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Molecules
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Green Solvents as Emerging Substitutes: Preparation, Evaluation and Application
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Green Solvents as Emerging Substitutes: Preparation, Evaluation and Application

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

Deadline for manuscript submissions: closed (30 April 2024) | Viewed by 971

Special Issue Editors

Dr. Estefanía Zuriaga Marco

E-Mail Website
Guest Editor
Facultad de Ciencias de la Salud, Campus Universitario, Universidad San Jorge, Autov. A23 km 299, Villanueva de Gállego, 50830 Zaragoza, Spain
Interests: toxicity; biological activity; green solvents; drug formulations
Dr. Laura Lomba Eraso

E-Mail Website
Guest Editor
Facultad de Ciencias de la Salud, Campus Universitario, Universidad San Jorge, Autov. A23 km 299, Villanueva de Gállego, 50830 Zaragoza, Spain
Interests: toxicology; pharmacokinetic; drug formulation; green solvents
Special Issues, Collections and Topics in MDPI journals
Dr. Beatriz Giner Parache

E-Mail Website
Guest Editor
Facultad de Ciencias de la Salud, Campus Universitario, Universidad San Jorge, Autov. A23 km 299, Villanueva de Gállego, 50830 Zaragoza, Spain
Interests: toxicology; green chemistry; drug formulation; green solvents
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

In recent decades, significant efforts have been focused on the development and use of new solvents that follow the principles of green chemistry with the aim of replacing traditional ones. Some types of solvents, such as ionic liquids, supercritical fluids, biomass-derived solvents or deep eutectic solvents (DESs), have been studied in depth in order to classify them as green solvents. For solvents to be considered green, their design and preparation must involve the use of environmentally friendly processes, and they must have suitable properties, low toxicity and be effective for their intended applications.

Although significant progress has been made in this sense, new solvents still need to be found, and knowledge regarding existing solvents needs to be deepened. Therefore, we invite you to submit your original and review articles to this Special Issue related to green solvents research, which consider their preparation, the evaluation of their toxicity (experimental evaluation and prediction methods) and/or potential applications.

Dr. Estefanía Zuriaga Marco
Dr. Laura Lomba Eraso
Dr. Beatriz Giner Parache
Guest Editors

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 solvents
  • chemicals
  • toxicity
  • application
  • preparation

Published Papers (2 papers)

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Research

22 pages, 2416 KiB  
Article
Molecular Dynamics Study of the Green Solvent Polyethylene Glycol with Water Impurities
by Markus M. Hoffmann, Matthew D. Too, Nathaniel A. Paddock, Robin Horstmann, Sebastian Kloth, Michael Vogel and Gerd Buntkowsky
Molecules 2024, 29(9), 2070; https://doi.org/10.3390/molecules29092070 - 30 Apr 2024
Viewed by 164
Abstract
Polyethylene glycol (PEG) is one of the environmentally benign solvent options for green chemistry. It readily absorbs water when exposed to the atmosphere. The Molecular Dynamics (MD) simulations of PEG200, a commercial mixture of low molecular weight polyethyelene glycol oligomers, as well as [...] Read more.
Polyethylene glycol (PEG) is one of the environmentally benign solvent options for green chemistry. It readily absorbs water when exposed to the atmosphere. The Molecular Dynamics (MD) simulations of PEG200, a commercial mixture of low molecular weight polyethyelene glycol oligomers, as well as di-, tetra-, and hexaethylene glycol are presented to study the effect of added water impurities up to a weight fraction of 0.020, which covers the typical range of water impurities due to water absorption from the atmosphere. Each system was simulated a total of four times using different combinations of two force fields for the water (SPC/E and TIP4P/2005) and two force fields for the PEG and oligomer (OPLS-AA and modified OPLS-AA). The observed trends in the effects of water addition were qualitatively quite robust with respect to these force field combinations and showed that the water does not aggregate but forms hydrogen bonds at most between two water molecules. In general, the added water causes overall either no or very small and nuanced effects in the simulation results. Specifically, the obtained water RDFs are mostly identical regardless of the water content. The added water reduces oligomer hydrogen bonding interactions overall as it competes and forms hydrogen bonds with the oligomers. The loss of intramolecular oligomer hydrogen bonding is in part compensated by oligomers switching from inter- to intramolecular hydrogen bonding. The interplay of the competing hydrogen bonding interactions leads to the presence of shallow extrema with respect to the water weight fraction dependencies for densities, viscosities, and self-diffusion coefficients, in contrast to experimental measurements, which show monotonous dependencies. However, these trends are very small in magnitude and thus confirm the experimentally observed insensitivity of these physical properties to the presence of water impurities. Full article
(This article belongs to the Special Issue Green Solvents as Emerging Substitutes: Preparation, Evaluation and Application)
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22 pages, 3435 KiB  
Article
Accessible Eco-Friendly Method for Wastewater Removal of the Azo Dye Reactive Black 5 by Reusable Protonated Chitosan-Deep Eutectic Solvent Beads
by Oscar Martínez-Rico, Lucía Blanco, Ángeles Domínguez and Begoña González
Molecules 2024, 29(7), 1610; https://doi.org/10.3390/molecules29071610 - 03 Apr 2024
Viewed by 461
Abstract
A novel approach to enhance the utilization of low-cost and sustainable chitosan for wastewater remediation is presented in this investigation. The study centers around the modification of chitosan beads using a deep eutectic solvent composed of choline chloride and urea at a molar [...] Read more.
A novel approach to enhance the utilization of low-cost and sustainable chitosan for wastewater remediation is presented in this investigation. The study centers around the modification of chitosan beads using a deep eutectic solvent composed of choline chloride and urea at a molar ratio of 1:2, followed by treatment with sulfuric acid using an impregnation accessible methodology. The effectiveness of the modified chitosan beads as an adsorbent was evaluated by studying the removal of the azo dye Reactive Black 5 (RB5) from aqueous solutions. Remarkably, the modified chitosan beads demonstrated a substantial increase in adsorption efficiency, achieving excellent removal of RB5 within the concentration range of 25–250 mg/L, ultimately leading to complete elimination. Several key parameters influencing the adsorption process were investigated, including initial RB5 concentration, adsorbent dosage, contact time, temperature, and pH. Quantitative analysis revealed that the pseudo-second-order kinetic model provided the best fit for the experimental data at lower dye concentrations, while the intraparticle diffusion model showed superior performance at higher RB5 concentration ranges (150–250 mg/L). The experimental data were successfully explained by the Langmuir isotherm model, and the maximum adsorption capacities were found to be 116.78 mg/g at 298 K and 379.90 mg/g at 318 K. Desorption studies demonstrated that approximately 41.7% of the dye could be successfully desorbed in a single cycle. Moreover, the regenerated adsorbent exhibited highly efficient RB5 removal (80.0–87.6%) for at least five consecutive uses. The outstanding adsorption properties of the modified chitosan beads can be attributed to the increased porosity, surface area, and swelling behavior resulting from the acidic treatment in combination with the DES modification. These findings establish the modified chitosan beads as a stable, versatile, and reusable eco-friendly adsorbent with high potential for industrial implementation. Full article
(This article belongs to the Special Issue Green Solvents as Emerging Substitutes: Preparation, Evaluation and Application)
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