Lignin derived hydrophobic deep eutectic solvents as sustainable extractants

Zhang, Yuxuan; Qiao, Qing; Abbas, Usman; Liu, Jun; Zheng, Yi; Jones, Christopher; Shao, Qing; Shi, Jian

doi:10.1016/j.jclepro.2022.135808

Cited by 11 publications

(6 citation statements)

References 56 publications

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“…60 As such, X-DES can expand the current repertoire of hydrophobic DES 53 and be used to for a wide variety of purposes such as analytical extractions, 12,107,108 bioremediation, 109,110 and upconversion of natural products. 12 In addition, eutXG can significantly contribute to the formation of soluble forms 41 of X-DES incorporating halogenated pharmaceuticals and agrochemicals. 111,112…”

Section: Mp Prediction Of Halogen Bonding-based Desmentioning

confidence: 99%

“…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.…”

Section: Introductionmentioning

confidence: 99%

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eutXG: A Machine-Learning Model to Understand and Predict the Melting Point of Novel X-Bonded Deep Eutectic Solvents

Ayres,

Bandara,

McMillen

et al. 2024

ACS Sustainable Chem. Eng.

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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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Section: Mp Prediction Of Halogen Bonding-based Desmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

eutXG: A Machine-Learning Model to Understand and Predict the Melting Point of Novel X-Bonded Deep Eutectic Solvents

Ayres,

Bandara,

McMillen

et al. 2024

ACS Sustainable Chem. Eng.

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“…Hydrophobic DESs (HDESs) were first proposed in 2015 . HDES is often used for the extraction of natural plant components and even after mixing with water, a two-phase separation interface is formed, resulting in high component separation and extraction efficiency. − Given its excellent hydrophobic performance, HDES has also been introduced into synthetic materials to enhance overall hydrophobicity, antimicrobial properties, etc. − Our group has previously synthesized a series of water-insensitive functional materials using HDES, and the efficient dynamic interactions between the components endowed them with good underwater self-adhesion, self-healing, and sensing performance. − Therefore, it would be highly desirable to utilize the strong interfacial interactions and multifunctionality of HDES to construct superhydrophobic papers with a comprehensive performance.…”

Section: Introductionmentioning

confidence: 99%

High-Performance Flexible Ionically Conductive Superhydrophobic Papers via Deep Eutectic Polymer-Enhanced Interfacial Interactions

Xu,

Cao,

2024

Langmuir

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Endowing paper with highly flexible, conductive, and superhydrophobic properties will effectively expand its applications in fields such as green packaging, smart sensing, and paper-based electronics. Herein, a multifunctional superhydrophobic paper is reported in which a highly flexible transparent conductive substrate is prepared by introducing a hydrophobic deep eutectic polymer into the ethylcellulose network via a matrix swelling-polymerization strategy, and then the substrate is modified using fluorinated silica to impart superhydrophobicity. By introducing soft deep eutectic polymers, (1) the superhydrophobic paper can efficiently dissipate energy during deformation, (2) intrinsically ion-conducting deep eutectic polymers can endow the material with good electrical sensing properties, and (3) meanwhile, enhanced interfacial interactions can anchor inorganic particles, thereby improving the coating stability. The prepared superhydrophobic paper has an ultrahigh water contact angle (contact angle ≈ 162.2°) and exhibits a stable electrical response signal to external deformation/pressure, and the electrical properties are almost unaffected by external water molecules. In addition, the superhydrophobic paper was able to withstand 5000 bending−recovery cycles at a large angle of 150°, exhibiting stable electrical performance. The design concepts demonstrated here will provide insights into the development of superhydrophobic paper-based flexible electronic devices.

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“…13 In addition, DES also has some advantages that ILs does not have, such as low cost, low toxicity, and nonflammability. 14 So, DES is widely used in a variety of fields, such as metal processing and synthesis medium or template. [15][16][17] Studies have confirmed the potential of DES in biomass pretreatment, which can be used for the extraction of bioactive substances 18,19 and biomass refining, especially acidic DES.…”

Section: Introductionmentioning

confidence: 99%

“…It has similar properties with ionic liquids (ILs) 13 . In addition, DES also has some advantages that ILs does not have, such as low cost, low toxicity, and nonflammability 14 . So, DES is widely used in a variety of fields, such as metal processing and synthesis medium or template 15–17 .…”

Section: Introductionmentioning

confidence: 99%

Ultrasound‐assisted formic acid–choline chloride deep eutectic solvent pretreatment of cotton straw to extracted lignin

Xu,

Ren,

et al. 2023

J of Applied Polymer Sci

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Deep eutectic solvent (DES) is a new type of green solvent that can be used for the separation of lignocellulosic components. In this study, ultrasound‐assisted DES pretreatment was used to treat cotton straw, which could retain most of the cellulose in cotton straw and separate hemicellulose and lignin at the same time. Here, DESs with different molar ratios were prepared using choline chloride as hydrogen bond acceptor and formic acid as hydrogen bond donor. Simultaneously changing the ultrasonic frequency and DESs synergistic extraction of lignin. Results show that the ultrasonic power is 32 kHz (room temperature), ultrasound 30 min, oil bath heat 3 h under the best conditions can significantly extract lignin, and the yield of lignin is 87.7% and the purity reached 97.3%. The characteristic peaks of FT‐IR confirmed the extraction of lignin. The structural characteristics of 2D‐HSQC also confirmed the effective separation of lignin, and x‐ray diffraction (XRD) and scanning electron microscope (SEM) confirmed the effect of ultrasound‐assisted DES pretreatment on lignocellulose structure. In short, this study provides a feasible method for the separation of lignocellulose.

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Lignin derived hydrophobic deep eutectic solvents as sustainable extractants

Cited by 11 publications

References 56 publications

eutXG: A Machine-Learning Model to Understand and Predict the Melting Point of Novel X-Bonded Deep Eutectic Solvents

eutXG: A Machine-Learning Model to Understand and Predict the Melting Point of Novel X-Bonded Deep Eutectic Solvents

High-Performance Flexible Ionically Conductive Superhydrophobic Papers via Deep Eutectic Polymer-Enhanced Interfacial Interactions

Ultrasound‐assisted formic acid–choline chloride deep eutectic solvent pretreatment of cotton straw to extracted lignin

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