聚氨酯
糖酵解
化学
生物化学
化学工程
新陈代谢
有机化学
工程类
作者
Chen Yanchun,Jinyuan Sun,Kelun Shi,Tong Zhu,Rui Feng Li,Ruiqiao Li,Xiaomeng Liu,Xinying Xie,Chao Ding,Wen‐Chao Geng,Jinwei Ren,Wenyu Shi,Yinglu Cui,Bian Wu
出处
期刊:Science
[American Association for the Advancement of Science]
日期:2025-10-30
卷期号:390 (6772): 503-509
标识
DOI:10.1126/science.adw4487
摘要
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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