Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

The Effect of Water upon Deep Eutectic Solvent Nanostructure: An Unusual Transition from Ionic Mixture to Aqueous Solution.

ABSTRACT: The nanostructure of a series of choline chloride/urea/water deep eutectic solvent mixtures was characterized across a wide hydration range by neutron total scattering and empirical potential structure refinement (EPSR). As the structure is significantly altered, even at low hydration levels, reporting the DES water content is important. However, the DES nanostructure is retained to a remarkably high level of water (ca. 42?wt?% H₂ O) because of solvophobic sequestration of water into nanostructured domains around cholinium cations. At 51?wt?%/83?mol?% H₂ O, this segregation becomes unfavorable, and the DES structure is disrupted; instead, water-water and DES-water interactions dominate. At and above this hydration level, the DES-water mixture is best described as an aqueous solution of DES components.

SUBMITTER: Hammond OS

PROVIDER: S-EPMC5596335 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

The Effect of Water upon Deep Eutectic Solvent Nanostructure: An Unusual Transition from Ionic Mixture to Aqueous Solution.

Hammond Oliver S OS Bowron Daniel T DT Edler Karen J KJ

Angewandte Chemie (International ed. in English) 20170529 33

The nanostructure of a series of choline chloride/urea/water deep eutectic solvent mixtures was characterized across a wide hydration range by neutron total scattering and empirical potential structure refinement (EPSR). As the structure is significantly altered, even at low hydration levels, reporting the DES water content is important. However, the DES nanostructure is retained to a remarkably high level of water (ca. 42 wt % H<sub>2</sub> O) because of solvophobic sequestration of water into ...[more]

PMID: 28480595

Similar Datasets

Optimization of solvent-free enzymatic esterification in eutectic substrate reaction mixture.

Project description:The Candida rugosa lipase catalyzed esterification of (-)-menthol and lauric acid (LA) was studied in a eutectic mixture formed by both substrates((-)-menthol:LA 3:1, mol/mol). No additional reaction solvent was necessary, since the (-)-menthol:LA deep eutectic solvent (DES) acts as combined reaction medium and substrate pool. Therefore, the esterification is conducted under solvent-free conditions. The thermodynamic water activity (aw) was identified as a key parameter affecting the esterification performance in the (-)-menthol:LA DES. A response surface methodology was applied to optimize the esterification conditions in terms aw, amount of C. rugosa lipase (mCRL) and reaction temperature. Under the optimized reaction conditions (aw = 0.55; mCRL =60 mg; T =45 °C), a conversion of 95 ± 1% LA was achieved (one day), the final (-)-menthyl lauric acid ester concentration reached 1.36 ± 0.04 M (2.25 days). The experimental product formation rate agreed very well with the model prediction.

| S-EPMC6453777 | biostudies-literature

A N-doped porous carbon derived from deep eutectic solvent for adsorption of organic contaminants from aqueous or oil solution.

Project description:Porous N-doped carbon material (NCM) derived from deep eutectic solvent (DES) is successfully prepared. The preparation of NCM depends mainly on heating treatment and does not demand activation and filtration. The heating process contains three steps: (1) forming a DES that consists of glucose and urea at 100 °C; (2) preparing dried precursors by microwave; (3) and carbonizing the precursor. After heating, the resulting NCM can be obtained. The as-prepared NCM exhibits high specific surface area, rich micropores and strong Lewis basicity. Accordingly, NCMs show good adsorption performance for 4-nitrophenol or methylene blue in aqueous solution and thiophenic sulfurs in the oil phase. Apparently, NCM derived from DES not only possesses a simple preparation process, but also can remove a wide spectrum of organic pollutants. Therefore, the NCM prepared here may be promising for practical application.

| S-EPMC9056879 | biostudies-literature

Furfural and 5-Hydroxymethylfurfural Production from Sugar Mixture Using Deep Eutectic Solvent/MIBK System.

