☆ 4.5 Review

An Overview of Structure and Dynamics Associated with Hydrophobic Deep Eutectic Solvents and Their Applications in Extraction Processes

CHEMPHYSCHEM (2022)

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Structure and dynamics of thymol - fatty acids based deep eutectic solvent investigated by molecular dynamics simulation

Samaneh Barani Pour et al.

Summary: The study focuses on the design of hydrophobic eutectic solvents (HDESs) based on Thymol and fatty acids, investigating their dynamical and structural properties through molecular dynamics simulations. The analysis of hydrogen bonding networks between Thymol molecules and fatty acids revealed significant interactions in binary mixture formation, impacting intermolecular interactions and molecule migration dynamics. Understanding these interactions can aid in determining suitable ratios for eutectic solvent design.

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Effect of Water on a Hydrophobic Deep Eutectic Solvent

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Summary: Deep eutectic solvents (DESs) formed by hydrogen bond donors and acceptors can be affected by the presence of water, leading to changes in physical properties such as phase separation, viscosity, self-diffusion, and conductivity. Water interferes with the hydrogen bonding network, enhancing ion pair formation. These water-induced changes have both beneficial and potentially negative effects on DESs.

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Review Biochemistry & Molecular Biology

Revisiting the Physicochemical Properties and Applications of Deep Eutectic Solvents

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Summary: This article reviews the basic information related to deep eutectic solvents (DES) or ionic liquid (IL) analogues, focusing on the physicochemical properties of density and viscosity, and their applications in drug delivery and biomolecule extraction. Various factors affecting their performance are considered, providing a detailed overview of the current status of DESs in research and development.

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Article Chemistry, Multidisciplinary

Recovery of Titanium from Ilmenite HCl Leachate Using a Hydrophobic Deep Eutectic Solvent

Keyu Zhu et al.

Summary: This paper proposes an environmentally friendly method for the recovery of titanium from ilmenite using a hydrophobic deep eutectic solvent (HDES). The formation mechanism of the solvent and its extraction effect on metal ions are thoroughly studied. Rutile titanium dioxide and iron oxide are successfully synthesized using the obtained solutions. This research is significant for the sustainable utilization of related metal ions.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2022)

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Article Chemistry, Physical

Molecular-level insights into inherent heterogeneity of maline deep eutectic system

Saugata Sahu et al.

Summary: This study investigates the heterogeneity in maline deep eutectic system (DES). The nature of heterogeneity is characterized by examining the properties of the mixture and identifying nanodomains consisting of different molecule-ion clusters. The experimental findings demonstrate that the DES mixture comprises of two different domains, with the physical properties depending on the molar ratio of choline chloride and malonic acid.

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Experimental Investigation and Modeling of Cocrystal Formation in L-Menthol/Thymol Eutectic System

Ahmad Alhadid et al.

Summary: The study conducted a detailed investigation on the solid-liquid equilibrium of the (L)-menthol/thymol eutectic system, revealing the presence of two cocrystals and solid solution regions. Utilizing a combination of experimental techniques and thermodynamic modeling is essential for accurately determining the SLE of eutectic systems.

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A Theoretical Study on Terpene-Based Natural Deep Eutectic Solvent: Relationship between Viscosity and Hydrogen-Bonding Interactions

Chen Fan et al.

Summary: This work aims to investigate the relationship between viscosity and hydrogen-bonding interactions in terpene-based natural deep eutectic solvents (NADES) in order to understand the origins of unique properties. The study reveals that the viscosity of NADES is influenced by the product of hydrogen-bond number and lifetime, as well as the nature of the hydrogen bonds involved. Different systems show varying viscosities based on the strength and stability of the hydrogen bonds, categorized from weak to medium, which are mostly derived from electrostatic interactions. The discovery of these intrinsic rules between viscosity and hydrogen-bonding interactions can guide the design of novel low-viscosity NADES in the future.

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Distinct Solvation Structures of CO2 and SO2 in Reline and Ethaline Deep Eutectic Solvents Revealed by AIMD Simulations

Akshay Malik et al.

Summary: Deep eutectic solvents are being explored as potential media for capturing greenhouse gases like CO2 and SO2. By conducting ab initio molecular dynamics simulations, researchers discovered distinct solvation structures around CO2 and SO2 in choline chloride-based DESs, with chloride anions preferentially interacting with the carbon and sulfur atoms of the gases. The study also found significant changes in solvation structures when transitioning from CO2 to SO2 as the chloride anions become more localized near the sulfur atom.

