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New Advances in Deep Eutectic Solvents
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New Advances in Deep Eutectic Solvents

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Green Chemistry".

Deadline for manuscript submissions: 31 May 2024 | Viewed by 5372

Special Issue Editors

Dr. Iuliia V. Voroshylova

E-Mail Website
Guest Editor
REQUIMTE/LAQV, Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal
Interests: molecular dynamics simulations; density functional theory; ionic liquids; deep eutectic solvents; electric double layer; interface; electrolyte; energy storage
Dr. Elisabete Ferreira

E-Mail Website
Guest Editor Assistant
REQUIMTE/LAQV, Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto, 4169-007 Porto, Portugal
Interests: deep eutectic solvents; molecular dynamics; force field; electrodeposition; surface; electrode; solvent

Special Issue Information

Dear Colleagues,

In recent years, deep eutectic solvents (DESs) have gained significant attention from both academic and industrial communities. This is of no surprise, as DESs are a promising class of solvents with unique properties and potential applications in various fields. DESs are formed by combining two or more components in a specific ratio to create a eutectic mixture that remains liquid at or near room temperature, which makes them suitable for use as solvents for chemical reactions, separations, extractions, biotechnology, and the synthesis of nanoparticles, biomaterials, and pharmaceuticals.

Attractive properties of DESs, such as low volatility, high thermal stability, and high conductivity, means they can be used as potential electrolytes in energy storage devices, such as batteries and supercapacitors. Recent research has focused on optimizing the properties of DES-based electrolytes to improve the performance and stability of these devices.

Besides that, DESs can be considered “green” substances, as long as they are derived from natural compounds such as sugars, amino acids, and choline chloride. There are reports of DESs showing promise as sustainable alternatives to traditional solvents, as they are biodegradable, non-toxic, and renewable. Thus, they can be used in the extraction and purification of bioactive compounds from natural sources, such as plants and fungi. DESs have been found to effectively extract a wide range of compounds, including flavonoids, alkaloids, and terpenoids. DES-based drug delivery systems also seem to be promising.

Overall, the use of DESs in various fields is an active area of research, and new advances are being made all the time. The unique properties of DESs make them promising candidates for a wide range of applications, and their potential as sustainable and green solvents is particularly exciting.

The topics covered in this Special Issue represent recent findings in the synthesis of new DESs, theirs properties, and application in different fields. Both review and original research articles are welcomed, highlighting the latest developments and future challenges in this rapidly growing field.

Dr. Iuliia V. Voroshylova
Guest Editor

Dr. Elisabete Ferreira
Guest Editor Assistant

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • green chemistry
  • natural compounds
  • sustainable processes
  • solvents
  • electrolytes
  • extraction

Published Papers (5 papers)

