Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces #DNPNMR

		BioNMR > NMR community > News from NMR blogs
Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces #DNPNMR

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

01-19-2018, 08:57 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,174

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

Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces #DNPNMR

From The DNP-NMR Blog:

Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces #DNPNMR

p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica}
Kobayashi, T., et al., Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces. Solid State Nuclear Magnetic Resonance, 2017. 87: p. 38-44.

https://doi.org/10.1016/j.ssnmr.2017.08.002

We demonstrate that dynamic nuclear polarization (DNP)-enhanced 1H-X heteronuclear correlation (HETCOR) measurements of hydrogen-rich surface species are better accomplished by using proton-free solvents. This approach notably prevents HETCOR spectra from being obfuscated by the solvent-derived signals otherwise present in DNP measurements. Additionally, in the hydrogen-rich materials studied here, which included functionalized mesoporous silica nanoparticles and metal organic frameworks, the use of proton-free solvents afforded higher sensitivity gains than the commonly used solvents containing protons. We also explored the possibility of using a solvent-free sample formulation and the feasibility of indirect detection in DNP-enhanced HETCOR experiments.
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.

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces #DNPNMR From The DNP-NMR Blog: Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Kobayashi, T., et al., Improved strategies for DNP-enhanced 2D 1H-X heteronuclear correlation spectroscopy of surfaces. Solid State Nucl Magn Reson, 2017. 87(Supplement C): p. 38-44. https://www.ncbi.nlm.nih.gov/pubmed/28834782	nmrlearner	News from NMR blogs	0	11-28-2017 03:58 AM
Chemical-shift-resolved (1)(9)F NMR spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-enhanced diagonal suppressed correlation spectroscopy From The DNP-NMR Blog: Chemical-shift-resolved (1)(9)F NMR spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-enhanced diagonal suppressed correlation spectroscopy p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} George, C. and N. Chandrakumar, Chemical-shift-resolved (1)(9)F NMR spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-enhanced diagonal suppressed correlation spectroscopy. Angew Chem Int Ed Engl, 2014. 53(32): p. 8441-4. https://www.ncbi.nlm.nih.gov/pubmed/24962142	nmrlearner	News from NMR blogs	0	03-13-2017 03:04 PM
[NMR paper] A Different Approach to Multiplicity-Edited Heteronuclear Single Quantum Correlation Spectroscopy A Different Approach to Multiplicity-Edited Heteronuclear Single Quantum Correlation Spectroscopy Publication date: Available online 8 August 2015 Source:Journal of Magnetic Resonance</br> Author(s): Peyman Sakhaii, Wolfgang Bermel</br> A new experiment for recording multiplicity-edited HSQC spectra is presented. In standard multiplicity-edited HSQC experiments, the amplitude of CH2 signals is negative compared to those of CH and CH3 groups. We propose to reverse the sign of 13C frequencies of CH2 groups in t1 as criteria for editing. Basically, a modified r,x...	nmrlearner	Journal club	0	08-08-2015 12:17 PM
Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy From The DNP-NMR Blog: Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy George, C. and N. Chandrakumar, Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy. Angewandte Chemie, 2014. 126(32): p. 8581-8584. http://dx.doi.org/10.1002/ange.201402320	nmrlearner	News from NMR blogs	0	01-21-2015 08:39 PM
Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy From The DNP-NMR Blog: Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy George, C. and N. Chandrakumar, Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy. Angewandte Chemie, 2014. 126(32): p. 8581-8584. http://dx.doi.org/10.1002/ange.201402320	nmrlearner	News from NMR blogs	0	01-16-2015 09:09 PM
Origin and removal of mixed-phase artifacts in gradient sensitivity enhanced heteronuclear single quantum correlation spectra Origin and removal of mixed-phase artifacts in gradient sensitivity enhanced heteronuclear single quantum correlation spectra Abstract Here we describe phasing anomalies observed in gradient sensitivity enhanced 15N-1H HSQC spectra, and analyze their origin. It is shown that, as a result of 15N off-resonance effects, dispersive contributions to the 1H signal become detectable, and lead to 15N-offset dependent phase errors. Strategies that effectively suppress these artifacts are presented. Content Type Journal Article Category Article Pages 199-207	nmrlearner	Journal club	0	09-30-2011 08:01 PM
1H Assisted 13C/15N Heteronuclear Correlation Spectroscopy in Oriented Sample Solid-State NMR of Single Crystal and Magnetically Aligned Samples 1H Assisted 13C/15N Heteronuclear Correlation Spectroscopy in Oriented Sample Solid-State NMR of Single Crystal and Magnetically Aligned Samples Publication year: 2011 Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 9 April 2011</br> Eugene C., Lin , Stanley J., Opella</br> 1H-irradiation under mismatched Hartmann-Hahn conditions provides an alternative mechanism for carrying out 15N/13C transfers in triple-resonance heteronuclear correlation spectroscopy (HETCOR) on stationary samples of single crystals and aligned samples of biopolymers, which...	nmrlearner	Journal club	0	04-10-2011 12:52 PM
1H Assisted 13C/15N Heteronuclear Correlation Spectroscopy in Oriented Sample Solid-State NMR of Single Crystal and Magnetically Aligned Samples 1H Assisted 13C/15N Heteronuclear Correlation Spectroscopy in Oriented Sample Solid-State NMR of Single Crystal and Magnetically Aligned Samples Publication year: 2011 Source: Journal of Magnetic Resonance, In Press, Accepted Manuscript, Available online 9 April 2011</br> Eugene C., Lin , Stanley J., Opella</br> 1H-irradiation under mismatched Hartmann-Hahn conditions provides an alternative mechanism for carrying out 15N/13C transfers in triple-resonance heteronuclear correlation spectroscopy (HETCOR) on stationary samples of single crystals and aligned samples of biopolymers, which...	nmrlearner	Journal club	0	04-10-2011 12:42 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