress ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
In Vivo Toxicity ◽  
Metabolomics Study ◽  
Ammonia Stress

The in vitro and in vivo studies suggest that choline chloride-based deep eutectic solvents may not be considered as pure, safe mixtures even if they consist of safe compounds.

scholarly journals Deep Eutectic Solvents Based Choline Chloride for Enzymatic Biodiesel Production from Degumming Palm Oil

2020 ◽  
Vol 32 (4) ◽  
pp. 733-738 ◽  
Author(s):  
R. Manurung ◽  
Taslim ◽  
A.G.A. Siregar
Keyword(s):  
Palm Oil ◽  
Raw Materials ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Biodiesel Production ◽  
Chloride Salt ◽  
Enzymatic Reactions ◽  
Potential Applications ◽  
Palm Oil Biodiesel

Deep eutectic solvents (DESs) have numerous potential applications as cosolvents. In this study, use of DES as organic solvents for enzymatic biodiesel production from degumming palm oil (DPO) was investigated. Deep eutectic solvent was synthesized using choline chloride salt (ChCl) compounds with glycerol and 1,2-propanediol. Deep eutectic solvent was characterized by viscosity, density, pH and freezing values, which were tested for effectiveness by enzymatic reactions for the production of palm biodiesel with raw materials DPO. Deep eutectic solvent of ChCl and glycerol produced the highest biodiesel yield (98.98%); weight of DES was only 0.5 % of that of the oil. In addition, the use of DES maintained the activity and stability of novozym enzymes, which was assessed as the yield until the 6th usage, which was 95.07 % biodiesel yield compared with the yield without using DES. Hence, using DES, glycerol in enzymatic biodiesel production had high potentiality as an organic solvent for palm oil biodiesel production

Deep eutectic solvent delignification: Impact of initial lignin

BioResources ◽  
2017 ◽  
Vol 12 (4) ◽  
pp. 7301-7310
Author(s):  
Veronika Majová ◽  
Silvia Horanová ◽  
Andrea Škulcová ◽  
Jozef Šima ◽  
Michal Jablonský
Keyword(s):  
Lactic Acid ◽  
Oxalic Acid ◽  
Lignin Content ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Deep Eutectic Solvents ◽  
Kappa Number ◽  
Kraft Pulps ◽  
Oxygen Delignification ◽  
Detailed Understanding

This study aimed to resolve the issue of the lack of detailed understanding of the effect of initial lignin content in hardwood kraft pulps on pulp delignification by deep eutectic solvents. The authors used Kappa number of the concerned pulp, intrinsic viscosity, and selectivity and efficiency of delignification as the parameters of the effect. The pulp (50 g oven dry pulp) was treated with four different DESs systems based on choline chloride with lactic acid (1:9), oxalic acid (1:1), malic acid (1:1), and system alanine:lactic acid (1:9); the results were compared to those reached by oxygen delignification. The results showed that the pulp with a higher initial lignin content had a greater fraction of easily removed lignin fragments.

Application of Deep Eutectic Solvent (DES) as a Reaction Media for the Esterification of Acrylic Acid with n-Butanol

2015 ◽  
Vol 13 (3) ◽  
pp. 389-393 ◽  
Author(s):  
Emine Sert
Keyword(s):  
Catalytic Activity ◽  
Acrylic Acid ◽  
Batch Reactor ◽  
Choline Chloride ◽  
Deep Eutectic Solvent ◽  
Molar Ratio ◽  
Catalyst Loading ◽  
Toluene Sulfonic Acid ◽  
Effects Of Temperature ◽  
Reaction Media

Abstract Within the framework of green chemistry, catalysts should be met different criteria such as biodegradability, recyclability, flammability, non-toxicity and low price. Acidic deep eutectic solvent (DES) have been synthesized for this purpose, by mixing para-toluene sulfonic acid and choline chloride. The catalytic activity of DES was studied in the esterification of acrylic acid with n-butanol. The usage of DES as catalyst is simple, safe and cheap. The effects of temperature, catalyst loading, n-butanol/acrylic acid molar ratio on the conversion of acrylic acid were performed. The batch reactor experiments were carried out at temperatures of 338, 348, 358 and 368 K, molar ratio of butanol to acrylic acid of 1, 2,3 and catalyst loading of 10, 15, 20 and 90 g/L. 90.2% of acrylic acid conversion was achieved at a temperature of 358 K and catalyst loading of 20 g/L. Reusability of DES was investigated. Reusability and catalytic activity makes DES efficient as catalyst.

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