Computational investigation of the electronic and energetic landscape of the scytonemin-glucose complex

Scytonemin plays a vital role in cellular protection, as a primary UV-dissipating agent found within the cyanobacterial polysaccharide frameworks. It has attracted significant interest in its potential application in sunscreens, cosmetics, and materials science. This paper explores the unexplored intermolecular interactions of scytonemin within the extracellular polysaccharide (EPS) sheath and lipopolysaccharide (LPS) framework. Specifically, the interactions of scytonemin with β-D-glucose, a common component of the EPS/LPS.