Effects of biradical deuteration on the performance of DNP: towards better performing polarizing agents

		BioNMR > NMR community > News from NMR blogs
Effects of biradical deuteration on the performance of DNP: towards better performing polarizing agents

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

03-09-2016, 06:28 PM

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

Effects of biradical deuteration on the performance of DNP: towards better performing polarizing agents

From The DNP-NMR Blog:

Effects of biradical deuteration on the performance of DNP: towards better performing polarizing agents

Perras, F.A., et al., Effects of biradical deuteration on the performance of DNP: towards better performing polarizing agents. Phys Chem Chem Phys, 2016. 18(1): p. 65-9.

http://www.ncbi.nlm.nih.gov/pubmed/26619055

We study the effects of the deuteration of biradical polarizing agents on the efficiency of dynamic nuclear polarization (DNP) via the cross-effect. To this end, we synthesized a series of bTbK and TOTAPol biradicals with systematically increased deuterium substitution. The deuteration increases the radicals' relaxation time, thus contributing to a higher saturation factor and larger DNP enhancement, and reduces the pool of protons within the so-called spin diffusion barrier. Notably, we report that full or partial deuteration leads to improved DNP enhancement factors in standard samples, but also slows down the build-up of hyperpolarization. Improvements in DNP enhancements factors of up to 70% and time savings of up to 38% are obtained upon full deuteration. It is foreseen that this approach may be applied to other DNP polarizing agents thus enabling further sensitivity improvements.

Go to The DNP-NMR Blog for more info.

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Highly Efficient, Water-Soluble Polarizing Agents for Dynamic Nuclear Polarization at High Frequency From The DNP-NMR Blog: Highly Efficient, Water-Soluble Polarizing Agents for Dynamic Nuclear Polarization at High Frequency Sauvee, C., et al., Highly Efficient, Water-Soluble Polarizing Agents for Dynamic Nuclear Polarization at High Frequency. Angew Chem Int Ed Engl, 2013. 52(41): p. 10858-10861. http://www.ncbi.nlm.nih.gov/pubmed/23956072	nmrlearner	News from NMR blogs	0	01-24-2014 11:26 PM
Host-Guest Complexes as Water-Soluble High-Performance DNP Polarizing Agents From The DNP-NMR Blog: Host-Guest Complexes as Water-Soluble High-Performance DNP Polarizing Agents Mao, J., et al., Host-Guest Complexes as Water-Soluble High-Performance DNP Polarizing Agents. J Am Chem Soc, 2013. 135(51): p. 19275-81. http://www.ncbi.nlm.nih.gov/pubmed/24279469	nmrlearner	News from NMR blogs	0	01-10-2014 06:01 PM
Highly Efficient, Water-Soluble Polarizing Agents for Dynamic Nuclear Polarization at High Frequency From The DNP-NMR Blog: Highly Efficient, Water-Soluble Polarizing Agents for Dynamic Nuclear Polarization at High Frequency Sauvee, C., et al., Highly Efficient, Water-Soluble Polarizing Agents for Dynamic Nuclear Polarization at High Frequency. Angew Chem Int Ed Engl, 2013. 52(41): p. 10858-10861. http://www.ncbi.nlm.nih.gov/pubmed/23956072	nmrlearner	News from NMR blogs	0	11-22-2013 03:09 PM
[Question from NMRWiki Q&A forum] How to performing acquisition during all time multi pulse sequence - Bruker ? How to performing acquisition during all time multi pulse sequence - Bruker ? Hi all, I have a small question on how to aquired a complete signal in BRUKER AVIII.I want to create a multi pulse sequence (1D), where I want to aquire the signal (sequentially) do not adding or replacing the data before each pulse. \|\|__________\|\|_________\|\|__________\|\|___________ ... tp tp tp tp ...Performing Aquisition all time................. \|\| - pulse	nmrlearner	News from other NMR forums	0	10-10-2013 09:27 AM
Can metal ion complexes be used as polarizing agents for solution DNP? A theoretical discussion From The DNP-NMR Blog: Can metal ion complexes be used as polarizing agents for solution DNP? A theoretical discussion Luchinat, C., G. Parigi, and E. Ravera, Can metal ion complexes be used as polarizing agents for solution DNP? A theoretical discussion. J. Biomol. NMR, 2013: p. 1-11. http://www.ncbi.nlm.nih.gov/pubmed/23606273	nmrlearner	News from NMR blogs	0	06-03-2013 04:21 PM
Influence of deuteration in the glassing matrix on 13C dynamic nuclear polarization From The DNP-NMR Blog: Influence of deuteration in the glassing matrix on 13C dynamic nuclear polarization Lumata, L., M.E. Merritt, and Z. Kovacs, Influence of deuteration in the glassing matrix on 13C dynamic nuclear polarization. Phys. Chem. Chem. Phys., 2013. 15(19): p. 7032-7035. http://www.ncbi.nlm.nih.gov/pubmed/23552448	nmrlearner	News from NMR blogs	0	05-22-2013 04:43 PM
Fractional deuteration applied to biomolecular solid-state NMR spectroscopy Fractional deuteration applied to biomolecular solid-state NMR spectroscopy Abstract Solid-state Nuclear Magnetic Resonance can provide detailed insight into structural and dynamical aspects of complex biomolecules. With increasing molecular size, advanced approaches for spectral simplification and the detection of medium to long-range contacts become of critical relevance. We have analyzed the protonation pattern of a membrane-embedded ion channel that was obtained from bacterial expression using protonated precursors and D2O medium. We find an overall reduction of 50% in protein...	nmrlearner	Journal club	0	11-24-2011 12:25 AM
[Question from NMRWiki Q&A forum] Impact of deuteration on relaxation rates PROTEIN NMR Impact of deuteration on relaxation rates PROTEIN NMR DEAR NMR WIKIERS IS THEIR ANY NMR EXPERMENT TO KNOW THE IMPACT OF DEUTERATION ON RELAXATION REATES OF C13,N15,H ALFA , H BETA OF DEURATED PROTEIN (RANDOMLY DEUTERTED) Regards SRI	nmrlearner	News from other NMR forums	0	06-21-2011 03:40 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