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

		BioNMR > Educational resources > Journal club
[NMR paper] Mechanism of dilute-spin-exchange in solid-state NMR.

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

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:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

04-06-2014, 02:01 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,777

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

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...

Did you find this post helpful?

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, Noël 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> ZhengfengZhang, YiminMiao, XiaoliLiu, JunYang, 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

« Previous Thread | Next 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