Deep Eutectic Solvents Formed by Glycerol and Xylitol, Fructose and Sorbitol: Effect of the Different Sugars in Their Physicochemical Properties.

The search for new eutectic solvents for different applications (extraction, drug formulation, chemical reactions, etc.) is booming thanks to their high solubility capacity and low toxicity. However, it is necessary to carry out a comprehensive physicochemical characterization of these mixtures to understand the molecular behavior at different experimental conditions.

Deep eutectic solvents based on sugars for oral applications.

Solubility is a critical parameter in drug formulation to achieve the desired therapeutical concentration. Most drugs are weak acids or bases and, therefore, exhibit low solubility and poor oral availability. The main aim of this work is the use of Deep Eutectic Systems (DESs) for improving the solubility of drugs in aqueous medium.

Ecotoxicological study of glucose:choline chloride and sorbitol:choline chloride at different contents of water.

The search of new solvents is currently focused on deep eutectic solvents (DES). However, there are not many ecotoxicological studies in different biomodels of DES that allow knowing how these chemicals affect to the environment along the trophic chain. In this manuscript, two DES at different proportion of water have been prepared and characterized from the ecotoxicological point of view.

Ecotoxicity interspecies study of ionic liquids based on phosphonium and ammonium cations.

This work studies the effects of different bromide-based ionic liquids, with phosphonium and ammonium cations, towards several environmental biomodels: Daphnia magna, Allivibrio fischeri, Raphidocelis subcapitata. Results indicate that toxicity clearly depends on the biomodel, Allivibrio fischeri being the least sensitive one while Daphnia magna is more severely affected in the presence of the studied ionic liquids. In most of the cases, phosphonium moieties are less toxic than ammonium ionic liquids.

Ecotoxicity and biodegradability of pure and aqueous mixtures of deep eutectic solvents: glyceline, ethaline, and reline.

Most of the works carried out on deep eutectic solvents (DESs) make reference to their physicochemical properties, and the analysis of their toxicological behavior on the environment and biodegradability are still limited. In this work, an exhaustive study on the ecotoxicity of three pure deep eutectic solvents (reline, glyceline, and ethaline) and their mixtures with water (reline-water, glyceline-water, and ethaline-water) was carried out in different biomodels: bacteria (A. fisheri), crustaceans (D.

Ecotoxicological study of six drugs in Aliivibrio fischeri, Daphnia magna and Raphidocelis subcapitata.

The presence of drugs in the environment is an emerging issue in the scientific community. It has been shown that these substances are active chemicals that consequently affect aquatic organisms and, finally, humans as end users. To evaluate the toxicity of these compounds and how they affect the environment, it is important to perform systematic ecotoxicological and physicochemical studies.

Is Green Chemistry a feasible tool for the implementation of a circular economy?

The main goal of this research is to evaluate the contributions of Green Chemistry as a potential tool to drive the transition to circularity. For this, we have carried out a bibliographic study, analyzing those documents, process, or experiences that dealt jointly with the Green Chemistry aspects related to circularity such circular economy, industrial ecology, and closed loop. Findings show that few authors have treated that disciplines together in the last 10 years.

QSAR study for predicting the ecotoxicity of NADES towards Aliivibrio fischeri. Exploring the use of mixing rules.

(Eco)toxicological information of natural deep eutectic solvents (NADES) is scarce, and thus, quantitative structure activity relationship (QSAR) models are an important tool for achieving the prediction of toxicity in this case. For that reason, in this manuscript, a new QSAR model for predicting the ecotoxicity of NADES towards the Aliivibrio fischeri biomodel, using mixing rules, is proposed. The main advantage of the method is that the individual components of the mixtures are molecularly modelled, and then, a mixing rule is used, which simplifies the process.

QSAR modelling for predicting the toxic effects of traditional and derived biomass solvents on a Danio rerio biomodel.

The increasing interest in the development of ecofriendly solvents has led to the synthesis of benign alternative chemicals with minimized environmental impacts. These kinds of chemicals are known as Green solvents. In this work, we selected three families of solvents (furfural, lactate and levulinate families) derived from biomass that are structurally related.

Acute and subacute effects of drugs in embryos of Danio rerio. QSAR grouping and modelling.

The final fate of many drugs is release into the natural aquatic environment. It is necessary to assess the toxicity caused by this situation and the associated concerns for human beings. Zebrafish (Danio rerio) is a common biomodel used to assess toxicity in aquatic environments.

Exploring the usefulness of key green physicochemical properties: Quantitative structure-activity relationship for solvents from biomass.

In recent decades there has been a growing interest in the development of new solvents from biomass. Some of these new solvents have been classified as green because of their renewable and sustainable source. However, characterization from the ecotoxicological and physicochemical points of view is needed to categorize them as green solvents.

Ecotoxicity and QSAR studies of glycerol ethers in Daphnia magna.

Glycerol is currently considered a raw, renewable material, which can be used to synthesize new glycerol derivatives that may be used as green solvents. However, these compounds must be environmentally evaluated before their use. The acute ecotoxicity of a series of mono-, di-, and trialkyl ethers synthesized from glycerol for the crustacean Daphnia magna has been studied.

