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

Go Back   BioNMR > NMR community > News from NMR blogs
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 02-19-2016, 10:39 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 23,644
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 The effect of Gd on trityl-based dynamic nuclear polarisation in solids

From The DNP-NMR Blog:

The effect of Gd on trityl-based dynamic nuclear polarisation in solids


Ravera, E., et al., The effect of Gd on trityl-based dynamic nuclear polarisation in solids. Phys Chem Chem Phys, 2015. 17(40): p. 26969-78.


http://www.ncbi.nlm.nih.gov/pubmed/26403358


In dynamic nuclear polarisation (DNP) experiments performed under static conditions at 1.4 K we show that the presence of 1 mM Gd(iii)-DOTAREM increases the (13)C polarisation and decreases the (13)C polarisation buildup time of (13)C-urea dissolved in samples containing water/DMSO mixtures with trityl radical (OX063) concentrations of 10 mM or higher. To account for these observations further measurements were carried out at 6.5 K, using a combined EPR and NMR spectrometer. At this temperature, frequency swept DNP spectra of samples with 5 or 10 mM OX063 were measured, with and without 1 mM Gd-DOTA, and again a (13)C enhancement gain was observed due to the presence of Gd-DOTA. These measurements were complemented by electron-electron double resonance (ELDOR) measurements to quantitate the effect of electron spectral diffusion (eSD) on the DNP enhancements and lineshapes. Simulations of the ELDOR spectra were done using the following parameters: (i) a parameter defining the rate of the eSD process, (ii) an "effective electron-proton anisotropic hyperfine interaction parameter", and (iii) the transverse electron spin relaxation time of OX063. These parameters, together with the longitudinal electron spin relaxation time, measured by EPR, were used to calculate the frequency profile of electron polarisation. This, in turn, was used to calculate two basic solid effect (SE) and indirect cross effect (iCE) DNP spectra. A properly weighted combination of these two normalized DNP spectra provided a very good fit of the experimental DNP spectra. The best fit simulation parameters reveal that the addition of Gd(iii)-DOTA causes an increase in both the SE and the iCE contributions by similar amounts, and that the increase in the overall DNP enhancements is a result of narrowing of the ELDOR spectra (increased electron polarisation gradient across the EPR line). These changes in the electron depolarisation profile are a combined result of shortening of the longitudinal and transverse electron spin relaxation times, as well as an increase in the eSD rate and in the effective electron-proton anisotropic hyperfine interaction parameter.


Go to The DNP-NMR Blog for more info.
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
The effect of Gd on trityl-based dynamic nuclear polarisation in solids
From The DNP-NMR Blog: The effect of Gd on trityl-based dynamic nuclear polarisation in solids Ravera, E., et al., The effect of Gd on trityl-based dynamic nuclear polarisation in solids. Phys Chem Chem Phys, 2015. 17(40): p. 26969-78. http://www.ncbi.nlm.nih.gov/pubmed/26403358
nmrlearner News from NMR blogs 0 10-26-2015 10:05 PM
Efficient Dynamic Nuclear Polarization at 800 MHz/527 GHz with Trityl-Nitroxide Biradicals
From The DNP-NMR Blog: Efficient Dynamic Nuclear Polarization at 800 MHz/527 GHz with Trityl-Nitroxide Biradicals Mathies, G., et al., Efficient Dynamic Nuclear Polarization at 800 MHz/527 GHz with Trityl-Nitroxide Biradicals. Angew Chem Int Ed Engl, 2015: p. n/a-n/a. http://www.ncbi.nlm.nih.gov/pubmed/26268156
nmrlearner News from NMR blogs 0 08-31-2015 09:39 PM
Self-assembled trityl radical capsules--implications for dynamic nuclear polarization
From The DNP-NMR Blog: Self-assembled trityl radical capsules--implications for dynamic nuclear polarization Marin-Montesinos, I., et al., Self-assembled trityl radical capsules--implications for dynamic nuclear polarization. Phys Chem Chem Phys, 2015. 17(8): p. 5785-94. http://www.ncbi.nlm.nih.gov/pubmed/25626422
nmrlearner News from NMR blogs 0 04-29-2015 03:49 PM
[NMR] Marie Sk?odowska-Curie Fellow – Dynamic Nuclear Polarisation NMR Spectroscopy
From The DNP-NMR Blog: Marie Sk?odowska-Curie Fellow – Dynamic Nuclear Polarisation NMR Spectroscopy From the Ampere Magnetic Resonance List Marie Sk?odowska-Curie Fellow – Dynamic Nuclear Polarisation NMR Spectroscopy
nmrlearner News from NMR blogs 0 03-31-2015 06:18 AM
Dynamic nuclear polarisation NMR of nanosized zirconium phosphate polymer fillers
From The DNP-NMR Blog: Dynamic nuclear polarisation NMR of nanosized zirconium phosphate polymer fillers Ziarelli, F., et al., Dynamic nuclear polarisation NMR of nanosized zirconium phosphate polymer fillers. Chemical Communications, 2014. 50(70): p. 10137-10139. http://dx.doi.org/10.1039/C4CC02723J
nmrlearner News from NMR blogs 0 08-09-2014 05:20 AM
Static (1)H dynamic nuclear polarization with the biradical TOTAPOL: a transition between the solid effect and the cross effect
From The DNP-NMR Blog: Static (1)H dynamic nuclear polarization with the biradical TOTAPOL: a transition between the solid effect and the cross effect Shimon, D., et al., Static (1)H dynamic nuclear polarization with the biradical TOTAPOL: a transition between the solid effect and the cross effect. Phys Chem Chem Phys, 2014. 16(14): p. 6687-99. http://www.ncbi.nlm.nih.gov/pubmed/24585094
nmrlearner News from NMR blogs 0 06-04-2014 03:22 PM
Dynamic nuclear polarisation enhanced 14N overtone MAS NMR spectroscopy
From The DNP-NMR Blog: Dynamic nuclear polarisation enhanced 14N overtone MAS NMR spectroscopy Rossini, A., L. Emsley, and L.A. O'Dell, Dynamic nuclear polarisation enhanced 14N overtone MAS NMR spectroscopy. Phys. Chem. Chem. Phys., 2014. http://dx.doi.org/10.1039/C4CP00590B
nmrlearner News from NMR blogs 0 05-16-2014 08:06 PM
The interplay between the solid effect and the cross effect mechanisms in solid state 13C DNP at 95 GHz using trityl radicals
From The DNP-NMR Blog: The interplay between the solid effect and the cross effect mechanisms in solid state 13C DNP at 95 GHz using trityl radicals Banerjee, D., et al., The interplay between the solid effect and the cross effect mechanisms in solid state 13C DNP at 95 GHz using trityl radicals. J. Magn. Reson., 2013. 230(0): p. 212-219. http://dx.doi.org/10.1016/j.jmr.2013.02.010
nmrlearner News from NMR blogs 0 05-07-2013 12:31 AM


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 Off
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 - 2024, 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 05:39 PM.


Map