Continuous wave electron paramagnetic resonance of nitroxide biradicals in fluid solution

		BioNMR > NMR community > News from NMR blogs
Continuous wave electron paramagnetic resonance of nitroxide biradicals in fluid solution

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:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

06-29-2020, 03:22 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,175

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

Continuous wave electron paramagnetic resonance of nitroxide biradicals in fluid solution

From The DNP-NMR Blog:

Continuous wave electron paramagnetic resonance of nitroxide biradicals in fluid solution

Eaton, Sandra S., Lukas B. Woodcock, and Gareth R. Eaton. “Continuous Wave Electron Paramagnetic Resonance of Nitroxide Biradicals in Fluid Solution.” Concepts in Magnetic Resonance Part A 47A, no. 2 (March 2018): e21426.

https://doi.org/10.1002/cmr.a.21426.

Nitroxide biradicals have been prepared with electron-electron spin-spin exchange interaction, J, ranging from weak to very strong. EPR spectra of these biradicals in fluid solution depend on the ratio of J to the nitrogen hyperfine coupling, AN, and the rates of interconversion between conformations with different values of J. For relatively rigid biradicals EPR spectra can be simulated as the superposition of AB splitting patterns arising from different combinations of nitrogen nuclear spin states. For more flexible biradicals spectra can be simulated with a Liouville representation of the dynamics that interconvert conformations with different values of J on the EPR timescale. Analysis of spectra, factors that impact J, and examples of applications to chemical and biophysical problems are discussed.

Go to The DNP-NMR Blog for more info.

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Optimizing nitroxide biradicals for cross-effect MAS-DNP: the role of g-tensors’ distance #DNPNMR From The DNP-NMR Blog: Optimizing nitroxide biradicals for cross-effect MAS-DNP: the role of g-tensors’ distance #DNPNMR Mentink-Vigier, Frédéric. “Optimizing Nitroxide Biradicals for Cross-Effect MAS-DNP: The Role of g-Tensors’ Distance.” Physical Chemistry Chemical Physics 22, no. 6 (2020): 3643–52. https://doi.org/10.1039/C9CP06201G.	nmrlearner	News from NMR blogs	0	03-05-2020 08:33 AM
Towards Increased Concentration Sensitivity for Continuous Wave EPR Investigations of Spin-Labeled Biological Macromolecules at High Fields Towards Increased Concentration Sensitivity for Continuous Wave EPR Investigations of Spin-Labeled Biological Macromolecules at High Fields Publication date: Available online 15 February 2016 Source:Journal of Magnetic Resonance</br> Author(s): Likai Song, Zhanglong Liu, Pavanjeet Kaur, Jackie M. Esquiaqui, Robert I. Hunter, Stephen Hill, Graham M. Smith, Gail E. Fanucci</br> High-field, high-frequency electron paramagnetic resonance (EPR) spectroscopy at W- (~95 GHz) and D-band (~140 GHz) is important for investigating the conformational dynamics...	nmrlearner	Journal club	0	02-16-2016 12:40 AM
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
[NMR images] Nuclear Magnetic Resonance - Continuous-wave Nuclear Magnetic ... http://muniche.linde.com/international/web/lg/spg/like35lgspg.nsf/repositorybyalias/ana_meth_nmr_1/$file/NMR_1.gif 9/05/2014 6:31:11 AM GMT Nuclear Magnetic Resonance - Continuous-wave Nuclear Magnetic ... More...	nmrlearner	NMR pictures	0	05-09-2014 06:30 AM
[NMR paper] Refocused continuous-wave decoupling: a new approach to heteronuclear dipolar decoupling in solid-state NMR spectroscopy. Refocused continuous-wave decoupling: a new approach to heteronuclear dipolar decoupling in solid-state NMR spectroscopy. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--link.aip.org-jhtml-linkto.gif Related Articles Refocused continuous-wave decoupling: a new approach to heteronuclear dipolar decoupling in solid-state NMR spectroscopy. J Chem Phys. 2012 Dec 7;137(21):214202 Authors: Vinther JM, Nielsen AB, Bjerring M, van Eck ER, Kentgens AP, Khaneja N, Nielsen NC Abstract A novel strategy for heteronuclear dipolar...	nmrlearner	Journal club	0	06-01-2013 02:03 PM
Phase cycling with a 240 GHz, free electron laser-powered electron paramagnetic resonance spectrometer From the The DNP-NMR Blog: Phase cycling with a 240 GHz, free electron laser-powered electron paramagnetic resonance spectrometer This is not an article directly related to DNP spectroscopy. However, it shows the tremendous progress made in the development of high-frequency, high-power sources that can be utilized for high-field EPR and eventually DNP experiments. <div>Edwards, D.T., et al., Phase cycling with a 240 GHz, free electron laser-powered electron paramagnetic resonance spectrometer. Phys. Chem. Chem. Phys., 2013.	nmrlearner	News from NMR blogs	0	04-15-2013 08:52 AM
[NMR paper] Designing Dipolar Recoupling and Decoupling Experiments for Biological Solid-State NMR Using Interleaved Continuous Wave and rf Pulse Irradiation. Designing Dipolar Recoupling and Decoupling Experiments for Biological Solid-State NMR Using Interleaved Continuous Wave and rf Pulse Irradiation. Designing Dipolar Recoupling and Decoupling Experiments for Biological Solid-State NMR Using Interleaved Continuous Wave and rf Pulse Irradiation. Acc Chem Res. 2013 Apr 4; Authors: Bjerring M, Jain S, Paaske B, Vinther JM, Nielsen NC Abstract Rapid developments in solid-state NMR methodologyhave boosted this technique into a highly versatile tool for structural biology. The invention of...	nmrlearner	Journal club	0	04-06-2013 11:18 AM
Continuous-wave EPR at 275 GHz: Application to high-spin Fe3+ systems Continuous-wave EPR at 275 GHz: Application to high-spin Fe3+ systems Publication year: 2011 Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 11 March 2011</br> G., Mathies , H., Blok , J.A.J.M., Disselhorst , P., Gast , H., van der Meer , ...</br> The 275 GHz electron-paramagnetic-resonance spectrometer we reported on in 2004 has been equipped with a new probe head, which contains a cavity especially designed for operation in continuous-wave mode. The sensitivity and signal stability that is achieved with this new probe head is illustrated...	nmrlearner	Journal club	0	03-12-2011 05:21 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 Off Trackbacks are Off Pingbacks are Off Refbacks are Off