Dissecting force interactions in cellulose deconstruction reveals the required solvent versatility for overcoming biomass recalcitrance.

@article{Cho2011DissectingFI,
  title={Dissecting force interactions in cellulose deconstruction reveals the required solvent versatility for overcoming biomass recalcitrance.},
  author={Hyung Min Cho and Adam S Gross and Jhih-Wei Chu},
  journal={Journal of the American Chemical Society},
  year={2011},
  volume={133 35},
  pages={14033-41}
}
Pretreatment for deconstructing the multifaceted interaction network in crystalline cellulose is a limiting step in making fuels from lignocellulosic biomass. Not soluble in water and most organic solvents, cellulose was found to dissolve in certain classes of ionic liquids (ILs). To elucidate the underlying mechanisms, we simulated cellulose deconstruction by peeling off an 11-residue glucan chain from a cellulose microfibril and computed the free-energy profile in water and in 1-butyl-3… CONTINUE READING