Multi-scale computational screening and mechanistic insights of cyclic amines as solvents for improved lignocellulosic biomass processing

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Green Chem., 2025, Advance Article
DOI: 10.1039/D4GC05891G, Paper
Nikhil Kumar, Brian R. Taylor, Vallari Chourasia, Alberto Rodriguez, John M. Gladden, Blake A. Simmons, Hemant Choudhary, Kenneth L. Sale
A computational screening workflow for the efficient deconstruction of cellulose, lignin and hemicellulose fractions of lignocellulosic biomass using cyclic amines as solvents.
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