Acetylation have been proposed to hinder fungal decay through reduced CMF reagent diffusion across the plant cell wall. Acetylated cell wall have also been observed to have slower ionic diffusion and ion uptake for Fe 3+ . Zelinka et al. measured a reduction of ≈10-15× for Fe 3+ uptake after 48 hours in acetylated wood at 20% WPG. The 1000 ns MD simulations carried out on secondary cell wall systems incorporating 18% WPG acetylation showcased a ≈10× reduction in Na + diffusion coefficients, which is right in line with prior experimental findings. Now, this is not the perfect analogy, as the cations and measurement techniques vary between this study and prior experiments, but capturing this change is a big step forward in our understanding to couple plant cell wall structure to macroscopic properties in wood.