Related Experiment Video
Updated: May 8, 2026

Towards Biomimicking Wood: Fabricated Free-standing Films of Nanocellulose, Lignin, and a Synthetic Polycation
Published on: June 17, 2014
Solvent-driven preferential association of lignin with regions of crystalline cellulose in molecular dynamics
Benjamin Lindner1, Loukas Petridis, Roland Schulz
1UT/ORNL Center for Molecular Biophysics, Oak Ridge National Laboratory , 1 Bethel Valley Road, Building 6011, Oak Ridge, Tennessee 37830-6309, United States.
Abstract:
The precipitation of lignin onto cellulose after pretreatment of lignocellulosic biomass is an obstacle to economically viable cellulosic ethanol production. Here, 750 ns nonequilibrium molecular dynamics simulations are reported of a system of lignin and cellulose in aqueous solution. Lignin is found to strongly associate with itself and the cellulose. However, noncrystalline regions of cellulose are observed to have a lower tendency to associate with lignin than crystalline regions, and this is found to arise from stronger hydration of the noncrystalline chains. The results suggest that the recalcitrance of crystalline cellulose to hydrolysis arises not only from the inaccessibility of inner fibers but also due to the promotion of lignin adhesion.
Related Concept Videos
Cellulose and Pectic Polysaccharides
As a cell matures, its cell wall specializes according to its type. For example, the parenchyma cells of...
Role of Microtubules in Cell Wall Deposition
Chemistry of Carbohydrates
Intermolecular Forces
Noncovalent Attractions in Biomolecules
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...
Noncovalent Attractions in Biomolecules
Four types of noncovalent interactions are hydrogen bonds, van der Waals forces, ionic bonds, and hydrophobic interactions.
Hydrogen bonding results from the electrostatic attraction of a hydrogen atom covalently bonded to a strong-electronegative atom like oxygen,...

