BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > Educational resources > Journal club
Advanced Search



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 04-06-2014, 02:01 AM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 19,990
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default Mechanism of dilute-spin-exchange in solid-state NMR.

Mechanism of dilute-spin-exchange in solid-state NMR.

Mechanism of dilute-spin-exchange in solid-state NMR.

J Chem Phys. 2014 Mar 28;140(12):124201

Authors: Lu GJ, Opella SJ

Abstract
In the stationary, aligned samples used in oriented sample (OS) solid-state NMR, (1)H-(1)H homonuclear dipolar couplings are not attenuated as they are in magic angle spinning solid-state NMR; consequently, they are available for participation in dipolar coupling-based spin-exchange processes. Here we describe analytically the pathways of (15)N-(15)N spin-exchange mediated by (1)H-(1)H homonuclear dipolar couplings. The mixed-order proton-relay mechanism can be differentiated from the third spin assisted recoupling mechanism by setting the (1)H to an off-resonance frequency so that it is at the "magic angle" during the spin-exchange interval in the experiment, since the "magic angle" irradiation nearly quenches the former but only slightly attenuates the latter. Experimental spectra from a single crystal of N-acetyl leucine confirm that this proton-relay mechanism plays the dominant role in (15)N-(15)N dilute-spin-exchange in OS solid-state NMR in crystalline samples. Remarkably, the "forbidden" spin-exchange condition under "magic angle" irradiation results in (15)N-(15)N cross-peaks intensities that are comparable to those observed with on-resonance irradiation in applications to proteins. The mechanism of the proton relay in dilute-spin-exchange is crucial for the design of polarization transfer experiments.


PMID: 24697432 [PubMed - in process]