Project description:Choline chloride (ChCl) / glycolic acid (GA) deep eutectic solvent (DES) media with high water content but without any additional catalyst are introduced in furfural and 5-hydroxymethylfurfural (HMF) production. The effects of water content, reaction time, and reaction temperature are investigated with two feedstocks: a glucose/xylose mixture and birch sawdust. Based on the results, 10 equivalent quantities of water (32.9 wt.%) were revealed to be beneficial for conversions without rupturing the DES structure. The optimal reaction conditions were 160 °C and 10 minutes for the sugar mixture and 170 °C and 10 minutes for birch sawdust in a microwave reactor. High furfural yields were achieved, namely 62 % from the sugar mixture and 37.5 % from birch sawdust. HMF yields were low, but since the characterization of the solid residue of sawdust, after DES treatment, was revealed to contain only cellulose (49 %) and lignin (52 %), the treatment could be potentially utilized in a biorefinery concept where the main products are obtained from the cellulose fraction. Extraction of products into the organic phase (methyl isobutyl ketone, MIBK) during the reaction enabled the recycling of the DES phase, and yields remained high for three runs of recycling.

| S-EPMC8495682 | biostudies-literature

Green process to regenerate keratin from feathers with an aqueous deep eutectic solvent.

Project description:Poultry feathers, a source of keratin, are a significant side stream from the food industry, for which valorization is essential considering the circular economy aspects. For this, ecofriendly processes are the tools that allow the easy and feasible transformation of the feathers. Deep eutectic solvents (DESs) are generally considered as inexpensive, relatively simple, mild and environmentally friendly solvents which can dissolve proteins from protein-rich biomasses. In this work, feathers were processed with an aqueous DES to produce a uniform keratin feedstock. The proposed DES is composed of non-toxic sodium acetate and urea, with a small amount of water. After the DES treatment, water was used to dilute the DES components and regenerate the dissolved keratin. The processing conditions were optimized in terms of keratin yield and properties by varying the dissolution time from 2 h to 24 h and temperature from 80 °C to 100 °C. The yield of regenerated keratin was followed at different sodium acetate-urea molar ratios, and compared to the treatment performed with choline chloride-urea or 8 M urea as reference solvents. Sodium acetate-urea in the molar ratio of 1 : 2 at 100 °C and with 6 h dissolution time dissolved 86% of the feathers with a regenerated keratin yield of 45%. In the characterization of regenerated keratin, it was found that when the dissolution temperature was higher and the dissolution time longer, the disulfide and total sulfur content of feather keratin decreased, the range of molecular weights became wider, and some of the ordered secondary structure and crystallinity were lost.

| S-EPMC9065387 | biostudies-literature

A green hydrophobic deep eutectic solvent for extraction of phenol from aqueous phase.

Project description:Deep eutectic solvents (DESs), have been recognized as effective materials for the extraction of different compounds. In this study, the performance of a novel hydrophobic DES was evaluated for the extraction of phenol from aqueous solutions. Octanoic and dodecanoic fatty acid precursors with a definite molar ratio of 3:1, respectively, were used for the DES having a low melting point of 8.3 °C. The purity and stability of the product were confirmed via characterizing by FTIR, 1H and 13C NMR methods. The liquid-liquid equilibrium of the water + phenol + DES ternary system at different temperatures of 293.2, 298.2 and 308.2 K was accordingly studied through cloud point titration method and refractive index measurement. Interestingly, the important parameters of the solute distribution coefficient and the separation factor were, respectively, within the high levels of (6.8321-9.7787) and (895.76-2770.17), indicating the amazing capability of the DES. Reasonably, both of these parameters decreased with temperature. The NRTL and UNIQUAC thermodynamic models were employed to reproduce the obtained tie-lines and to determine the interaction parameters at each temperature. The low level root mean square deviations for the mentioned models were, respectively, within (0.0014-0.0027) and (0.0045-0.0063); confirming satisfactorily agreement with the experimental data.

| S-EPMC10576737 | biostudies-literature

Aqueous Ionic Liquids and Deep Eutectic Solvents for Cellulosic Biomass Pretreatment and Saccharification.

