Microwave-assisted extraction of cellulose and aromatic compounds from rose petals based on deep eutectic solvent.

High-value utilization of agricultural wastes such as rose petals promotes the development of the dual carbon economy. In this study, rose petals were pretreated by microwave-assisted deep eutectic solvent (DES). Choline chloride-ethylene glycol (ChCl-EG) was used as the basis for the addition of P-toluenesulfonic acid (TsOH) or Ferric chloride (FeCl3). Forming ternary DESs, as well as designing quaternary DESs with a synergistic effect. The effects of different types of multicomponent DES on treating anthocyanins, cellulose, and lignin in rose flowers were explored. The results showed that the highest anthocyanin extraction of 173.71 mg/g and the highest lignin removal of 40.80 % could be achieved after tetrad DES pretreatment when the molar ratio was ChCl:EG:TsOH:FeCl3 = 1:2:0.3:0.3. The interaction energy between anthocyanins and DES was calculated using density functional theory (DFT), and the maximum was -543.14 kcal/mol. This study demonstrated that DES pretreatment can provide novel insights for the utilization of roses in high-value.

Exploration of the interaction mechanism of lignocellulosic hybrid systems based on deep eutectic solvents.

The interactions of three deep eutectic solvents (DES) choline chloride-glycerol (ChCl-GLY), ChCl-lactic acid (ChCl-LA) and ChCl-urea (ChCl-U) with cellulose-hemicellulose and cellulose-lignin hybrid systems were investigated using the simulated computational approach. Aiming to simulate DES pretreatment of real lignocellulosic biomass in nature. DES pretreatment could disrupt the original hydrogen bonding network structure among the lignocellulosic components and reconstruct the new DES-lignocellulosic hydrogen bonding network structure. ChCl-U had the highest intensity of action on the hybrid systems, removing 78.3% of the hydrogen bonds between cellulose-4-O-methyl Gluconic acid xylan (cellulose-Gxyl) and 68.4% of the hydrogen bonds between cellulose-Veratrylglycerol-b-guaiacyl ether (cellulose-VG), respectively. The increase of urea content facilitated the interaction between DES and lignocellulosic blend system. Finally, the addition of appropriate water (DES:H2O = 1:5) and DES formed the new DES-water hydrogen bonding network structure more favorable for the interaction of DES with lignocellulose.

Theoretical study of lactic acid-based deep eutectic solvents dissociation of hemicellulose with different hydrogen bonding acceptors.

This paper explored the mechanism of dissociation of hemicellulose using lactic acid (LA)-based deep eutectic solvents (DESs) synthesized with different hydrogen bond acceptors (HBAs) via simulations. Density functional theory (DFT) calculations and molecular dynamics (MD) simulations revealed that DESs synthesized with guanidine hydrochloride (GuHCl) as hydrogen bond acceptor (HBA) demonstrated better hemicellulose solubilization compared to the conventional DESs synthesized using choline chloride (ChCl) as HBA. The best interaction with hemicellulose was achieved at GuHCl:LA = 1:1. The results showed that CL- played a dominant role in the dissolution of hemicellulose by DESs. Unlike ChCl, the guanidine group in GuHCl had the delocalized π bond, which made CL- have stronger coordination ability and promoted dissolution of hemicellulose by DESs. Moreover, multivariable analysis was employed to establish the correlation between the effects of different DESs on hemicellulose and the molecular simulation results. Additionally, the influence of different HBAs functional groups and carbon chain length on the solubilization of hemicellulose by DESs were analyzed.

Advances in machine learning for high value-added applications of lignocellulosic biomass.

Lignocellulose can be converted into biofuel or functional materials to achieve high value-added utilization. Biomass utilization process is complex and multi-dimensional. This paper focuses on the biomass conversion reaction conditions, the preparation of biomass-based functional materials, the combination of biomass conversion and traditional wet chemistry, molecular simulation and process simulation. This paper analyzes the mechanism, advantages and disadvantages of important machine learning (ML) methods. The application examples of ML in different aspects of high value utilization of lignocellulose are summarized in detail. The challenges and future prospects of ML in this field are analyzed.

Green and Superior Adsorbents Derived from Natural Plant Gums for Removal of Contaminants: A Review.

The ubiquitous presence of contaminants in water poses a major threat to the safety of ecosystems and human health, and so more materials or technologies are urgently needed to eliminate pollutants. Polymer materials have shown significant advantages over most other adsorption materials in the decontamination of wastewater by virtue of their relatively high adsorption capacity and fast adsorption rate. In recent years, "green development" has become the focus of global attention, and the environmental friendliness of materials themselves has been concerned. Therefore, natural polymers-derived materials are favored in the purification of wastewater due to their unique advantages of being renewable, low cost and environmentally friendly. Among them, natural plant gums show great potential in the synthesis of environmentally friendly polymer adsorption materials due to their rich sources, diverse structures and properties, as well as their renewable, non-toxic and biocompatible advantages. Natural plant gums can be easily modified by facile derivatization or a graft polymerization reaction to enhance the inherent properties or introduce new functions, thus obtaining new adsorption materials for the efficient purification of wastewater. This paper summarized the research progress on the fabrication of various gums-based adsorbents and their application in the decontamination of different types of pollutants. The general synthesis mechanism of gums-based adsorbents, and the adsorption mechanism of the adsorbent for different types of pollutants were also discussed. This paper was aimed at providing a reference for the design and development of more cost-effective and environmentally friendly water purification materials.