Ionic liquids (ILs) have sparked significant interest due to their lower melting points, broad applicability, and tunable physicochemical properties. They generally have negligible vapor pressures, wide electrochemical windows, structural flexibility, and remarkable solvation ability, which collectively endow ILs with unique functional versatility. Traditionally, they have been described as non-volatile, green, chemically stable, and environmentally benign alternatives to conventional solvents. Due to their versatility, ILs have been explored in various fields, including biotechnology and biomedicine, materials science and nanotechnology, separation and purification, energy storage, and electrochemistry. Within these domains, ILs are recognized not only as effective solvents but also as functional materials with task-specific properties that can be precisely engineered through appropriate selection of cation–anion combinations. However, generalizations of the whole class of compounds are oversimplified, and recent research has revealed complexities associated with their stability, toxicity, biodegradability, and long-term environmental persistence. These insights necessitate a more in-depth understanding of their properties and limitations. This review consolidates recent findings reported in the literature to provide a comprehensive perspective on ILs, highlighting both their potential to drive innovation across scientific and industrial domains and the importance of addressing sustainability issues to enable their safe and effective application.
Drug discovery for complex neurodegenerative disorders such as Alzheimer’s disease requires the development of multitarget therapeutic agents. In this context, this study employs an integrated in silico strategy to investigate the therapeutic potential of eight newly designed quinoline derivatives as dual modulators of the N-methyl-D-aspartate (NMDA) receptor and acetylcholinesterase (AChE). Molecular docking simulations are performed using AutoDock Vina to predict binding affinities and interaction profiles with the NMDA receptor (PDB ID: 5EWJ) and AChE (PDB ID: 4EY7). In parallel, comprehensive Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) profiling is conducted using validated computational tools to predict pharmacokinetic and toxicological liabilities. Molecular docking identifies two particularly promising candidates. Compound 2 exhibits a strong predicted binding affinity towards the NMDA receptor (− 38.07 kJ·mol−1) with a stable binding pose comparable to that of the reference ligand (ifenprodil). Likewise, compound 3 demonstrates the highest predicted affinity for AChE (− 39.33 kJ·mol−1), exceeding that of the reference drug (rivastigmine). ADMET predictions indicate favourable intestinal absorption for all compounds, with molecules 1 and 2 showing the greatest potential for blood–brain barrier penetration. Nevertheless, a notable safety concern emerges as all compounds are predicted to inhibit hERG II channels, suggesting a potential cardiotoxicity risk. The investigated molecules exhibit considerable dual-target potential against key neurological targets implicated in neurodegenerative diseases. Although their predicted efficacy profiles are encouraging, the identified safety liabilities, particularly cardiotoxicity, highlight the need for rational structural optimization before progressing to in vitro and in vivo validation studies.
Despite the growing interest in hydrophobic deep eutectic solvents (HDES) for separation processes, the rational design and systematic screening of HDES for phytic acid removal from aqueous systems remain underexplored. Phytic acid, or myo-inositol-1,2,3,4,5,6-hexakisphosphoric acid (IP6, PA), is a naturally occurring compound that accounts for 65
The two most common and basic aldehydes, formaldehyde (FA) and acetaldehyde (AA), are essential to human biology and industrial production. Both are reactive chemicals that have been shown to cause irritation and cancer in humans. Hence, their oxidation with the cobalt–salophen framework at 302 K using the spectrophotometric method to monitor the process results in 2:1 stoichiometric oxidation and generation of Co(II) ions and carboxylic acid products. First-order kinetics with respect to the concentration of FA and AA are obtained. The salt effects and dielectric constant influence remain neutral within the conditions of the oxidation processes. The inclusion of ion additives (Ca2+, Mg2+, and SO42−) boosts the reaction rate with more than a onefold increase. The temperature-dependent study illustrates an energy-needed system with a substantial orderliness, as suggested by thermodynamic enthalpy (FA: +57.95 kJ·mol−1, AA: +81.01 kJ·mol−1) and entropy (FA: −56.44 kJ·mol−1, AA: −3.33 kJ·mol−1) of activation. The mechanism opined an involvement of free radicals in the realisation of the carboxylic acid product. The SDS micelles implicated hydrophilic interaction with approximately a fourfold rate increase with a recoverability potential. This pinned the use of surfactant (SDS) as a choice green medium in chemical and biological reactions, which is sustainable and efficient.
The solubility of 5-bromo-1H-indole-3-carbaldehyde (BIAld) from 283.15 to 323.15 K was determined using a static gravimetric method in fifteen solvents, including methanol, ethanol, n-propanol, 2-propanol, n-butanol, 2-butanol, isobutanol, n-pentanol, 2-methyl-2-butanol, acetone, acetonitrile, methyl acetate, ethyl acetate, n-propyl acetate, and isopropyl acetate. At 298.15 K, acetone has the best dissolving ability, while isopropyl acetate dissolves the least. The experimental data were correlated with two empirical models (van’t Hoff equation and Yaws model) and two activity coefficient models (Wilson model and NRTL), with Yaws model fitting the best (100ARD: 1.068, 100RMSD: 0.012). The analyses of solvents found that hydrogen bond acceptor propensity is crucial (0.82), surpassing hydrogen bond donor propensity (0.46), polarity (0.32) and cohesive energy density ( - 0.19), based on Spearman rank correlation coefficients. Moreover, the intermolecular interaction energy between solvent and solute molecules calculated with COSMO-RS and the molecular electrostatic potentials (MEPs) of the solute and solvents jointly indicate that without incorporating the spatial factor of intermolecular interactions between solute and solvent molecules it could be challenging to accurately uncover the dissolving process. Additionally, the mixing thermodynamic properties indicate that the mixing process is spontaneous, endothermic, and entropy driven.
