Coherent and stochastic averaging in solid-state NMR.
J Magn Reson. 2014 Oct 6;249C:9-15
Authors: Nevzorov AA
Abstract
A new approach for calculating solid-state NMR lineshapes of uniaxially rotating membrane proteins under the magic-angle spinning conditions is presented. The use of stochastic Liouville equation (SLE) allows one to account for both coherent sample rotation and stochastic motional averaging of the spherical dipolar powder patterns by uniaxial diffusion of the spin-bearing molecules. The method is illustrated via simulations of the dipolar powder patterns of rigid samples under the MAS conditions, as well as the recent method of rotational alignment in the presence of both MAS and rotational diffusion under the conditions of dipolar recoupling. It has been found that it is computationally more advantageous to employ direct integration over a spherical grid rather than to use a full angular basis set for the SLE solution. Accuracy estimates for the bond angles measured from the recoupled amide (1)H-(15)N dipolar powder patterns have been obtained at various rotational diffusion coefficients. It has been shown that the rotational alignment method is applicable to membrane proteins approximated as cylinders with radii of approximately 20Ĺ, for which uniaxial rotational diffusion within the bilayer is sufficiently fast and exceeds the rate 2×10(5)s(-1).
PMID: 25462941 [PubMed - as supplied by publisher]
Spin-State-Selective Methods in Solution- and Solid-State Biomolecular 13C NMR
Spin-State-Selective Methods in Solution- and Solid-State Biomolecular 13C NMR
Publication date: Available online 1 November 2014
Source:Progress in Nuclear Magnetic Resonance Spectroscopy</br>
Author(s): Isabella C. Felli , Roberta Pierattelli</br>
Spin-state-selective methods to achieve homonuclear decoupling in the direct acquisition dimension of 13C detected NMR experiments have been one of the key contributors to converting 13C detected NMR experiments into really useful tools for studying biomolecules. We discuss here in detail the various methods that have...
nmrlearner
Journal club
0
11-02-2014 03:51 PM
Coherent Polarization Transfer Effects Are Crucial for Interpreting Low-Field CIDNP Data
From The DNP-NMR Blog:
Coherent Polarization Transfer Effects Are Crucial for Interpreting Low-Field CIDNP Data
Panov, M., et al., Coherent Polarization Transfer Effects Are Crucial for Interpreting Low-Field CIDNP Data. Appl. Magn. Reson., 2014. 45(9): p. 893-900.
http://dx.doi.org/10.1007/s00723-014-0568-9
nmrlearner
News from NMR blogs
0
10-13-2014 04:08 PM
[NMR paper] Coherent and Stochastic Averaging in Solid-State NMR
Coherent and Stochastic Averaging in Solid-State NMR
Publication date: Available online 6 October 2014
Source:Journal of Magnetic Resonance</br>
Author(s): Alexander A. Nevzorov</br>
A new approach for calculating solid-state NMR lineshapes of uniaxially rotating membrane proteins under the magic-angle spinning conditions is presented. The use of stochastic Liouville equation (SLE) allows one to account for both coherent sample rotation and stochastic motional averaging of the spherical dipolar powder patterns by uniaxial diffusion of the spin-bearing molecules. The...
nmrlearner
Journal club
0
10-07-2014 02:15 AM
Evidence for Coherent Transfer of para-Hydrogen-Induced Polarization at Low Magnetic Fields
From The DNP-NMR Blog:
Evidence for Coherent Transfer of para-Hydrogen-Induced Polarization at Low Magnetic Fields
Kiryutin, A.S., et al., Evidence for Coherent Transfer of para-Hydrogen-Induced Polarization at Low Magnetic Fields. The Journal of Physical Chemistry Letters, 2013. 4(15): p. 2514-2519.
http://dx.doi.org/10.1021/jz401210m
nmrlearner
News from NMR blogs
0
11-21-2013 01:14 AM
[NMR paper] Asymmetric doublets in MAS NMR: coherent and incoherent mechanisms.
Asymmetric doublets in MAS NMR: coherent and incoherent mechanisms.
Related Articles Asymmetric doublets in MAS NMR: coherent and incoherent mechanisms.
Magn Reson Chem. 2007 Dec;45 Suppl 1:S161-73
Authors: Skrynnikov NR
Abstract
It has been long noted that J-resolved doublets observed in solid-state MAS experiments are asymmetric. The asymmetry has been attributed to a coherent interference effect involving dipolar and CSA interactions. Recently, Bernd Reif and co-workers suggested that under fast MAS conditions the coherent portion...
nmrlearner
Journal club
0
04-03-2013 08:22 PM
Revealing Protein Structures in Solid-Phase Peptide Synthesis by 13C Solid-State NMR: Evidence of Excessive Misfolding for Alzheimer’s ?
Revealing Protein Structures in Solid-Phase Peptide Synthesis by 13C Solid-State NMR: Evidence of Excessive Misfolding for Alzheimer’s ?
Songlin Wang and Yoshitaka Ishii
http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja212190z/aop/images/medium/ja-2011-12190z_0002.gif
Journal of the American Chemical Society
DOI: 10.1021/ja212190z
http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA
http://feeds.feedburner.com/~r/acs/jacsat/~4/6EE7uthrnLg
[NMR paper] Solid-state NMR studies of the membrane-bound closed state of the colicin E1 channel
Solid-state NMR studies of the membrane-bound closed state of the colicin E1 channel domain in lipid bilayers.
Related Articles Solid-state NMR studies of the membrane-bound closed state of the colicin E1 channel domain in lipid bilayers.
Protein Sci. 1998 Feb;7(2):342-8
Authors: Kim Y, Valentine K, Opella SJ, Schendel SL, Cramer WA
The colicin E1 channel polypeptide was shown to be organized anisotropically in membranes by solid-state NMR analysis of samples of uniformly 15N-labeled protein in oriented planar phospholipid bilayers. The 190...
Coherent and stochastic averaging in solid-state NMR.
Linear Mode
