Abstract:Deep eutectic solvents (DES) are new ‘green’ solvents that have a high potential for biomass processing because of their low cost, low toxicity, biodegradability, and easy recycling. When Loblolly pine trees are harvested, their branches with needles are typically left in brush piles and decompose very slowly. Exploring the effect of DES pretreatment on waste pine needles was the goal of the present work. Loblolly pine needles were treated with three types of DES to prepare the biomass for enzymatic hydrolysis… Show more
“…This technology does not require any hazardous materials [22]. Recently, ionic liquid (IL)-based and deep eutectic solvent (DES)-based depolymerization approaches have shown great promise for sustainable and more selective lignin depolymerization [23][24][25][26]. Careful selection of greener solvents and the addition of microwave-based techniques could enhance the efficacy of these methods [23][24][25][26].…”
Due to the increased and excessive consumption of fossil fuels, sustainable alternative energy sources are badly needed to replace fossil fuels. The conversion of biomass into energy and value-added chemicals is one of the most promising potential pathways to solve this problem. Millions of tons of lignin, one of the major components of biomass, are produced annually as a byproduct of various industries, where it is treated as a low-value material. However, since it has an aromatic polymer nature, lignin is a proven source for different value-added products. Studies suggest that the selective cleavage of a specific bond of the complex lignin structure is one of the major challenges of converting lignin to a targeted product. In this study, eight different lignin depolymerization methods, both traditional and green, are reviewed. Acid and base catalytic depolymerization methods are straightforward, but due to their low selectivity and comparatively severe reaction conditions, they are expensive and not eco-friendly. Pyrolysis-based depolymerization comes with similar problems but has a higher conversion. In contrast, greener approaches, such as oxidative, microwave-assisted, super/sub-critical fluids (SCF), ionic liquid (IL), and deep eutectic solvent (DES)-based depolymerization techniques, have shown higher efficiency in terms of converting the lignin into phenolic compounds even under milder reaction conditions. SCF, IL, and DES-based approaches will likely become more popular in the future for their greener nature. Overall, depolymerization of lignin with greener technologies could make this process more economically viable and sustainable.
“…This technology does not require any hazardous materials [22]. Recently, ionic liquid (IL)-based and deep eutectic solvent (DES)-based depolymerization approaches have shown great promise for sustainable and more selective lignin depolymerization [23][24][25][26]. Careful selection of greener solvents and the addition of microwave-based techniques could enhance the efficacy of these methods [23][24][25][26].…”
Due to the increased and excessive consumption of fossil fuels, sustainable alternative energy sources are badly needed to replace fossil fuels. The conversion of biomass into energy and value-added chemicals is one of the most promising potential pathways to solve this problem. Millions of tons of lignin, one of the major components of biomass, are produced annually as a byproduct of various industries, where it is treated as a low-value material. However, since it has an aromatic polymer nature, lignin is a proven source for different value-added products. Studies suggest that the selective cleavage of a specific bond of the complex lignin structure is one of the major challenges of converting lignin to a targeted product. In this study, eight different lignin depolymerization methods, both traditional and green, are reviewed. Acid and base catalytic depolymerization methods are straightforward, but due to their low selectivity and comparatively severe reaction conditions, they are expensive and not eco-friendly. Pyrolysis-based depolymerization comes with similar problems but has a higher conversion. In contrast, greener approaches, such as oxidative, microwave-assisted, super/sub-critical fluids (SCF), ionic liquid (IL), and deep eutectic solvent (DES)-based depolymerization techniques, have shown higher efficiency in terms of converting the lignin into phenolic compounds even under milder reaction conditions. SCF, IL, and DES-based approaches will likely become more popular in the future for their greener nature. Overall, depolymerization of lignin with greener technologies could make this process more economically viable and sustainable.
“…Among the thousands of examples published, − DES featuring a melting point (MP) below room temperature are the most interesting as they have the potential to replace both traditional solvents and ionic liquids in room-temperature applications. Moreover, and as recently described by our group, the broad chemical diversity of the components has allowed researchers to make DESs with a broad range of chemical and physical properties, enabling unique applications in extractions, , reaction media, , sensors, , drug delivery, , mass conversion, , biology, , and environmental remediation. , Chemically speaking, DES are supported by a delicate interplay of intermolecular forces that include electrostatic interactions, hydrophobic interactions, van der Waals, , and (probably most importantly) hydrogen bonding. − While some reports suggest that some of the properties of DES can be modulated by the addition of water, − it is absolutely clear that many of those properties are determined by the balance of intermolecular interactions, which are (in turn) determined by the structure and functional groups of the components.…”
We present the application of an extreme gradient boosting model (eutXG) to predict the melting point (MP) of deep eutectic solvents (DES). The model is based on XGBoost, a decision tree ensemble based on gradient boosting designed to be highly scalable that enables superior training speed and prediction accuracy. The selected model�trained with molecular fingerprints, molar ratios, and selected chemical descriptors�enabled the prediction of the MPs of DES with an average accuracy of 97.6%, which represents a difference of just ±2.4% with respect to the values reported in the literature. Using SHapley Additive exPlanations (SHAP), further insights into the relative importance of different inputs used to train the machine learning model were identified. Moreover, the generalization ability of the eutXG model was critically assessed by comparing the predicted vs the experimentally determined MP of a series of novel DES based on halogen bonding, developed by mixing tetraalkylammonium triiodide salts (NPe 4 I 3 or NHex 4 I 3 ) with organoiodines, such as 1,2diiodotetrafluorobenzene (o-F 4 DIB), 1,3-diiodotetrafluorobenzene (m-F 4 DIB), or 2,5-diiodothiophene (2,5-DIT), demonstrating its ability to predict the actual melting with a difference of only 2 K. Our results not only reinforce the importance of having (at least some) representative data for the training step to increase the accuracy of the model's predictions but also demonstrate the ability of eutXG to accelerate the development of novel applications for this entirely new class of hydrophobic DES, potentially impacting a wide range of fields from pharmaceuticals to agrochemicals.
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