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Sensitivity of 2H NMR spectroscopy to motional models: Proteins and highly viscous liquids as examples
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10.1063/1.4730034
/content/aip/journal/jcp/136/24/10.1063/1.4730034
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/24/10.1063/1.4730034
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Figures

Image of FIG. 1.
FIG. 1.

2H NMR spectra (black lines) for Cδ D3 groups of leucine-69 in the chicken villin headpiece subdomain protein (HP36) in solid state taken from Ref. 15 reproduced in terms of free- and jump diffusion models: (a) T = 233 K, (b) T = 266 K, and (c) T = 298 K. For comparison the result of simple isotropic diffusion for 233 K is shown (dashed line).

Image of FIG. 2.
FIG. 2.

2H NMR spectra (black lines) for Cδ D3 groups of leucine-69 in the chicken villin headpiece subdomain protein (HP36) (Ref. 15) at 233 K, 266 K, and 298 K reproduced in terms of Gaussian- and Cole-Davidson distributions of correlation times for simple isotropic diffusion.

Image of FIG. 3.
FIG. 3.

Gaussian (G) and Cole-Davidson (CD) distributions for the widths obtained due to analysis of the 2H spectra for leucine-69 in the chicken villin headpiece subdomain protein (HP36) and of benzene-d6 in tricresyl phosphate.

Image of FIG. 4.
FIG. 4.

Experimental (black) and calculated (blue) 2H spectra for of benzene-d6 in tricresyl phosphate. Gaussian distribution of correlation times for simple rotational dynamics has been assumed. The experimental data are taken from Ref. 50. The parameters are as follows: 3e 2 qQ/4ℏ = 105 kHz; 208 K: τ0 = 30 μs, α = 1, 222 K: τ0 = 6 μs, α = 0.65, 225 K: τ0 = 2.4 μs, α = 0.55, 227 K: τ0 = 1.0 μs, α = 0.6, 230 K: τ0 = 0.85 μs, α = 1. For comparison, the result for Cole-Davidson (CD) distribution for 225 K and 227 K is shown (green lines). The parameters of the CD distribution are: 225 K: τ0 = 3.3 μs, β = 0.6, 227 K: τ0 = 1.0 μs, α = 0.55.

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/content/aip/journal/jcp/136/24/10.1063/1.4730034
2012-06-28
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Sensitivity of 2H NMR spectroscopy to motional models: Proteins and highly viscous liquids as examples
http://aip.metastore.ingenta.com/content/aip/journal/jcp/136/24/10.1063/1.4730034
10.1063/1.4730034
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