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 03-12-2018, 02:28 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 Testing signal enhancement mechanisms in the dissolution NMR of acetone

From The DNP-NMR Blog:

Testing signal enhancement mechanisms in the dissolution NMR of acetone

Alonso-Valdesueiro, J., et al., Testing signal enhancement mechanisms in the dissolution NMR of acetone. Journal of Magnetic Resonance, 2018. 286: p. 158-162.


https://doi.org/10.1016/j.jmr.2017.12.009


In cryogenic dissolution NMR experiments, a substance of interest is allowed to rest in a strong magnetic field at cryogenic temperature, before dissolving the substance in a warm solvent, transferring it to a high-resolution NMR spectrometer, and observing the solution-state NMR spectrum. In some cases, negative enhancements of the 13C NMR signals are observed, which have been attributed to quantum-rotor-induced polarization. We show that in the case of acetone (propan-2-one) the negative signal enhancements of the methyl 13C sites may be understood by invoking conventional cross-relaxation within the methyl groups. The 1H nuclei acquire a relative large net polarization through thermal equilibration in a magnetic field at low temperature, facilitated by the methyl rotation which acts as a relaxation sink; after dissolution, the 1H magnetization slowly returns to thermal equilibrium at high temperature, in part by cross-relaxation processes, which induce a transient negative polarization of nearby 13C nuclei. We provide evidence for this mechanism experimentally and theoretically by saturating the 1H magnetization using a radiofrequency field pulse sequence before dissolution and comparing the 13C magnetization evolution after dissolution with the results obtained from a conventional 1H-13C cross relaxation model of the CH3 moieties in acetone.


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
Unprecedented Carbon Signal Enhancement in Liquid-State NMR Spectroscopy #DNPNMR
From The DNP-NMR Blog: Unprecedented Carbon Signal Enhancement in Liquid-State NMR Spectroscopy #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Pinter, G. and H. Schwalbe, Unprecedented Carbon Signal Enhancement in Liquid-State NMR Spectroscopy. Angew Chem Int Ed Engl, 2017. 56(29): p. 8332-8334. https://www.ncbi.nlm.nih.gov/pubmed/28544115
nmrlearner News from NMR blogs 0 09-19-2017 04:02 AM
NMR signal enhancement of >50 000 times in fast dissolution dynamic nuclear polarization
From The DNP-NMR Blog: NMR signal enhancement of >50 000 times in fast dissolution dynamic nuclear polarization p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Pinto, L.F., et al., NMR signal enhancement of >50 000 times in fast dissolution dynamic nuclear polarization. Chem Commun (Camb), 2017. 53(26): p. 3757-3760. https://www.ncbi.nlm.nih.gov/pubmed/28304028
nmrlearner News from NMR blogs 0 06-20-2017 01:56 AM
NMR Signal Enhancement by Effective SABRE Labeling of Oligopeptides
From The DNP-NMR Blog: NMR Signal Enhancement by Effective SABRE Labeling of Oligopeptides Ratajczyk, T., et al., NMR Signal Enhancement by Effective SABRE Labeling of Oligopeptides. Chemistry, 2015: p. n/a-n/a. http://www.ncbi.nlm.nih.gov/pubmed/26189499
nmrlearner News from NMR blogs 0 08-12-2015 10:04 PM
DNP by Thermal Mixing under Optimized Conditions Yields >60 000-fold Enhancement of 89Y NMR Signal
DNP by Thermal Mixing under Optimized Conditions Yields >60 000-fold Enhancement of 89Y NMR Signal Lloyd Lumata, Ashish K. Jindal, Matthew E. Merritt, Craig R. Malloy, A. Dean Sherry and Zoltan Kovacs http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja201880y/aop/images/medium/ja-2011-01880y_0010.gif Journal of the American Chemical Society DOI: 10.1021/ja201880y http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/lZjUD7bs_fI
nmrlearner Journal club 0 05-13-2011 07:49 PM
[NMR tweet] Nuclear magnetic resonance: The art of signal enhancement http://bit.ly/jRk8TM Science.alltop
Nuclear magnetic resonance: The art of signal enhancement http://bit.ly/jRk8TM Science.alltop Published by Alltop_science (Alltop Science) on 2011-05-02T03:49:49Z Source: Twitter
nmrlearner Twitter NMR 0 05-02-2011 03:56 AM
Signal enhancement in protein NMR using the spin-noise tuning optimum
Signal enhancement in protein NMR using the spin-noise tuning optimum Abstract We have assessed the potential of an alternative probe tuning strategy based on the spin-noise response for application in common high-resolution multi-dimensional biomolecular NMR experiments with water signal suppression on aqueous and salty samples. The method requires the adjustment of the optimal tuning condition, which may be offset by several 100 kHz from the conventional tuning settings using the noise response of the water protons as an indicator. Although the radio frequency-pulse durations are...
nmrlearner Journal club 0 10-09-2010 03:03 AM
Signal enhancement in protein NMR using the spin-noise tuning optimum.
Signal enhancement in protein NMR using the spin-noise tuning optimum. Signal enhancement in protein NMR using the spin-noise tuning optimum. J Biomol NMR. 2010 Oct 6; Authors: Nausner M, Goger M, Bendet-Taicher E, Schlagnitweit J, Jerschow A, Müller N We have assessed the potential of an alternative probe tuning strategy based on the spin-noise response for application in common high-resolution multi-dimensional biomolecular NMR experiments with water signal suppression on aqueous and salty samples. The method requires the adjustment of the...
nmrlearner Journal club 0 10-07-2010 10:33 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 03:33 PM.


Map