More...
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[NMR paper] Asymmetric simultaneous phase-inversion cross-polarization in solid-state MAS NMR: Relaxing selective polarization transfer condition between two dilute spins.
Asymmetric simultaneous phase-inversion cross-polarization in solid-state MAS NMR: Relaxing selective polarization transfer condition between two dilute spins. Related Articles Asymmetric simultaneous phase-inversion cross-polarization in solid-state MAS NMR: Relaxing selective polarization transfer condition between two dilute spins. J Magn Reson. 2014 Mar 16;242C:214-219 Authors: Zhang Z, Fu R, Li J, Yang J Abstract Double cross polarization (DCP) has been widely used for heteronuclear polarization transfer between (13)C...
nmrlearner Journal club 0 04-03-2014 12:59 PM
Asymmetric simultaneous phase-inversion cross-polarization in solid-state MAS NMR: relaxing selective polarization transfer condition between two dilute spins
Asymmetric simultaneous phase-inversion cross-polarization in solid-state MAS NMR: relaxing selective polarization transfer condition between two dilute spins Publication date: Available online 16 March 2014 Source:Journal of Magnetic Resonance</br> Author(s): Zhengfeng Zhang , Riqiang Fu , Jianping Li , Jun Yang</br> Double cross polarization (DCP) has been widely used for heteronuclear polarization transfer between 13C and 15N in solid-state magic-angle spinning (MAS) NMR. However, DCP is such sensitive to experimental settings that small variations or...
nmrlearner Journal club 0 03-16-2014 04:09 PM
Structural factors controlling the spin-spin exchange coupling: EPR spectroscopic studies of highly asymmetric trityl-nitroxide biradicals
From The DNP-NMR Blog: Structural factors controlling the spin-spin exchange coupling: EPR spectroscopic studies of highly asymmetric trityl-nitroxide biradicals Liu, Y., et al., Structural factors controlling the spin-spin exchange coupling: EPR spectroscopic studies of highly asymmetric trityl-nitroxide biradicals. J Am Chem Soc, 2013. 135(6): p. 2350-6. http://www.ncbi.nlm.nih.gov/pubmed/23320522
nmrlearner News from NMR blogs 0 03-03-2014 04:55 PM
[NMR paper] Investigation of the mechanism of action of novel amphipathic peptides: Insights from solid-state NMR studies of oriented lipid bilayers.
Investigation of the mechanism of action of novel amphipathic peptides: Insights from solid-state NMR studies of oriented lipid bilayers. Related Articles Investigation of the mechanism of action of novel amphipathic peptides: Insights from solid-state NMR studies of oriented lipid bilayers. Biochim Biophys Acta. 2014 Feb 6; Authors: Fillion M, NoŽl M, Lorin A, Voyer N, Auger M Abstract We have investigated in the present study the effect of both non-selective and selective cationic 14-mer peptides on the lipid orientation of DMPC bilayers...
nmrlearner Journal club 0 02-11-2014 09:58 PM
Dual-band Selective Double Cross Polarization for Heteronuclear Polarization Transfer between Dilute Spins in Solid-State MAS NMR
Dual-band Selective Double Cross Polarization for Heteronuclear Polarization Transfer between Dilute Spins in Solid-State MAS NMR Publication year: 2012 Source:Journal of Magnetic Resonance</br> Zhengfeng Zhang, Yimin Miao, Xiaoli Liu, Jun Yang, Conggang Li, Feng Deng, Riqiang Fu</br> A sinusoidal modulation scheme is described for selective heteronuclear polarization transfer between two dilute spins in double cross polarization magic-angle-spinning nuclear magnetic resonance spectroscopy. During the second N->C cross polarization, the 13C RF amplitude is...
nmrlearner Journal club 0 03-09-2012 09:16 AM
Dual-band Selective Double Cross Polarization for Heteronuclear Polarization Transfer between Dilute Spins in Solid-State MAS NMR
Dual-band Selective Double Cross Polarization for Heteronuclear Polarization Transfer between Dilute Spins in Solid-State MAS NMR Publication year: 2012 Source: Journal of Magnetic Resonance, Available online 5 March 2012</br> Zhengfeng*Zhang, Yimin*Miao, Xiaoli*Liu, Jun*Yang, Conggang*Li, ...</br> A sinusoidal modulation scheme is described for selective heteronuclear polarization transfer between two dilute spins in double cross polarization magic-angle-spinning nuclear magnetic resonance spectroscopy. During the second N->C cross polarization, theC RF amplitude is modulated...
nmrlearner Journal club 0 03-06-2012 06:04 AM
Challenges in numerical simulations of solid-state NMR experiments: Spin exchange pulse sequences.
Challenges in numerical simulations of solid-state NMR experiments: Spin exchange pulse sequences. Challenges in numerical simulations of solid-state NMR experiments: Spin exchange pulse sequences. Solid State Nucl Magn Reson. 2011 Feb 1; Authors: Vosegaard T While simulations are essential for interpretation of solid-state NMR experiments, large spin systems involved in e.g. spin-diffusion experiments and/or dynamic effects like chemical exchange pose great challenges for the numerical simulations, where we typically want to include effects of...
nmrlearner Journal club 0 02-19-2011 06:02 PM
[NMR paper] Solid-state NMR studies of the mechanism of the opsin shift in the visual pigment rho
Solid-state NMR studies of the mechanism of the opsin shift in the visual pigment rhodopsin. Related Articles Solid-state NMR studies of the mechanism of the opsin shift in the visual pigment rhodopsin. Biochemistry. 1990 Sep 4;29(35):8158-64 Authors: Smith SO, Palings I, Miley ME, Courtin J, de Groot H, Lugtenburg J, Mathies RA, Griffin RG Solid-state 13C NMR spectra have been obtained of bovine rhodopsin and isorhodopsin regenerated with retinal selectively 13C labeled along the polyene chain. In rhodopsin, the chemical shifts for 13C-5,...
nmrlearner Journal club 0 08-21-2010 11:04 PM


Thread Tools Search this Thread
Search this Thread:

Advanced Search
Display Modes Rate This Thread
Rate This Thread:

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is On
Trackbacks are Off
Pingbacks are Off
Refbacks are Off



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2020, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 10:11 AM.


Map