Comparative ecotoxicology study of two neoteric solvents: Imidazolium ionic liquid vs. glycerol derivative.

In this study we have compared the acute ecotoxicity of two solvents, with very different structure and origin, but sharing many physical-chemical properties, so they can be used for similar purposes; a well-known ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) and a solvent partially derived from biomass, 3-bis(2,2,2-trifluoroethoxy)propan-2-ol (BTFIP). We have used three biomodels (Vibrio fischeri, Daphnia magna and Danio rerio) and performed the comparison applying the Environmental, Health and Safety (EHS) hazard assessment. According to the results, ecotoxicity of [BMIM][PF6] and BTFIP is quite similar in the simplest model Vibrio fischeri, while in Daphnia magna [BMIM][PF6] is clearly more toxic.

Ecotoxicity studies of the levulinate ester series.

The increasing interest in the development of novel green solvents has led to the synthesis of benign alternative products with minimized environmental impacts. However, most of published studies on green solvents focus primarily on their physicochemical properties, with limited emphasis on absence of ecotoxicological assessment. In this study, we evaluated the acute ecotoxicity of four levulinates (levulinic acid, methyl levulinate, ethyl levulinate and butyl levulinate) on freshwater algae (Chlamydomonas reinhardtii), bacteria (Vibrio fischeri), daphnids (Daphnia magna) and earthworms (Eisenia foetida) using various dose-response tests.

Physicochemical characterization of n-butyl-3-methylpyridinium dicyanamide [corrected] ionic liquid.

The room temperature ionic liquid n-butyl-3-methylpyridinium dicyanamide has been characterized. Physicochemical properties such as density, speed of sound, refractive index, surface tension, and kinematic viscosity of the studied liquid have been experimentally measured in a wide range of temperatures. From results, coefficients of thermal expansion, molar refractions, dynamic viscosities and entropies and enthalpies of surface formation per unit surface area at the studied temperatures have been derived.

Thermophysic comparative study of two isomeric pyridinium-based ionic liquids.

A comprehensive thermophysical study of isomeric room-temperature ionic liquids n-butyl-3-methyl-pyridinium tetrafluoroborate and n-butyl-4-methyl-pyridinium tetrafluoroborate has been performed. This paper reports various experimental data including density, speed of sound, refractive index, surface tension, isobaric molar heat capacity, and kinematic viscosity. From the experimental results, coefficients of thermal expansion, dynamic viscosities and molar refractions of the studied ionic liquids have been determined.

Phase equilibrium of liquid mixtures: experimental and modeled data using statistical associating fluid theory for potential of variable range approach.

A study of the phase equilibrium (experimental and modeled) of mixtures formed by a cyclic ether and haloalkanes has been derived. Experimental data for the isothermal vapor liquid equilibrium of mixtures formed by tetrahydrofuran and tetrahydropyran and isomeric chlorobutanes at temperatures of 298.15, 313.

Phase equilibrium of binary mixtures of cyclic ethers + chlorobutane isomers: experimental measurements and SAFT-VR modeling.

The phase equilibria (experimental and modeled) of eight binary mixtures each formed by a cyclic ether (1,3-dioxolane or 1,4-dioxane) and a chlorobutane isomer (1-chlorobutane, 2-chlorobutane, 1-chloro-2-methylpropane, or 2-chloro-2-methylpropane) are presented. New experimental vapor-liquid equilibrium data at isothermal conditions (298.15, 313.

Study of weak molecular interactions through thermodynamic mixing properties.

The electron donor-acceptor abilities of some cyclic ethers (tetrahydropyran or tetrahydrofuran), benzene, and halobenzenes (fluorobenzene or chlorobenzene) and the molecular interactions between these compounds have been investigated through a wide set of thermodynamic mixing properties of their mixtures. The mixing properties have been derived from experimental measurements of density, speed of sound, refractive index, surface tension, heat of mixing, and vapor-liquid equilibrium at the temperature of 298.15 K.

Surface behavior of the 1-bromobutane with isomeric butanol mixtures.

Surface tensions of the 1-bromobutane with isomeric butanol mixtures were measured in the temperature range 283.15 K (or 298.15 K for 2-methyl-2-propanol) to 313.

Proton sponge and fatty acid interactions at the air-water interface. Thermodynamic, spectroscopic, and microscopic study.

Mixed Langmuir and Langmuir-Blodgett (LB) films of a proton sponge, namely, diphenyl bis(octadecylamino)phosphonium bromide, and a fatty acid, docosanoic acid, with different molar ratios have been fabricated. Surface pressure versus area per molecule isotherms were registered, and the excess areas and excess Gibbs energy of mixing were calculated. Strong interactions between the proton sponge and the fatty acid take place at the air-water interface.

Surface tensions for isomeric chlorobutanes with isomeric butanols.

A drop volume tensiometer was employed to measure the surface tensions for the binary mixtures of each of the isomers of chlorobutane with each of the isomers of butanol at a temperature of 298.15 K. From these data the surface tension deviations were calculated.