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Non-Ideality in Thymol plus Menthol Type V Deep Eutectic Solvents

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ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2021)

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Article Chemistry, Physical

Thermodynamic, transport, and structural properties of hydrophobic deep eutectic solvents composed of tetraalkylammonium chloride and decanoic acid

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Summary: This study employed Molecular Dynamics simulations to investigate the properties of hydrophobic deep eutectic solvents (DESs) at different temperatures, finding that the density and transport properties of DESs are significantly influenced by the length of the cationic chain. However, this length did not have a significant impact on radial distribution functions (RDFs) and hydrogen bonds. Strong hydrogen bonds were observed between the hydroxyl and carbonyl groups of decanoic acid, as well as between the hydroxyl group of decanoic acid and chloride, dominating the intermolecular interactions.

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On the coupling between ionic conduction and dipolar relaxation in deep eutectic solvents: Influence of hydration and glassy dynamics

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Summary: The ionic conductivity and dipolar reorientational dynamics of aqueous solutions of ethaline, a prototypical deep eutectic solvent, were studied using dielectric spectroscopy across a wide range of frequencies and temperatures. Different physical states such as low viscosity liquid, supercooled viscous liquid, amorphous solid, and freeze-concentrated solution were examined. An interesting transition was observed between water-in-DES and DES-in-water regimes, indicating a change in the rotation-translation coupling.

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Phase separation property of a hydrophobic deep eutectic solvent-water binary mixture: A molecular dynamics simulation study

Rabindranath Paul et al.

Summary: Deep eutectic solvents have been used in numerous fields as greener alternatives to conventional organic solvents. A hydrophobic DES composed of a 1:1 mixture of oleic acid and lidocaine possesses a unique phase separation property in water, which can be used for dye extraction from aqueous solutions.

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Multiple evidences of dynamic heterogeneity in hydrophobic deep eutectic solvents

Akshay Malik et al.

Summary: This study utilized atomistic molecular dynamics simulations to investigate the dynamics of DL-menthol based HDESs with acids of varying carbon chain lengths, revealing insights into hydrogen bond relaxation, intermolecular distances, and translational dynamics.

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Intra-Herb Interactions: Primary Metabolites in Coptidis Rhizoma Extract Improved the Pharmacokinetics of Oral Berberine Hydrochloride in Mice

Jing Zhao et al.

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Preparation of menthol-based hydrophobic deep eutectic solvents for the extraction of triphenylmethane dyes: quantitative properties and extraction mechanism

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Summary: A series of environmentally friendly and low-cost menthol-based hydrophobic deep eutectic solvents were synthesized to extract solutes from dilute solutions, especially TPM dye micropollutants. Experimental and simulation results confirmed the excellent extraction ability of these DES for TPM, providing solid theoretical support for separation in other fields.

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Heterogeneity in hydrophobic deep eutectic solvents: SAXS prepeak and local environments

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Summary: Recent introduction of novel deep eutectic solvents with hydrophobic character and greener starting materials has stimulated researchers to explore their new potential applications. Molecular dynamics simulations revealed the bulk phase morphology of dl-menthol based hydrophobic deep eutectic solvents, indicating strong intermolecular hydrogen bonding interactions between menthol-menthol, acid-acid, and menthol-acid molecules. The competition between the hydroxyl groups of acids and menthol to form intermolecular hydrogen bonds plays a significant role in determining the structure of these solvents.

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How Hydration Affects the Microscopic Structural Morphology in a Deep Eutectic Solvent

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Emilio J. Gonzalez et al.

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Liquefying Compounds by Forming Deep Eutectic Solvents: A Case Study for Organic Acids and Alcohols

Dinis O. Abranches et al.

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Removal of chlorophenols from aqueous media with hydrophobic deep eutectic solvents: Experimental study and COSMO RS evaluation

I Adeyemi et al.

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Molecular Dynamics Insights and Water Stability of Hydrophobic Deep Eutectic Solvents Aided Extraction of Nitenpyram from an Aqueous Environment

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Application of hole theory to define ionic liquids by their transport properties

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Electropolishing of stainless steels in a choline chloride based ionic liquid: an electrochemical study with surface characterisation using SEM and atomic force microscopy

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Deep eutectic solvents formed between choline chloride and carboxylic acids: Versatile alternatives to ionic liquids

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Novel solvent properties of choline chloride/urea mixtures

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