The conversion of lignocellulose to biofuels is of great interest for production of alternatives to petroleum fuels. Strategies to increase lignocellulose digestibility typically involve chemical pretreatment to disrupt its structure and to expose surfaces for digestion by cellulases. Quasi-elastic neutron scattering measures the diffusive motions of hydrogen atoms on a pico- to nanosecond timescale and is used for characterizing water dynamics on surfaces. We report on measurements performed using deuterated bacterial cellulose equilibrated with H2O and on complementary molecular dynamics simulations. Deuterium-labeling of cellulose strongly attenuates its scattering signal revealing the scattering contribution of water associated with the fibers. It provides insight into the dynamics of water surrounding cellulose fibers with unprecedented detail. Knowledge of water dynamics and structure at cellulose surfaces is important to understand how pretreatment alters cellulose structure and how cellulases bind to cellulose interrupting hydrogen bonding between cellulose chains as a first step in cellulose hydrolysis.

Investigation of water dynamics in a model cellulosic system

245th National Meeting (2013)

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