Quantum Mechanical Studies on Interaction of Carbohydrate with Nanomaterials

The interactions between the fragment of various nanotubes (NTs) and carbohydrate (β-D-glucose) has been investigated using quantum mechanical methods using different basis sets in gas phase. The most stable isomer of each complex favors multiple CH…π contacts which arise due to the orientation of the hydrophobic surface of the carbohydrate with reference to the curved or planar aromatic systems. The carbohydrate recognition surface of the aromatic system referred as "three point landing surface" are important in the stabilization of carbohydrate-π complexes.