Natural rubber is a biopolymer with unique features widely used in many industrial applications. It is composed mainly by large high-molecular-weight polymeric chains of cis-1,4-polyisoprene with distinct α-terminal groups, which are thought to give natural rubber its specific features. The second most abundant molecule in natural rubber is L-quebrachitol, a cyclic polyol which function is not clear. Here we studied using atomistic simulations the interaction of L-quebrachitol with the hydrophobic natural rubber and its interaction with specific α-terminal groups, suggesting it binds preferentially with specific α-terminal groups.
- Joan Gimenez-Dejoz
- Katsuhiko Tsunoda
- Keiji Numata