聚氨酯
解聚
热固性聚合物
化学
材料科学
多元醇
工作(物理)
化学工程
比例(比率)
苏贝林
高分子科学
摩尔比
制浆造纸工业
海因
聚合
异氰酸酯
单体
降级(电信)
化学稳定性
芯(光纤)
有机化学
作者
Yanchun Chen,Jinyuan Sun,Kelun Shi,Tong Zhu,Ruifeng 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
被引量:21
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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