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.File | Dimensione | Formato | |
---|---|---|---|
1-s2.0-S0022309314004839-main.pdf
accesso aperto
Tipologia:
Pdf editoriale (Version of record)
Licenza:
Open Access
Dimensione
666.58 kB
Formato
Adobe PDF
|
666.58 kB | Adobe PDF |
I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.