Project description:Ionic liquids (ILs) have proven effective solvents for pretreating lignocellulose, leading to the fast saccharification of cellulose and hemicellulose. However, the high current cost of most ILs remains a major barrier to commercializing this recent approach at a practical scale. As a strategic detour, aqueous solutions of ILs are also being explored as less costly alternatives to neat ILs for cellulose pretreatment. However, limited studies on a few select IL systems are known and there remains no systematic survey of various ILs, eluding an in-depth understanding of pretreatment mechanisms afforded by aqueous IL systems. As a step toward filling this gap, this study presents results for Avicel cellulose pretreatment by neat and aqueous solutions (1.0 and 2.0 M) of 20 different ILs and three deep eutectic solvents, correlating enzymatic hydrolysis rates of pretreated cellulose with various IL properties such as hydrogen-bond basicity, polarity, Hofmeister ranking, and hydrophobicity. The pretreatment efficiencies of neat ILs may be loosely correlated to the hydrogen-bond basicity of the constituent anion and IL polarity; however, the pretreatment efficacies for aqueous ILs are more complicated and cannot be simply related to any single IL property. Several aqueous IL systems have been identified as effective alternatives to neat ILs in lignocellulose pretreatment. In particular, this study reveals that aqueous solutions of 1-butyl-3-methylimidazolium methanesulfonate ([BMIM][MeSO3]) are effective for pretreating switchgrass (Panicum virgatum), resulting in fast saccharification of both cellulose and hemicellulose. An integrated analysis afforded by X-ray diffraction, scanning electron microscopy, thermogravimetric analysis and cellulase adsorption isotherm of lignocellulose samples is further used to deliver a more complete view of the structural changes attending aqueous IL pretreatment.

| S-EPMC3979586 | biostudies-literature

Deep Eutectic Solvent Aqueous Solutions as Efficient Media for the Solubilization of Hardwood Xylans.

Project description:This work contributes to the development of integrated lignocellulosic-based biorefineries by the pioneering exploitation of hardwood xylans by solubilization and extraction in deep eutectic solvents (DES). DES formed by choline chloride and urea or acetic acid were initially evaluated as solvents for commercial xylan as a model compound. The effects of temperature, molar ratio, and concentration of the DES aqueous solutions were evaluated and optimized by using a response surface methodology. The results obtained demonstrated the potential of these solvents, with 328.23?g?L-1 of xylan solubilization using 66.7?wt?% DES in water at 80?°C. Furthermore, xylans could be recovered by precipitation from the DES aqueous media in yields above 90?%. The detailed characterization of the xylans recovered after solubilization in aqueous DES demonstrated that 4-O-methyl groups were eliminated from the 4-O-methylglucuronic acids moieties and uronic acids (15?%) were cleaved from the xylan backbone during this process. The similar Mw values of both pristine and recovered xylans confirmed the success of the reported procedure. DES recovery in four additional extraction cycles was also demonstrated. Finally, the successful extraction of xylans from Eucalyptus globulus wood by using aqueous solutions of DES was demonstrated.

| S-EPMC6191028 | biostudies-literature

Development of different deep eutectic solvent aqueous biphasic systems for the separation of proteins.

