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 05-09-2018, 03:14 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 18,689
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 Dynamic Nuclear Polarization as Kinetically Constrained Diffusion #DNPNMR

From The DNP-NMR Blog:

Dynamic Nuclear Polarization as Kinetically Constrained Diffusion #DNPNMR

Karabanov, A., et al., Dynamic Nuclear Polarization as Kinetically Constrained Diffusion. Phys. Rev. Lett., 2015. 115(2): p. 020404.


https://www.ncbi.nlm.nih.gov/pubmed/26207453


Dynamic nuclear polarization (DNP) is a promising strategy for generating a significantly increased nonthermal spin polarization in nuclear magnetic resonance (NMR) and its applications that range from medicine diagnostics to material science. Being a genuine nonequilibrium effect, DNP circumvents the need for strong magnetic fields. However, despite intense research, a detailed theoretical understanding of the precise mechanism behind DNP is currently lacking. We address this issue by focusing on a simple instance of DNP-so-called solid effect DNP-which is formulated in terms of a quantum central spin model where a single electron is coupled to an ensemble of interacting nuclei. We show analytically that the nonequilibrium buildup of polarization heavily relies on a mechanism which can be interpreted as kinetically constrained diffusion. Beyond revealing this insight, our approach furthermore permits numerical studies of ensembles containing thousands of spins that are typically intractable when formulated in terms of a quantum master equation. We believe that this represents an important step forward in the quest of harnessing nonequilibrium many-body quantum physics for technological applications.


p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica} p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica}

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
Photo-induced radical polarization and liquid-state dynamic nuclear polarization using fullerene nitroxide derivatives #DNPNMR
From The DNP-NMR Blog: Photo-induced radical polarization and liquid-state dynamic nuclear polarization using fullerene nitroxide derivatives #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Liu, G., et al., Photo-induced radical polarization and liquid-state dynamic nuclear polarization using fullerene nitroxide derivatives. Phys. Chem. Chem. Phys., 2017. 19(47): p. 31823-31829. https://www.ncbi.nlm.nih.gov/pubmed/29171613
nmrlearner News from NMR blogs 0 02-14-2018 04:47 PM
Spectral diffusion and dynamic nuclear polarization: Beyond the high temperature approximation #DNPNMR
From The DNP-NMR Blog: Spectral diffusion and dynamic nuclear polarization: Beyond the high temperature approximation #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica} p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica} Wenckebach, W.T., Spectral diffusion and dynamic nuclear polarization: Beyond the high temperature approximation. J. Magn. Reson., 2017. 284(Supplement C): p. 104-114. http://www.sciencedirect.com/science/article/pii/S1090780717302409
nmrlearner News from NMR blogs 0 01-15-2018 09:29 PM
Effect of electron spectral diffusion on static dynamic nuclear polarization at 7 Tesla #DNPNMR
From The DNP-NMR Blog: Effect of electron spectral diffusion on static dynamic nuclear polarization at 7 Tesla #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Leavesley, A., et al., Effect of electron spectral diffusion on static dynamic nuclear polarization at 7 Tesla. Phys. Chem. Chem. Phys., 2017. 19(5): p. 3596-3605. https://www.ncbi.nlm.nih.gov/pubmed/28094364
nmrlearner News from NMR blogs 0 06-02-2017 08:33 PM
Dynamic Nuclear Polarization of ?-Cyclodextrin Macromolecules #DNPNMR
From The DNP-NMR Blog: Dynamic Nuclear Polarization of ?-Cyclodextrin Macromolecules #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Caracciolo, F., et al., Dynamic Nuclear Polarization of ?-Cyclodextrin Macromolecules. The Journal of Physical Chemistry B, 2017. http://dx.doi.org/10.1021/acs.jpcb.7b00836
nmrlearner News from NMR blogs 0 04-03-2017 05:37 PM
Microwave-gated dynamic nuclear polarization #DNPNMR
From The DNP-NMR Blog: Microwave-gated dynamic nuclear polarization #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Bornet, A., et al., Microwave-gated dynamic nuclear polarization. Phys. Chem. Chem. Phys., 2016. 18(44): p. 30530-30535. http://dx.doi.org/10.1039/C6CP05587G
nmrlearner News from NMR blogs 0 12-15-2016 02:04 AM
Phenylazide Hybrid-Silica - Polarization Platform for Dynamic Nuclear Polarization at Cryogenic Temperatures #DNPNMR
From The DNP-NMR Blog: Phenylazide Hybrid-Silica - Polarization Platform for Dynamic Nuclear Polarization at Cryogenic Temperatures #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Grüning, W.R., et al., Phenylazide Hybrid-Silica - Polarization Platform for Dynamic Nuclear Polarization at Cryogenic Temperatures. Helvetica Chimica Acta, 2016: p. n/a-n/a. http://dx.doi.org/10.1002/hlca.201600122
nmrlearner News from NMR blogs 0 11-19-2016 08:35 PM
Silica materials with wall-embedded nitroxides provide efficient polarization matrices for dynamic nuclear polarization NMR #DNPNMR
From The DNP-NMR Blog: Silica materials with wall-embedded nitroxides provide efficient polarization matrices for dynamic nuclear polarization NMR #DNPNMR Besson, E., et al., Silica materials with wall-embedded nitroxides provide efficient polarization matrices for dynamic nuclear polarization NMR. Chem Commun (Camb), 2016. 52(32): p. 5531-3. http://www.ncbi.nlm.nih.gov/pubmed/27020483
nmrlearner News from NMR blogs 0 08-17-2016 11:34 PM
Essentials of Dynamic Nuclear Polarization #DNPNMR
From The DNP-NMR Blog: Essentials of Dynamic Nuclear Polarization #DNPNMR Dear Colleague, It is my pleasure to announce that a limited edition of `Essentials of Dynamic Nuclear Polarization' is now available at the UK branch of Amazon: www.amazon.co.uk
nmrlearner News from NMR blogs 0 05-25-2016 02:30 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 - 2018, 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 01:37 PM.


Map