Glycolysis-compatible urethanases for polyurethane recycling
Yanchun Chen, Jinyuan Sun, Kelun Shi, Tong Zhu, Ruifeng Li, Ruiqiao Li, Xiaomeng Liu, Xinying Xie 等 14 位
Chinese Academy of Sciences Beijing University of Chemical Technology University of Chinese Academy of Sciences Institute of Process Engineering
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摘要与影响
Recycling thermoset polyurethanes is hindered by their cross-linked structures and chemically stable urethane bonds. Although chemo-enzymatic approaches offer promise, known urethanases remain inefficient under industrial glycolysis conditions. Here, we present GRASE [graph neural network (GNN)–based recommendation of active and stable enzymes], a GNN-based framework that integrates self-supervised and supervised learning to identify efficient, glycolysis-compatible urethanases. Among these, Ab PURase exhibited two orders of magnitude greater activity than previously known enzymes in 6 molar diethylene glycol, enabling near-complete depolymerization of commercial polyurethane at kilogram scale within 8 hours. Structural analysis revealed that a tightly packed hydrophobic core and proline-stabilized lid loop may confer Ab PURase’s stability and efficiency in harsh solvents. This work highlights how deep learning accelerates the discovery of biocatalysts with industrial potential and addresses a critical barrier in polyurethane recycling.
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材料 / 化学Polymer composites and self-healing
Carbon dioxide utilization in catalysis · biodegradable polymer synthesis and properties
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