Water molecule dynamics in hydrated lysozyme. A deuteron magnetic resonance study

Peemoeller, H.; Yeomans, F.G.; Kydon, D. W.; Sharp, A. R.

doi:10.1016/s0006-3495(86)83722-5

Cited by 28 publications

(14 citation statements)

References 19 publications

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“…The correlation time for the fast reorientation of the water molecules about the hydrogen bond axis is 5 x 10-10 < Tr < 8 x 10-9 s. While Tr is about three orders of magnitude slower than the correlation time for bulk water motion, the correlation time for the tumbling of the water molecules (1.5 x 10-7 < Tt < 8 x 10 -7 S) iS about five orders of magnitude slower than that of bulk water. These values agree with previous estimates from hydrated macromolecular systems (22,43,46).…”

Section: Discussionsupporting

confidence: 92%

“…The values of the tumbling and fast reorientation correlation times reported in this work have been confirmed by T1, dispersion measurements on low hydration NaDNa in which it has been found that the Tl, of the water protons is nondispersive (35). These values for the correlation times also agree with those determined in studies on hydrated biopolymers with similar water contents (22,43,46).…”

Section: Implications Of Neglecting Cross-relaxationsupporting

confidence: 86%

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NMR spin grouping and correlation exchange analysis. Application to low hydration NaDNA paracrystals

Schreiner¹,

MacTavish²,

Pintar³

et al. 1991

Biophysical Journal

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The NMR spin-grouping technique is applied to low hydration oriented fibers of NaDNA to study the role of exchange in determining the apparent (observed) spin relaxation of the system. The analysis proceeds in three steps: first, the apparent proton relaxation is measured at high fields, with both selective and nonselective inversion pulse sequences, and in the rotating frame. The spin-grouping technique is used in all spin-lattice relaxation measurements to provide the optimum apparent relaxation characterization of the sample. Next, all apparent results are analyzed for exchange. In this analysis the results from the high field and rotating frame experiments (which probe the exchange at two different time scales) are correlated to determine the inherent (or true) spin relaxation parameters of each of the proton groups in the system. The results of selective inversion T1 measurements are also incorporated into the exchange analysis. Finally, the dynamics of each spin group are inferred from the inherent relaxation characterization. The low hydration NaDNA structure is such that the exchange between the protons on the water and those on the NaDNA is limited, a priori, to dipolar mixing. The results of the exchange analysis indicate that the dipolar mixing between water and NaDNA protons is faster than the spin diffusion within the NaDNA proton group itself. The spin-diffusion on the macromolecule is the bottleneck for the exchange between the water protons and the NaDNA protons. The water protons serve as the relaxation sink both at high fields and in the rotating frame for the total NaDNA-water spin bath. The inherent relaxation of the water is characteristic of water undergoing anisotropic motion with a fast reorientational correlation time about one axis (5 X 10(-10) less than or equal to tau r less than or equal to 8 X 10(-9)S) which is about three orders of magnitude slower than that of water in the bulk; and a slow tumbling correlation time for this axis (1.5 x 10(-7) less than or equal to tau t less than or equal to 8 x 10(-7)S) which is two orders of magnitude slower yet.

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Section: Discussionsupporting

confidence: 92%

Section: Implications Of Neglecting Cross-relaxationsupporting

confidence: 86%

NMR spin grouping and correlation exchange analysis. Application to low hydration NaDNA paracrystals

Schreiner¹,

MacTavish²,

Pintar³

et al. 1991

Biophysical Journal

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“…It has been shown (Peemoeller et al 1986;Schreiner et al 1991) that the water molecule residence time at hydration sites in polymer powders is expected to be less than a microsecond. It is not unreasonable to expect a similar result for water in wood.…”

Section: Discussionmentioning

confidence: 99%

Cluster theory for water sorption in wood

1992

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A review of water interaction in cellulosic-systems, particularly wood, is presented.Discussed are the different states of water in these systems according to Nuclear Magnetic Resonance results, the BET, Dent, and Hailwood and Horrobin sorption isotherm models. The discussion includes details of water structure, and, conformational analysis of cellulose crystals and amorphous cellulose. The water cluster theory is used to more adequately explain the sigrnoid curve of the wood isotherm.

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“…In the following NMR studies [46,47] of hydrated HEWL powder it was shown that the water of hydration undergoes anisotropic motion. For purposes of the present discussion we assume that a small fraction fwb (not necessarily the same as the one considered above) of water molecules undergoes anisotropic motion while attached to the HEWL molecule via hydrogen bonds for a time at least as long as the protein tumbling time.…”

Section: Model For Water Molecule Dynamics In Hewl Solutionsmentioning

confidence: 99%

Proton and Deuteron Relaxation Study of Molecular Dynamics in Lysozyme Solutions

et al. 2000

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A nuclear magnetic resonance spin-lattice relaxation dispersion study of the relaxation of several magnetization components in both natural and deuterated lysozyme solutions was undertaken at 20°C. Proton and deuteron resonances were employed. The two-dimensional time evolution of the magnetization and the spin-spin relaxation were analyzed. In addition, an isotopic dilution study was performed at 5 and 30.6 MHz. The results indicate that the water proton spin-lattice relaxation rate which arises from intermolecular relaxation between the water protons and the lysozyme protons represents a relatively strong relaxation mechanism. A model for the dynamics of the water molecules, consistent with the proton and deuteron dispersions as well as with the isotopic dilution results, is presented.

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Water molecule dynamics in hydrated lysozyme. A deuteron magnetic resonance study

Cited by 28 publications

References 19 publications

NMR spin grouping and correlation exchange analysis. Application to low hydration NaDNA paracrystals

NMR spin grouping and correlation exchange analysis. Application to low hydration NaDNA paracrystals

Cluster theory for water sorption in wood

Proton and Deuteron Relaxation Study of Molecular Dynamics in Lysozyme Solutions

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