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GREEN CHEMISTRY · 2024 ·Vol. 26 ·期 13 ·7857-7868 · IF 9.3

Machine learning models accelerate deep eutectic solvent discovery for the recycling of lithium-ion battery cathodes

Fengyi Zhou,Dingyi Shi,Wenbo Mu,Shao Wang,Zeyu Wang,Chenyang Wei,Ruiqi Li,Tiancheng Mu

Deep eutectic solvents (DESs) have been widely applied to recover spent lithium-ion batteries (LIBs); however, developing effective and efficient systems for cathode leaching via the traditional trial-and-error method requires substantial efforts. This work aims to accelerate the discovery of novel promising DESs by leveraging the conditional Generative Adversarial Network (CGAN). Three databases were constructed: (i) DESs leaching cathodes, (ii) DESs leaching metal oxides, and (iii) DES properties. The absolute Spearman's rank correlation and agglomerative hierarchical clustering analysis ensured the selection of an optimal feature set for building predictive models. An XGBoost model was developed, achieving remarkable performance (R2 = 0.9702, MSE = 0.0007) in predicting cathode solubility in DESs. We employed the Shapley additive explanation (SHAP) method to quantify the importance of acidity, coordination, and reducibility of DESs and provide insights into further research. To accelerate time-consuming investigational procedures, a CGAN model was established, rapidly identifying promising DESs like ChCl : Glycolic acid, with excellent agreement between predictions and experimental results. This study offers a general data analysis framework for other metal oxides (e.g., CuxO, FexOy, ZnO) leaching using DESs, enabling accurate solubility prediction and deepening the understanding of cathode leaching mechanisms. The CGAN model significantly accelerates the development of a DES-based process for lithium-ion cathode recycling, saving development time and effort. Overall, this work facilitates the efficient discovery and development of effective DESs for the recovery of valuable metals from spent LIB cathodes.

CAS / MDL: 95-48-7 79-14-1
研究领域: 材料科学 · 化学工程 · 环境科学 · 数据科学 · 机器学习
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BIOMACROMOLECULES · 2025 · IF 5.4

Water-Activated Degradable Supramolecular Bioadhesive Powder for Underwater Tissue Adhesion and Wound Healing

Hongjian Huang,Zongxuan Huang,Shuichang Chen,Xiaoyu Yang,Hu Zhao,Qinhui Chen,Haiqing Liu

Traditional suturing and stapling demand surgical skill and risk additional trauma, whereas conventional tissue adhesives falter on wet surfaces. Inspired by cement curing, a water-activated bioadhesive powder (WABP) was developed in this work. WABP was a mixture of tannic acid-terminated poly(lipoic acid) (TA-PLA) and arginine (Arg), in which the TA-PLA was synthesized through the Michael addition reaction of PLA containing disulfide radicals with TA possessing a radical quenching effect. Upon hydration, the powder swiftly formed a self-assembled coacervate adhesive, which exhibited antiswelling properties in underwater environments, a result of the combined effects of hydrogen bonding, electrostatic interactions, and hydrophobic associations. The WABP, harnessing the attributes of both powder and coacervate adhesives, was adept at conforming to an irregular wound shape and delivered stable bioadhesive performance. It demonstrated superior wound healing capabilities, antibacterial properties, favorable cytocompatibility, and histocompatibility. This supramolecular WABP offers a simple, multifunctional alternative to sutures for biomedical applications.

研究领域: 生物医学工程 · 材料科学 · 组织工程 · 伤口护理 · 超分子化学
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