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Research

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14 pages, 6590 KiB  
Article
Natural Deep Eutectic Solvents as Rust Removal Agents from Lithic and Cellulosic Substrates
by Francesco Gabriele, Cinzia Casieri and Nicoletta Spreti
Molecules 2024, 29(3), 624; https://doi.org/10.3390/molecules29030624 - 28 Jan 2024
Viewed by 668
Abstract
The peculiar physicochemical features of deep eutectic solvents (DESs), in particular their tunability, make them ideal media for various applications. Despite their ability to solubilize metal oxides, their use as rust removers from valuable substrates has not yet been thoroughly investigated. In this [...] Read more.
The peculiar physicochemical features of deep eutectic solvents (DESs), in particular their tunability, make them ideal media for various applications. Despite their ability to solubilize metal oxides, their use as rust removers from valuable substrates has not yet been thoroughly investigated. In this study, we chose three known DESs, consisting of choline chloride and acetic, oxalic or citric acid for evaluating their ability to remove corrosion products from a cellulose-based material as linen fabric and two different lithotypes, as travertine and granite. The artificial staining was achieved by placing a rusty iron grid on their surfaces. The DESs were applied by means of cellulose poultice on the linen fabrics, while on the rusted stone surfaces with a cotton swab. Macro- and microscopic observations, colorimetry and SEM/EDS analysis were employed to ascertain the cleaning effectiveness and the absence of side effects on the samples after treatment. Oxalic acid-based DES was capable of removing rust stains from both stone and cellulose-based samples, while choline chloride/citric acid DES was effective only on stone specimens. The results suggest a new practical application of DESs for the elimination of rust from lithic and cellulosic substrates of precious and artistic value. Full article
(This article belongs to the Special Issue New Advances in Deep Eutectic Solvents)
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13 pages, 2031 KiB  
Article
Preparation and Characterization of Zinc(II)-Based Lewis/Brønsted Acidic Deep Eutectic Solvents
by Chiara Pelosi, Aldo Quaranta, Marco Rollo, Elisa Martinelli, Celia Duce, Gianluca Ciancaleoni and Luca Bernazzani
Molecules 2023, 28(24), 8054; https://doi.org/10.3390/molecules28248054 - 12 Dec 2023
Viewed by 1180
Abstract
Lewis/Brønsted acidic deep eutectic solvents (LBDESs) are a recent class of solvents that combine the two types of acidity. In some cases, this synergy leads to enhanced catalytic properties for many reactions and applications. For this reason, it is important to discover more [...] Read more.
Lewis/Brønsted acidic deep eutectic solvents (LBDESs) are a recent class of solvents that combine the two types of acidity. In some cases, this synergy leads to enhanced catalytic properties for many reactions and applications. For this reason, it is important to discover more LBDESs. In this work, we prepared and characterized four different zinc(II)-based LBDESs, mixing ZnCl2 and various Brønsted acids: acetic, glycolic, levulinic, and formic acids. Apart from the latter, for which the corresponding DES is not thermally stable, the samples have been characterized in terms of density, viscosity, and conductivity. Notably, as zinc(II) is a diamagnetic metal, all of them are suitable for NMR spectroscopy, for example, for kinetic and mechanistic studies. Full article
(This article belongs to the Special Issue New Advances in Deep Eutectic Solvents)
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14 pages, 2735 KiB  
Article
Epsom Salt-Based Natural Deep Eutectic Solvent as a Drilling Fluid Additive: A Game-Changer for Shale Swelling Inhibition
by Muhammad Hammad Rasool and Maqsood Ahmad
Molecules 2023, 28(15), 5784; https://doi.org/10.3390/molecules28155784 - 31 Jul 2023
Cited by 2 | Viewed by 1107
Abstract
Shale rock swelling poses a significant challenge during drilling a well, leading to issues related to wellbore instability. Water-based mud with specific shale inhibitors is preferred over oil-based drilling mud due to its lower environmental impact. Recently, ionic liquids (ILs) have emerged as [...] Read more.
Shale rock swelling poses a significant challenge during drilling a well, leading to issues related to wellbore instability. Water-based mud with specific shale inhibitors is preferred over oil-based drilling mud due to its lower environmental impact. Recently, ionic liquids (ILs) have emerged as potential shale inhibitors due to their adjustable properties and strong electrostatic attraction. However, research has shown that the most commonly used class of ILs (imidazolium) in drilling mud are toxic, non-biodegradable, and expensive. Deep Eutectic Solvents (DESs), the fourth generation of ionic liquids, have been proposed as a cheaper and non-toxic alternative to ILs. However, ammonium salt-based DESs are not truly environmentally friendly. This research explores the utilization of Natural Deep Eutectic Solvent (NADES) based on Epsom salt (a naturally occurring salt) and glycerine as a drilling fluid additive. The drilling mud is prepared according to API 13B-1 standards. Various concentrations of NADES-based mud are tested for yield point, plastic viscosity, and filtration properties for both aged and non-aged samples. The linear swell meter is used to determine the percentage swelling of the NADES-based mud, and the results are compared with the swelling caused by KCl- and EMIM-Cl-based mud. FTIR analysis is conducted to understand the interaction between NADES and clay, while surface tension, d-spacing (XRD), and zeta potential are measured to comprehend the mechanism of swelling inhibition by NADES. The findings reveal that NADES improves the yield point and plastic viscosity of the mud, resulting in a 26% reduction in mudcake thickness and a 30.1% decrease in filtrate volume at a concentration of 1%. NADES achieves a significant 49.14% inhibition of swelling at the optimal concentration of 1%, attributed to its ability to modify surface activity, zeta potential of clay surfaces, and d-spacing of clay layers. Consequently, NADES emerges as a non-toxic, cost-effective, and efficient shale inhibitor that can replace ILs and DESs. Full article
(This article belongs to the Special Issue New Advances in Deep Eutectic Solvents)
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10 pages, 2593 KiB  
Communication
CO2 Capture Mechanism by Deep Eutectic Solvents Formed by Choline Prolinate and Ethylene Glycol
by Mingzhe Chen and Jinming Xu
Molecules 2023, 28(14), 5461; https://doi.org/10.3390/molecules28145461 - 17 Jul 2023
Cited by 3 | Viewed by 989
Abstract
The choline prolinate ([Ch][Pro]) as a hydrogen bond acceptor and ethylene glycol (EG) as a hydrogen bond donor are both used to synthesize the deep eutectic solvents (DESs) [Ch][Pro]-EG to capture CO2. The CO2 capacity of [Ch][Pro]-EG is determined, and [...] Read more.
The choline prolinate ([Ch][Pro]) as a hydrogen bond acceptor and ethylene glycol (EG) as a hydrogen bond donor are both used to synthesize the deep eutectic solvents (DESs) [Ch][Pro]-EG to capture CO2. The CO2 capacity of [Ch][Pro]-EG is determined, and the nuclear magnetic resonance (NMR) and infrared (IR) spectrum are used to investigate the CO2 capture mechanism. The results indicate that CO2 reacts with both the amino group of [Pro]− anion and the hydroxyl group of EG, and the mechanism found in this work is different from that reported in the literature for the [Ch][Pro]-EG DESs. Full article
(This article belongs to the Special Issue New Advances in Deep Eutectic Solvents)
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Review

