The vibrational dynamics of protein hydration water has been studied by incoherent neutron scattering. Experiments on a sample of fully deuterated maltose binding protein allowed us to single out the hydration water susceptibility. The main inelastic features, corresponding to hydrogen-bond bending, hydrogen-bond stretching and librational excitations, have been followed over a temperature range extending from 50 to 300 K. It turns out that the temperature dependence of the hydrogen-bond stretching contribution is quite similar to that of the mean square displacements deduced by the quasielastic signal, thus suggesting a close relationship between the anharmonicity of longitudinal phonon-like motions and the onset of diffusive molecular dynamics. On the other hand, both hydrogen-bond bending and librational excitations show a temperature dependence consistent with a harmonic character over the whole temperature range.

Vibrational dynamics changes of protein hydration water across the dynamic transition / Paciaroni A.; Orecchini A.; Sebastiani F.; Capaccioli S.; Ngai K.L.; Moulin M.; Haertlein M.; Petrillo C.; Sacchetti F.. - In: JOURNAL OF NON-CRYSTALLINE SOLIDS. - ISSN 0022-3093. - STAMPA. - 407:(2015), pp. 465-471. [10.1016/j.jnoncrysol.2014.09.028]

Vibrational dynamics changes of protein hydration water across the dynamic transition

Sebastiani F.;
2015

Abstract

The vibrational dynamics of protein hydration water has been studied by incoherent neutron scattering. Experiments on a sample of fully deuterated maltose binding protein allowed us to single out the hydration water susceptibility. The main inelastic features, corresponding to hydrogen-bond bending, hydrogen-bond stretching and librational excitations, have been followed over a temperature range extending from 50 to 300 K. It turns out that the temperature dependence of the hydrogen-bond stretching contribution is quite similar to that of the mean square displacements deduced by the quasielastic signal, thus suggesting a close relationship between the anharmonicity of longitudinal phonon-like motions and the onset of diffusive molecular dynamics. On the other hand, both hydrogen-bond bending and librational excitations show a temperature dependence consistent with a harmonic character over the whole temperature range.
407
465
471
Paciaroni A.; Orecchini A.; Sebastiani F.; Capaccioli S.; Ngai K.L.; Moulin M.; Haertlein M.; Petrillo C.; Sacchetti F.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2158/1288236
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