Single-particle dynamics of hydration water in protein

Bellissent-Funel, Marie-Claire; Teixeira, J.; Bradley, K.F.; Chen, S.H.; Crespi, Henry L.

doi:10.1016/0921-4526(92)90453-y

Cited by 52 publications

(32 citation statements)

References 11 publications

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“…9 Thus, we attribute the increase of the diffusion lifetime T 2 to the growing hydration shell of water molecules H bonded to the gelatin molecules, when the concentration of the gelatin increases. 49 The effect is equivalent to the enhancement of the medium viscosity, which results in a longer single molecule Stokes-Debye diffusion time, in agreement with the arguments given by Winkler et al 44 On the other hand we can observe ͑see modes of the tetrahedral structure. 38 These are vibrations observed in Raman spectra of bulk water; 34,35 i.e., a triply degenerate asymmetric H-bond stretching vibration of frequency 170 cm −1 , a triply degenerate H-bond bending vibration of frequency 60 cm −1 , and three rotational vibrations around molecular axes of symmetry of frequencies 420, 530, and 720 cm −1 .…”

Section: Resultssupporting

confidence: 77%

“…In 20% gel it is more than twice longer than that in the bulk. Such a lowering of the mobility of water molecules has been observed in vicinity of proteins [1][2][3]23 and in intracellular water. 9 Thus, we attribute the increase of the diffusion lifetime T 2 to the growing hydration shell of water molecules H bonded to the gelatin molecules, when the concentration of the gelatin increases.…”

Section: Resultsmentioning

confidence: 96%

“…In particular, water deserves a special attention due to a crucial role that it plays in our everyday life. There is a number of experimental [1][2][3][16][17][18]23 and theoretical [19][20][21][22][23][24][25] papers treating water near interfaces and in small nanopores, mainly in vycor glass 1,2 and other porous silicas, 6,7,11 but also in vicinity of proteins, 3,16,17 in biological cells, 9,10 and quite recently in carbon nanotubes. 13 They all have shown that the dynamics of water is significantly perturbed by the interaction with hydrophilic or hydrophobic substrates at various levels of hydration.…”

Section: Introductionmentioning

confidence: 99%

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Ultrafast optical Kerr effect spectroscopy of water confined in nanopores of the gelatin gel

Ratajska-Gadomska

Białkowski

Gadomski

et al. 2007

The Journal of Chemical Physics

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We report on the investigation of a short-time collective dynamics of water confined in the pores of the gelatin gel, using the femtosecond optical Kerr effect spectroscopy. The ultrafast responses of water molecules obtained in bulk liquid and in three concentrations of gelatin gels are explained theoretically, both in a long time and in a short time regime, taking into account all molecular motions. We prove that the contribution of molecules involved in tetrahedral, strongly H-bonded structures stabilizing the gel network increases with the gel concentration. On the other hand the long-time relaxation of water molecules is significantly slowed down in the gel pores.

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Section: Resultssupporting

confidence: 77%

Section: Resultsmentioning

confidence: 96%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Ultrafast optical Kerr effect spectroscopy of water confined in nanopores of the gelatin gel

Ratajska-Gadomska

Białkowski

Gadomski

et al. 2007

The Journal of Chemical Physics

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“…As mentioned previously, H atoms have a very high cross section for incoherent scattering. The incoherent quasi-elastic scattering signal will consequently only contain information about the single-particle motion of the H atoms, and it is thus very well suited for the analysis of the water-molecule dynamics (Bellissent-Funel et al, 1992).…”

Section: Structural Disorder and Dynamicsmentioning

confidence: 99%

Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme

Bon

Lehmann

Wilkinson

1999

Acta Crystallogr D Biol Cryst

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Triclinic crystals of lysozyme, hydrogen-deuterium exchanged in deuterated solvent, have been studied using neutron quasi-Laue techniques and a newly developed cylinder image-plate detector. The wavelength range employed was from 2.7 to 3.5 A, which gave 9426 significant reflections [F >/= 2sigma(F)] to a resolution limit of 1. 7 A. The deuteration states of the H atoms in the protein molecule were identified, followed by an extensive analysis of the water structure surrounding the protein. The final R factor was 20.4% (Rfree = 22.1%). In total, the 244 observed water molecules form approximately one layer of water around the protein with far fewer water molecules located further away. Water molecules covering the apolar patches make tangential layers at 4-5 A from the surface or form C-H...O contacts, and several water-molecule sites can be identified in the apolar cavities. Many of the water molecules are apparently orientationally disordered, and only 115 out of the 244 water molecules sit in mean single orientations. Comparison of these results with quasi-elastic neutron scattering observations of the water dynamics leads to a picture of the water molecules forming an extended constantly fluctuating network covering the protein surface.

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“…Some of the deuterium atoms can exchange with the hydrogens of water due to their low binding energy. The preparation of the samples is done by immersion in water [6] or exposition for several hours over a bath of water [9] and the hydration level is controlled by weighing after controlled heating of the wet samples [6]. The preparation of the samples is done by immersion in water [6] or exposition for several hours over a bath of water [9] and the hydration level is controlled by weighing after controlled heating of the wet samples [6].…”

Section: -E X P E R I M E N T a Lmentioning

confidence: 99%

The dynamics of water in small volumes probed by incoherent quasi-elastic neutron scattering

Teixeira

1994

Nouv Cim D

Self Cite

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ricevuto il 28 Ottobre 1994)Summary. --The dynamics of water molecules occupying very small volumes can be probed by incoherent quasi-elastic neutron scattering. We summarise some results obtained with wet samples of porous silica and hydrated proteins. The movements of the molecules in the vicinity of the substrate are extremely reduced as compared to those of bulk water at the same temperature. Almost only rotational movements subsist and the local diffusion is of the order of that observed in deeply supercooled water.

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Single-particle dynamics of hydration water in protein

Cited by 52 publications

References 11 publications

Ultrafast optical Kerr effect spectroscopy of water confined in nanopores of the gelatin gel

Ultrafast optical Kerr effect spectroscopy of water confined in nanopores of the gelatin gel

Quasi-Laue neutron-diffraction study of the water arrangement in crystals of triclinic hen egg-white lysozyme

The dynamics of water in small volumes probed by incoherent quasi-elastic neutron scattering

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