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26 pages, 2426 KiB  
Review
Investigating Biomolecules in Deep Eutectic Solvents with Molecular Dynamics Simulations: Current State, Challenges and Future Perspectives
by Jan Philipp Bittner, Irina Smirnova and Sven Jakobtorweihen
Molecules 2024, 29(3), 703; https://doi.org/10.3390/molecules29030703 - 02 Feb 2024
Viewed by 994
Abstract
Deep eutectic solvents (DESs) have recently gained increased attention for their potential in biotechnological applications. DESs are binary mixtures often consisting of a hydrogen bond acceptor and a hydrogen bond donor, which allows for tailoring their properties for particular applications. If produced from [...] Read more.
Deep eutectic solvents (DESs) have recently gained increased attention for their potential in biotechnological applications. DESs are binary mixtures often consisting of a hydrogen bond acceptor and a hydrogen bond donor, which allows for tailoring their properties for particular applications. If produced from sustainable resources, they can provide a greener alternative to many traditional organic solvents for usage in various applications (e.g., as reaction environment, crystallization agent, or storage medium). To navigate this large design space, it is crucial to comprehend the behavior of biomolecules (e.g., enzymes, proteins, cofactors, and DNA) in DESs and the impact of their individual components. Molecular dynamics (MD) simulations offer a powerful tool for understanding thermodynamic and transport processes at the atomic level and offer insights into their fundamental phenomena, which may not be accessible through experiments. While the experimental investigation of DESs for various biotechnological applications is well progressed, a thorough investigation of biomolecules in DESs via MD simulations has only gained popularity in recent years. Within this work, we aim to provide an overview of the current state of modeling biomolecules with MD simulations in DESs and discuss future directions with a focus for optimizing the molecular simulations and increasing our fundamental knowledge. Full article
(This article belongs to the Special Issue New Advances in Deep Eutectic Solvents)
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