A 3-DIMENSIONAL MODEL FOR LIGNOCELLULOSE FROM GYMNOSPERMOUS WOOD

The three-dimensional characteristics of lignocellulose complexes are examined by the use of molecular mechanics and dynamics. The model created is composed of cellulose, hemicellulose, and lignin as would be present in gymnospermous wood tracheids. Molecular mechanics and dynamics show that the hemicellulose is hydrogen bonded and oriented parallel to the cellulose microfibrils. Energy minimization of lignin unite linked by the major lignin type bond reveals a helical structure. On the basis of these findings we propose a model for three-dimensional organization of lignocellulose.