Multiple Hydrogen-Bonding Interactions Enhance the Solubility of Starch in Natural Deep Eutectic Solvents: Molecule and Macroscopic Scale Insights

Cao, Chen; Nian, Binbin; Li, Yan; Wu, Shuying

doi:10.1021/acs.jafc.9b04503

Cited by 61 publications

(23 citation statements)

References 46 publications

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“…Duarte et al presented a novel therapeutic DES that was based on l -arginine and ethambutol and evaluated the solubility, permeability, and cytotoxicity of the substances that was incorporated into the DES system. Liu et al synthesized a natural DES composed of proline and glycerin for improving the solubility of starch. Shekaari et al prepared some bio-based DESs composed of amino acids (histidine, glycine, and alanine), and their thermophysical properties in aqueous solutions have been investigated.…”

Section: Introductionmentioning

confidence: 99%

Nitrogen-Doped Carbon Derived from Deep Eutectic Solvent as a High-Performance Supercapacitor

Wang

Guo

et al. 2021

ACS Appl. Energy Mater.

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As a kind of ionic fluid, deep-eutectic solvent (DES) has been used not only as a solvent but also as a precursor for carbon preparation in recent years. Herein, porous nitrogen-doped carbon (NC) has been prepared via simple pyrolysis of l-tyrosine-based DES. The effects of the proportion of the components in DES and the carbonization temperature on the morphology, pore structure, chemical composition, and the performance for supercapacitor application have been investigated. The as-prepared NCs show large surface areas, high nitrogen contents, hierarchical porous structures, and excellent capacitive performances. Specifically, the optimized sample exhibits a higher specific capacitance (306.5 F g–1), better rate capability (70.3% at 50 A g–1), and also shows high area capacitance (7.1 F cm–2) and specific capacitance (235.8 F g–1) when 30 mg/cm2 of the sample is loaded. The constructed symmetric supercapacitor attains a high energy density of 16.9 W h kg–1 (at 450 W kg–1) in the neutral electrolyte and outstanding cycling stability of 100% retention after 50,000 cycles. Moreover, the fabricated symmetrical solid KOH/poly(vinyl alcohol) supercapacitor displays a superior energy density of 15.2 W h kg–1 at 700 W kg–1 and can retain 8.8 W h kg–1 at 14 kW kg–1. Our work presents a route for the synthesis of porous carbon using DES as the carbonaceous precursor and also demonstrates its possible application in energy storage.

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Section: Introductionmentioning

confidence: 99%

Nitrogen-Doped Carbon Derived from Deep Eutectic Solvent as a High-Performance Supercapacitor

Wang

Guo

et al. 2021

ACS Appl. Energy Mater.

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“…This may be because a long extraction time leads to the dissolution of impurities in soybean and the reaction of the protein with the impurities in solution. 34 As shown in Figure S3c, with an increase in the mechanical stirring speed, the amount of extracted protein increased. When the stirring speed was low, the contact between the sample and DES was insufficient, the mass transfer rate was low, and the extraction efficiency of protein was low.…”

Section: ■ Results and Discussionmentioning

confidence: 81%

“…However, when the experimental time reached 5.0 h, the extraction efficiency of the protein decreased. This may be because a long extraction time leads to the dissolution of impurities in soybean and the reaction of the protein with the impurities in solution …”

Section: Resultsmentioning

confidence: 99%

Molecular Property-Tailored Soy Protein Extraction Process Using a Deep Eutectic Solvent

Chen

Chaihu

Yao

et al. 2021

ACS Sustainable Chem. Eng.

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Using soy protein as a model and deep eutectic solvent as the extraction solvent, the effects of key factors on the extraction of soy protein based on monitoring its molecular properties were systematically studied. The conditions for the recovery of soy protein from deep eutectic solvents were explored and optimized using the response surface methodology. In addition, the influence of the deep eutectic solvent on the structure and physicochemical properties of soy protein was studied using various characterization techniques. The results showed that the hydrogen bonding interaction in the deep eutectic solvent could affect the protein extraction, and the hydrophobic interaction also played an important role in the protein extraction. Moreover, the deep eutectic solvent caused protein denaturation and other changes in the protein, thus affecting the further applications of soy proteins. This study should provide reference and guidance for green extraction of other proteins by deep eutectic solvents in laboratory or industry and provide a basis for the utilization of soy or other proteins extracted from such processes.

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“…Molecular dynamics is an unique tool that allows probing the internal structure of these therapeutic liquid mixtures and to gain insights on the interactions and configurations of each component at its molecular level (Kumari et al, 2018;Cao et al, 2019;Gutiérrez et al, 2019;Sapir and Harries, 2020). Herein, we employed MD simulations to study the molecular structure of each mixture, in order to gain insights on which chemical groups are involved in the formation of the eutectic mixture and to identify suitable chemical modifications that can further improve the properties of ethambutol, enabling them to be used as therapeutic delivery systems (Santos et al, 2018).…”

Section: Molecular Dynamics Studiesmentioning

confidence: 99%

Molecular Dynamics Studies of Therapeutic Liquid Mixtures and Their Binding to Mycobacteria

Monteiro

Santos²,

Paiva³

et al. 2021

Front. Pharmacol.

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Tuberculosis is an highly contagious disease still considered by the WHO as one of most infectious diseases worldwide. The therapeutic approach, used to prevent and treat tuberculosis targets the Mycobacterium tuberculosis complex, comprises a combination of drugs administrated for long periods of time, which, in many cases, could cause several adverse effects and, consequently, low compliance of the patient to the treatment and drug-resistance. Therefore, therapeutic liquid mixtures formulated with anti-tuberculosis drugs and/or adjuvants in tuberculosis therapy are an interesting approach to prevent toxic effects and resistance to anti-tuberculosis drugs. The herein formulated therapeutic liquid mixtures, including ethambutol, arginine, citric acid and water under different molar ratios, were studied through a molecular dynamics approach to understand how ethambutol and arginine could be stabilized by the presence of citric acid and/or water in the mixture. To gain insights on how the uptake of these mixtures into the mycobacteria cell may occur and how a mycobacterial ABC transporter could contribute to this transport, multiple simultaneous ligand docking was performed. Interactions between citric acid and ethambutol involving the carboxyl and hydroxyl groups of citric acid with the amines of ethambutol were identified as the most critical ones. Water molecules present in the mixture provides the necessary network of hydrogen bonds that stabilize the mixture. Molecular docking additionally provided an interesting hypothesis on how the different mixture components may favor binding of ethambutol to an ABC importer. The data presented in this work helps to better understand these mixtures as well as to provide cues on the mechanisms that allow them to cross the mycobacterial cell membrane.

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Multiple Hydrogen-Bonding Interactions Enhance the Solubility of Starch in Natural Deep Eutectic Solvents: Molecule and Macroscopic Scale Insights

Cited by 61 publications

References 46 publications

Nitrogen-Doped Carbon Derived from Deep Eutectic Solvent as a High-Performance Supercapacitor

Nitrogen-Doped Carbon Derived from Deep Eutectic Solvent as a High-Performance Supercapacitor

Molecular Property-Tailored Soy Protein Extraction Process Using a Deep Eutectic Solvent

Molecular Dynamics Studies of Therapeutic Liquid Mixtures and Their Binding to Mycobacteria

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