We discuss a phenomenon regarding water that was until recently a subject of scientific controversy, i.e.the dynamical crossover from fragile-to-strong glass-forming material, for both bulk and protein hydration water. Such a crossover is characterized by a temperature T L at which significant dynamical changes occur, such as violation of the StokesEinstein relation and changes of behaviour of homologous transport parameters such as the density relaxation time and the viscosity. In this respect we will consider carefully the dynamic properties of waterprotein systems. More precisely, we will study proteins and their hydration water as far as bulk and confined water. In order to clarify the controversy we will discuss in a comparative way many previous and new experimental data that have emerged using different techniques and molecular dynamic simulation (MD). We point out the reasons for the different dynamical findings from the use of different experimental techniques

The dynamical crossover phenomenon in bulk water, confined water and protein hydration water

Mallamace F;
2012

Abstract

We discuss a phenomenon regarding water that was until recently a subject of scientific controversy, i.e.the dynamical crossover from fragile-to-strong glass-forming material, for both bulk and protein hydration water. Such a crossover is characterized by a temperature T L at which significant dynamical changes occur, such as violation of the StokesEinstein relation and changes of behaviour of homologous transport parameters such as the density relaxation time and the viscosity. In this respect we will consider carefully the dynamic properties of waterprotein systems. More precisely, we will study proteins and their hydration water as far as bulk and confined water. In order to clarify the controversy we will discuss in a comparative way many previous and new experimental data that have emerged using different techniques and molecular dynamic simulation (MD). We point out the reasons for the different dynamical findings from the use of different experimental techniques
2012
Istituto per i Processi Chimico-Fisici - IPCF
Bulk water
Confined water
Density relaxation
Dynamic property
Dynamical crossover
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/231535
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