The molecular understanding of the chemistry of 1, 4‐β‐glucans is essential for designing
new approaches to the conversion of cellulose into platform chemicals and biofuels. In this …

N-Acetyllactosamine is a common saccharide motif found in various biologically active
glycans. This motif usually works as a backbone for additional modifications and thus …

Abstract Molecular Mechanics, Hartree–Fock, and semi-empirical geometry optimizations
were carried out on cellulose oligomers and crystallites with and without water solvation …

The approaches in this article seek to enhance understanding of cellulose at the molecular
level, independent of the source and the particular crystalline form of cellulose. Four main …

A full understanding of all possible elementary reactions applicable to cellulose fast
pyrolysis is key to develo** a comprehensive kinetic model for fast pyrolysis of cellulose …

The behavior of amorphous cellulose model thin films upon heat treatment is investigated.
Upon heat treatment, a structural rearrangement in the films from a featureless to a fibrillar …

Peptide–cellulose conjugates designed for use as optical protease sensors have gained
interest for point-of-care (POC) detection. Elevated serine protease levels are often found in …

The potential of residual dipolar couplings (RDCs) in conformational studies of small
molecules is now widely recognized, but current theoretical approaches for their …

The behaviors of cellulose chains and cellulose mini-crystal in oil-in-water emulsions were
studied by molecular dynamics simulations to investigate the coating states and the …

Shapes (conformations) of cellulose molecules are described by their glycosidic linkage
torsion angles ϕ and ψ. Although the torsions are known for cellulose in crystals, amorphous …