Novel lignin polymerization pathway leading to branching in the structure

Abstract

The chemical structure of lignin has been shrouded in controversies, with a particularly prevalent issue pertaining to the degree of branching in it. The present work computationally demonstrates that the predominant β-O-4 linkage comprising lignin can act as a branching point via an α-O-γ lignin linkage, altering how the community thinks of the lignin structure from a fundamental and valorization perspective.