S. Mallick

In Silico Structure-Reactivity Analysis of Lignin-Derived Phenolics: O–H Bond Dissociation Enthalpies, Spin Delocalization, and a Propagator/Terminator Framework for Antifungal-Relevant Activity

Abstract Plant phenolics represent a prospective source of renewable antifungal drugs, yet the molecular mechanisms underlying their activity within the structurally varied phenolic components of natural products like wood vinegar remain ambiguous. Nine phenolic compounds from co...