High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy

		BioNMR > NMR community > News from NMR blogs
High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy

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:

Thread Tools

Search this Thread

Rate Thread

Display Modes

02-09-2016, 04:21 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

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

High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy

From The DNP-NMR Blog:

High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy

Rossini, A.J., et al., High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy. J Magn Reson, 2015. 259: p. 192-8.

http://www.ncbi.nlm.nih.gov/pubmed/26363582

We demonstrate that high field (9.4 T) dynamic nuclear polarization (DNP) at cryogenic ( approximately 100 K) sample temperatures enables the rapid acquisition of natural abundance (1)H-(2)H cross-polarization magic angle spinning (CPMAS) solid-state NMR spectra of organic solids. Spectra were obtained by impregnating substrates with a solution of the stable DNP polarizing agent TEKPol in tetrachloroethane. Tetrachloroethane is a non-solvent for the solids, and the unmodified substrates are then polarized through spin diffusion. High quality natural abundance (2)H CPMAS spectra of histidine hydrochloride monohydrate, glycylglycine and theophylline were acquired in less than 2h, providing direct access to hydrogen chemical shifts and quadrupolar couplings. The spectral resolution of the (2)H solid-state NMR spectra is comparable to that of (1)H spectra obtained with state of the art homonuclear decoupling techniques.

Go to The DNP-NMR Blog for more info.

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy From The DNP-NMR Blog: High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy Rossini, A.J., et al., High-resolution NMR of hydrogen in organic solids by DNP enhanced natural abundance deuterium spectroscopy. J. Magn. Reson., 2015. 259: p. 192-198. http://dx.doi.org/10.1016/j.jmr.2015.08.020	nmrlearner	News from NMR blogs	0	10-23-2015 02:14 PM
Quantitative Structural Constraints for Organic Powders at Natural Isotopic Abundance Using Dynamic Nuclear Polarization Solid-State NMR Spectroscopy From The DNP-NMR Blog: Quantitative Structural Constraints for Organic Powders at Natural Isotopic Abundance Using Dynamic Nuclear Polarization Solid-State NMR Spectroscopy Mollica, G., et al., Quantitative Structural Constraints for Organic Powders at Natural Isotopic Abundance Using Dynamic Nuclear Polarization Solid-State NMR Spectroscopy. Angewandte Chemie, 2015. 127(20): p. 6126-6129. http://dx.doi.org/10.1002/ange.201501172	nmrlearner	News from NMR blogs	0	10-03-2015 09:52 AM
Natural Abundance (17)O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy From The DNP-NMR Blog: Natural Abundance (17)O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy Perras, F.A., T. Kobayashi, and M. Pruski, Natural Abundance (17)O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy. J Am Chem Soc, 2015. 137(26): p. 8336-9. http://www.ncbi.nlm.nih.gov/pubmed/26098846	nmrlearner	News from NMR blogs	0	09-28-2015 06:31 PM
Natural Abundance 17O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy Natural Abundance 17O DNP Two-Dimensional and Surface-Enhanced NMR Spectroscopy Fre?de?ric A. Perras, Takeshi Kobayashi and Marek Pruski http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.5b03905/20150629/images/medium/ja-2015-03905b_0003.gif Journal of the American Chemical Society DOI: 10.1021/jacs.5b03905 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/2XY9E0YdGEg	nmrlearner	Journal club	0	06-29-2015 07:21 PM
[NMR paper] Fast-pulsing NMR techniques for the detection of weak interactions: successful natural abundance probe of hydrogen bonds in peptides. Fast-pulsing NMR techniques for the detection of weak interactions: successful natural abundance probe of hydrogen bonds in peptides. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--www.rsc.org-images-entities-char_z_RSClogo.gif Related Articles Fast-pulsing NMR techniques for the detection of weak interactions: successful natural abundance probe of hydrogen bonds in peptides. Org Biomol Chem. 2013 Nov 21;11(43):7611-5 Authors: Altmayer-Henzien A, Declerck V, Aitken DJ, Lescop E, Merlet D, Farjon J Abstract ...	nmrlearner	Journal club	0	07-27-2014 01:05 AM
Dynamic Nuclear Polarization Enhanced Natural Abundance 17O Spectroscopy From the The DNP-NMR Blog: Dynamic Nuclear Polarization Enhanced Natural Abundance 17O Spectroscopy Blanc, F., et al., Dynamic Nuclear Polarization Enhanced Natural Abundance 17O Spectroscopy. J. Am. Chem. Soc., 2013. 135(8): p. 2975-2978. http://dx.doi.org/10.1021/ja4004377	nmrlearner	News from NMR blogs	0	04-15-2013 08:52 AM
Identifying Guanosine Self Assembly at Natural Isotopic Abundance by High-Resolution 1H and 13C Solid-State NMR Spectroscopy Identifying Guanosine Self Assembly at Natural Isotopic Abundance by High-Resolution 1H and 13C Solid-State NMR Spectroscopy Amy L. Webber, Stefano Masiero, Silvia Pieraccini, Jonathan C. Burley, Andrew S. Tatton, Dinu Iuga, Tran N. Pham, Gian Piero Spada and Steven P. Brown http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja206516u/aop/images/medium/ja-2011-06516u_0007.gif Journal of the American Chemical Society DOI: 10.1021/ja206516u http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA...	nmrlearner	Journal club	0	11-18-2011 04:35 AM
High-Resolution 39K NMR Spectroscopy of Bio-organic Solids High-Resolution 39K NMR Spectroscopy of Bio-organic Solids Gang Wu, Zhehong Gan, Irene C. M. Kwan, James C. Fettinger and Jeffery T. Davis http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja2052446/aop/images/medium/ja-2011-052446_0001.gif Journal of the American Chemical Society DOI: 10.1021/ja2052446 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/udYj13RsOzQ	nmrlearner	Journal club	0	08-13-2011 02:47 AM

« 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