Project description:In this work, aqueous biphasic systems (ABSs) formed by different deep eutectic solvents (DESs) were prepared and applied to extract proteins. The five kinds of DESs comprised amino acids and polyols ([amino acids][polyols]). They were combined with another DES resulting from tetrabutylammonium chloride and polypropylene glycol 400 ([TBAC][PPG400]) to form ABSs. The phase-forming abilities of [TBAC][PPG400]/[amino acids][polyols] were compared with those of [TBAC][PPG400]/amino acids and [TBAC][PPG400]/polyols. The results exhibited that the biphasic formation ability of [amino acids][polyols] lies between those of amino acids and polyols when [TBAC][PPG400] acts as the other phase in ABSs. The systems comprising [TBAC][PPG400] and [l-proline][xylitol] ([Pro][Xyl]) were further investigated to optimize the extraction performance. It was found that 97.30% chymotrypsin tended to distribute into the [Pro][Xyl]-rich phase under optimum conditions. The practical application of the system was demonstrated by the extraction of chymotrypsin from porcine pancreas. Besides, UV-Vis spectrophotometry (UV-Vis), Fourier transform infrared spectroscopy (FT-IR), and circular dichroism (CD) spectroscopy proved that the conformation of proteins remained unchanged during the extraction process. The extraction mechanism of the formation of DES-protein aggregates was investigated via conductivity, dynamic light scattering (DLS), and transmission electron microscopy (TEM). The overall results suggest that the DES/DES-based ABSs have outstanding potential in the green extraction of proteins.

| S-EPMC9064010 | biostudies-literature

Hydrolysis of regenerated cellulose from ionic liquids and deep eutectic solvent over sulfonated carbon catalysts.

Project description:The efficient hydrolysis of cellulose into its monomer unit such as glucose or valuable cello-oligosaccharides is the critical step for the cost-effective production of biofuels and biochemicals. However, the current cellulose hydrolysis process involves high energy-demanding pretreatment (e.g., ball-milling) and long reaction times (>24 h). Herein, we investigated the feasibility of the dissolution/regeneration (DR) of cellulose in ionic liquids (ILs) and deep eutectic solvent (DES) as an alternative to ball-milling pretreatment for the effective hydrolysis of cellulose. Because chlorine-based solvents were reported to be the most active for cellulose pretreatment, [EMIM]Cl and [DMIM]DMP were selected as the IL molecules, and choline chloride-lactic acid and choline chloride-imidazole were selected as the DES molecules. The level of the crystallinity reduction of the regenerated cellulose were analyzed using XRD and SEM measurements. The hydrolysis kinetics of the regenerated cellulose from ILs and DES were examined at 150 °C using sulfonated carbon catalysts and compared with those of the ball-milled cellulose. Overall, the cellulose pretreatment using the ILs and the DES had superior kinetics for cellulose hydrolysis to the conventional ball milling treatment, suggesting a possibility to replace the current high energy-demanding ball-milling process with the energy-saving DR process. In addition, the utilization of supercritical carbon dioxide-induced carbonic acid as an in situ acid catalyst for the enhanced hydrolysis of cellulose was presented for the first time.

| S-EPMC10009878 | biostudies-literature

High-voltage pulse-assisted extraction of flavonoids from kapok using deep eutectic solvent aqueous solutions.

Project description:In this study, deep eutectic solvents coupled with a pulsed electric field (PEF-DES) were first applied to the extraction of traditional Chinese medicine plants. This study uses the PEF-DES extraction technique to extract TG-KF (Kapok flavonoid solution extracted with DES-TG). PEF-DES is a simple, effective and environmentally-friendly technology and can be used in industrial-scale production. For the optimal extraction conditions of TG-KF, DES-TG was used as a solvent, the DES-TG concentration was 50%, the solid-liquid ratio was 1 : 30, the electric field intensity was 0.55 kV cm-1, the number of pulses was 100, and the yield of flavonoids was 14.36 ± 0.35%. TG-KF has very good stability and there is no precipitation or discoloration within 6 months. The results of chicken embryo experiments and human patch tests show that 10% TG-KF aqueous solution has no irritation. DPPH experiments show that TG-KF has excellent efficacy as an antioxidant. Overall, TG-KF is expected to become a potential antioxidant raw material.

| S-EPMC9437896 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data