Extraction of 5-Hydroxymethylfurfural and Furfural in Aqueous Biphasic Systems: A COSMO-RS Guided Approach to Greener Solvent Selection.

5-Hydroxymethylfurfural (HMF) and furfural (Fur) are promising biobased platform chemicals, derived from the dehydration of carbohydrate feedstocks, normally conducted in an aqueous phase. Plagued by side-reactions in such phase, such as the rehydration to levulinic acid (LA) and formic acid (FA) or self-condensation to humins, HMF and Fur necessitates diversification from monophasic aqueous reaction systems toward biphasic systems to mitigate undesired side-reactions. Here, a methodology based on the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) method was used to screen solvent candidates based on the predicted partition coefficients ().

Recovery of Phenolic Compounds from Orange Peel Waste by Conventional and Assisted Extraction Techniques Using Sustainable Solvents.

Background: The valorization of orange peel waste (OPW) through the extraction of bioactive compounds is a clear example of the circular economy. OPW contains many value-added compounds, among which bioactive phenolic compounds (flavonoids and phenolic acids) could be extracted and used for industrial applications, such as pharmaceuticals or cosmetics.

Methods: In this work, the extraction of phenolic compounds from orange peel was carried out by conventional (orbital shaker) and assisted (ultrasound and microwave) extraction techniques using deionized water, 80% (v/v) ethanol in water, and ethyl acetate as solvents.

Green solvents extraction-based detoxification to enhance the enzymatic hydrolysis of steam-exploded lignocellulosic biomass and recover bioactive compounds.

A novel strategy for pre-treated biomass detoxification combining emerging green solvents and low environmental impact extraction technologies was evaluated. Steam-exploded biomass was subjected to microwave-assisted or orbital shaking extraction using bio-based or eutectic solvents. The extracted biomass was enzymatically hydrolysed.

Enhanced Recovery of Natural Antioxidants from Grape Waste Using Natural Eutectic Solvents-Based Microwave-Assisted Extraction.

The evaluation of sustainable solvents as alternatives to more harmful conventional solvents combined with intensification techniques to recover phenolic compounds from agri-food waste is in the spotlight. The wine industry generates large amounts of waste as a consequence of grape processing operations, which can be revalued by solvent extraction of valuable antioxidants for food and fine chemical applications. Therefore, the present study focuses on the use of natural eutectic solvents (NAESs) with benign environmental, health, and safety profiles, for valorization of grape waste in the context of a circular economy.

Microbial torularhodin - a comprehensive review.

The demand for food, feed, cosmeceutical, and nutraceutical supplements/additives from natural sources has been rapidly increasing, with expectations for a faster expansion than the growth of the global markets in the coming years. In this framework, a particular interest is given to carotenoids due to their outstanding antioxidant activities, particularly the xanthophylls class. Torularhodin is one of these carotenoids that stands out for its multifunctional role as: antioxidant, anticancer and antimicrobial, yet its commercial potential is still unexplored.

Overview of neoteric solvents as extractants in food industry: A focus on phenolic compounds separation from liquid streams.

The loss and waste of food is a matter of great concern, leading to a multifaceted problem with negative economic, social, and environmental impacts as addressed in the UN Sustainable Development Goals number 2: zero hunger. The wine, fruit juice and vegetable oil processing industries generate significant amounts of wastes and side streams containing potentially valuable bioactive compounds. Some of them are plant secondary phenolic metabolites that offer remarkable health benefits (as antioxidants and anti-inflammatory compounds).

Rapeseed meal valorization strategies via nitrogen- and oxygen-limited production of polyhydroxyalkanoates with Pseudomonas putida.

Rapeseed meal (RSM) is a candidate for biopolymer production due to its abundance, low cost and potential integration with other rapeseed-derived products. However, existing studies pursuing such schemes are limited. The feasibility of different strategies for RSM valorization via protein extraction and polyhydroxyalkanoate production were evaluated.

Highlights from the Faraday Discussion on Ionic Liquids: From Fundamental Properties to Practical Applications, Cambridge, UK, September 2017.

For the third time, a Faraday Discussion addressed ionic liquids. Encompassing the wealth of research in this field, the contributions ranged from fundamental insights to the diverse applications of ionic liquids. Lively discussions initiated in the lecture hall and during poster sessions then seamlessly continued during the social program.

Molecular and Thermodynamic Properties of Zwitterions versus Ionic Liquids: A Comprehensive Computational Analysis to Develop Advanced Separation Processes.

Zwitterion ionic liquids (ZIs) are compounds in which both counterions are covalently tethered, conferring them with unique characteristics; however, most of their properties are still unknown, representing a bottleneck to exploit their practical applications. Herein, the molecular and fluid properties of ZIs and their mixtures were explored by means of quantum chemical analysis based on the density functional theory (DFT) and COSMO-RS method, and compared against homologous ionic liquids (ILs) to provide a comprehensive overview of the effect of the distinct structures on their physicochemical and thermodynamic behavior. Overall, ZIs were revealed as compounds with higher polarity and stronger hydrogen-bonding capacity, implying higher density, viscosity, melting point, and even lower volatility than structurally similar ILs.

Solubility of CO2 in [1-n-butylthiolanium][Tf2N]+toluene mixtures: liquid-liquid phase split separation and modelling.

Carbon dioxide has been shown to be an effective antisolvent gas for separating organic compounds from ionic liquids (ILs) by inducing a liquid-vapour to liquid-liquid-vapour transition. Using carbon dioxide, toluene can be separated from imidazolium, phosphonium and pyridinum cation-based ILs with the bis(trifluoromethylsulfonyl)imide anion, which is relatively hydrophobic and has a high toluene solubility. A new IL with relatively low viscosity is tested here for the same toluene separation process: 1-n-butylthiolanium bis(trifluoromethylsulfonyl)imide.

Excess enthalpy of monoethanolamine + ionic liquid mixtures: how good are COSMO-RS predictions?

Mixtures of ionic liquids (ILs) and molecular amines have been suggested for CO2 capture applications. The basic idea is to replace water, which volatilizes in the amine regeneration step and increases the parasitic energy load, with a nonvolatile ionic liquid solvent. To fully understand the thermodynamics of these systems, here experimental excess enthalpies for binary mixtures of monoethanolamine (MEA) and two ILs: 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [hmim][NTf2], and 1-(2-hydroxyethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [OHemim][NTf2], were obtained by calorimetry, using a Setaram C80 calorimeter, over the whole range of compositions at 313.

Anion effects on kinetics and thermodynamics of CO2 absorption in ionic liquids.

A thermogravimetric technique based on a magnetic suspension balance operating in dynamic mode was used to study the thermodynamics (in terms of solubility and Henry's law constants) and kinetics (i.e., diffusion coefficients) of CO2 in the ionic liquids [bmim][PF6], [bmim][NTf2], and [bmim][FAP] at temperatures of 298.

Selection of ionic liquids for enhancing the gas solubility of volatile organic compounds.

A systematic thermodynamic analysis has been carried out for selecting cations and anions to enhance the absorption of volatile organic compounds (VOCs) at low concentration in gaseous streams by ionic liquids (ILs), using COSMO-RS methodology. The predictability of computational procedure was validated by comparing experimental and COSMO-RS calculated Henry's law constant data over a sample of 125 gaseous solute-IL systems. For more than 2400 solute-IL mixtures evaluated, including 9 solutes and 270 ILs, it was found that the lower the activity coefficient at infinite dilution (γ(∞)) of solutes in the ILs, the more the exothermic excess enthalpy (H(E)) of the equimolar IL-solute mixtures.