Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization

		BioNMR > NMR community > News from NMR blogs
Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization

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

02-13-2014, 01:42 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,187

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

Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization

From The DNP-NMR Blog:

Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization

Meier, B., et al., Long-lived nuclear spin states in methyl groups and quantum-rotor-induced polarization. J Am Chem Soc, 2013. 135(50): p. 18746-9.

http://www.ncbi.nlm.nih.gov/pubmed/24252212

Substances containing rapidly rotating methyl groups may exhibit long-lived states (LLSs) in solution, with relaxation times substantially longer than the conventional spin-lattice relaxation time T1. The states become long-lived through rapid internal rotation of the CH3 group, which imposes an approximate symmetry on the fluctuating nuclear spin interactions. In the case of very low CH3 rotational barriers, a hyperpolarized LLS is populated by thermal equilibration at liquid helium temperature. Following dissolution, cross-relaxation of the hyperpolarized LLS, induced by heteronuclear dipolar couplings, generates strongly enhanced antiphase NMR signals. This mechanism explains the NMR signal enhancements observed for (13)C-gamma-picoline (Icker, M.; Berger, S. J. Magn. Reson. 2012, 219, 1-3).

Go to The DNP-NMR Blog for more info.

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Magnetic Resonance Force Microscopy Detected Long-Lived Spin Magnetization From The DNP-NMR Blog: Magnetic Resonance Force Microscopy Detected Long-Lived Spin Magnetization Chen, L., et al., Magnetic Resonance Force Microscopy Detected Long-Lived Spin Magnetization. Magnetics, IEEE Transactions on, 2013. 49(7): p. 3528-3532. http://dx.doi.org/10.1109/TMAG.2013.2239268	nmrlearner	News from NMR blogs	0	08-23-2013 02:29 PM
Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads From The DNP-NMR Blog: Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads van der Est, A. and P. Poddutoori, Light-Induced Spin Polarization in Porphyrin-Based Donor–Acceptor Dyads and Triads. Appl. Magn. Reson., 2013. 44(1-2): p. 301-318. http://dx.doi.org/10.1007/s00723-012-0420-z	nmrlearner	News from NMR blogs	0	08-01-2013 12:26 AM
Boosting the Sensitivityof Ligand–ProteinScreening by NMR of Long-Lived States Boosting the Sensitivityof Ligand–ProteinScreening by NMR of Long-Lived States Nicola Salvi, Roberto Buratto, Aure?lien Bornet, Simone Ulzega, Inmaculada Rentero Rebollo, Alessandro Angelini, Christian Heinis and Geoffrey Bodenhausen http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja303301w/aop/images/medium/ja-2012-03301w_0004.gif Journal of the American Chemical Society DOI: 10.1021/ja303301w http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/xsuzyMhXJF4	nmrlearner	Journal club	0	06-28-2012 07:54 AM
Long-lived coherences for line-narrowing in high-field NMR Long-lived coherences for line-narrowing in high-field NMR Publication year: 2011 Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 59, Issue 1</br> Riddhiman Sarkar, Puneet Ahuja, Paul R. Vasos, Aurélien Bornet, Olivier Wagnières, Geoffrey Bodenhausen</br> </br> </br></br>	nmrlearner	Journal club	0	03-09-2012 09:16 AM
Multiplet-filtered and gradient-selected zero-quantum TROSY experiments for 13C1H3 methyl groups in proteins Multiplet-filtered and gradient-selected zero-quantum TROSY experiments for 13C1H3 methyl groups in proteins Abstract Multiplet-filtered and gradient-selected heteronuclear zero-quantum coherence (gsHZQC) TROSY experiments are described for measuring 1Hâ??13C correlations for 13CH3 methyl groups in proteins. These experiments provide improved suppression of undesirable, broad outer components of the heteronuclear zero-quantum multiplet in medium-sized proteins, or in flexible sites of larger proteins, compared to previously described HZQC sequences (Tugarinov et al. in J Am Chem Soc...	nmrlearner	Journal club	0	09-17-2011 10:20 AM
Long-Lived States to Monitor Protein Unfolding by Proton NMR. Long-Lived States to Monitor Protein Unfolding by Proton NMR. Long-Lived States to Monitor Protein Unfolding by Proton NMR. Chemphyschem. 2011 Aug 31; Authors: Bornet A, Ahuja P, Sarkar R, Fernandes L, Hadji S, Lee SY, Haririnia A, Fushman D, Bodenhausen G, Vasos PR Abstract The relaxation of long-lived states (LLS) corresponds to the slow return to statistical thermal equilibrium between symmetric and antisymmetric proton spin states. This process is remarkably sensitive to the presence of external spins and can be used to obtain...	nmrlearner	Journal club	0	09-02-2011 05:40 PM
[NMR paper] A high-resolution NMR study of long-lived water molecules in both oxidation states of A high-resolution NMR study of long-lived water molecules in both oxidation states of a minimal cytochrome c. Related Articles A high-resolution NMR study of long-lived water molecules in both oxidation states of a minimal cytochrome c. Biochemistry. 2003 Apr 1;42(12):3457-63 Authors: Bertini I, Ghosh K, Rosato A, Vasos PR The interaction of water with oxidized and reduced cytochrome c from the Gram-positive bacterium Bacillus pasteurii (a 71-amino acid long monoheme cytochrome) is investigated through CLEANEX experiments and (15)N-edited...	nmrlearner	Journal club	0	11-24-2010 09:01 PM
Long-Lived Coherences for Line-Narrowing in High-Field NMR Long-Lived Coherences for Line-Narrowing in High-Field NMR Publication year: 2010 Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 21 October 2010</br> Riddhiman, Sarkar , Puneet, Ahuja , Paul R., Vasos , Aurélien, Bornet , Olivier, Wagnières , ...</br> More...	nmrlearner	Journal club	0	10-22-2010 07:34 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