NMR paper Singlet-filtered NMR spectroscopy.

		BioNMR > Educational resources > Journal club
[NMR paper] Singlet-filtered NMR 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:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

03-07-2020, 06:20 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,175

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

Singlet-filtered NMR spectroscopy.

Related Articles Singlet-filtered NMR spectroscopy.

Sci Adv. 2020 02;6(8):eaaz1955

Authors: Mamone S, Rezaei-Ghaleh N, Opazo F, Griesinger C, Glöggler S

Abstract
Selectively studying parts of proteins and metabolites in tissue with nuclear magnetic resonance promises new insights into molecular structures or diagnostic approaches. Nuclear spin singlet states allow the selection of signals from chemical moieties of interest in proteins or metabolites while suppressing background signal. This selection process is based on the electron-mediated coupling between two nuclear spins and their difference in resonance frequency. We introduce a generalized and versatile pulsed NMR experiment that allows populating singlet states on a broad scale of coupling patterns. This approach allowed us to filter signals from proton pairs in the Alzheimer's disease-related b-amyloid 40 peptide and in metabolites in brain matter. In particular, for glutamine/glutamate, we have discovered a long-lived state in tissue without the typically required singlet sustaining by radiofrequency irradiation. We believe that these findings will open up new opportunities to study metabolites with a view on future in vivo applications.

PMID: 32128422 [PubMed - in process]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[NMR paper] NMR spectroscopy of filtered serum of prostate cancer: A new frontier in metabolomics. NMR spectroscopy of filtered serum of prostate cancer: A new frontier in metabolomics. Related Articles NMR spectroscopy of filtered serum of prostate cancer: A new frontier in metabolomics. Prostate. 2016 Sep;76(12):1106-19 Authors: Kumar D, Gupta A, Mandhani A, Sankhwar SN Abstract BACKGROUND: To address the shortcomings of digital rectal examinations (DRE), serum prostate-specific antigen (PSA), and trans-rectal ultrasound (TRUS) for precise determination of prostate cancer (PC) and differentiation from benign prostatic...	nmrlearner	Journal club	0	07-14-2017 01:53 PM
[NMR paper] Mapping protein-protein interactions by double-REDOR-filtered magic angle spinning NMR spectroscopy. Mapping protein-protein interactions by double-REDOR-filtered magic angle spinning NMR spectroscopy. Related Articles Mapping protein-protein interactions by double-REDOR-filtered magic angle spinning NMR spectroscopy. J Biomol NMR. 2017 Jan 24;: Authors: Guo C, Hou G, Lu X, Polenova T Abstract REDOR-based experiments with simultaneous (1)H-(13)C and (1)H-(15)N dipolar dephasing are explored for investigating intermolecular protein-protein interfaces in complexes formed by a U-(13)C,(15)N-labeled protein and its natural abundance...	nmrlearner	Journal club	0	01-26-2017 11:22 AM
Mapping proteinâ??protein interactions by double-REDOR-filtered magic angle spinning NMR spectroscopy Mapping proteinâ??protein interactions by double-REDOR-filtered magic angle spinning NMR spectroscopy Abstract REDOR-based experiments with simultaneous 1Hâ??13C and 1Hâ??15N dipolar dephasing are explored for investigating intermolecular proteinâ??protein interfaces in complexes formed by a Uâ??13C,15N-labeled protein and its natural abundance binding partner. The application of a double-REDOR filter (dREDOR) results in a complete dephasing of proton magnetization in the Uâ??13C,15N-enriched molecule while the proton magnetization of the unlabeled...	nmrlearner	Journal club	0	01-25-2017 11:13 AM
Journal Highlight: NMR spectroscopy of filtered serum of prostate cancer: A new frontier in metabolomics Journal Highlight: NMR spectroscopy of filtered serum of prostate cancer: A new frontier in metabolomics http://www.spectroscopynow.com/common/images/thumbnails/1563b836aed.jpgThe application of 1H NMR spectroscopy of 52 serum metabolites as a surrogate tactic for probing and predicting prostate cancer and benign prostatic hyperplasia is on a par with LC/MS and histopathological examination. Read the rest at Spectroscopynow.com	nmrlearner	General	0	08-01-2016 10:03 AM
[NMR paper] Differentiation of histidine tautomeric states using (15)N selectively filtered (13)C solid-state NMR spectroscopy. Differentiation of histidine tautomeric states using (15)N selectively filtered (13)C solid-state NMR spectroscopy. Differentiation of histidine tautomeric states using (15)N selectively filtered (13)C solid-state NMR spectroscopy. J Magn Reson. 2014 Jun 26;245C:105-109 Authors: Miao Y, Cross TA, Fu R Abstract The histidine imidazole ring in proteins usually contains a mixture of three possible tautomeric states (two neutral - ? and ? states and a charged state) at physiological pHs. Differentiating the tautomeric states is...	nmrlearner	Journal club	0	07-16-2014 10:46 AM
[NMR paper] Differentiation of histidine tautomeric states using 15N selectively filtered 13C solid-state NMR spectroscopy Differentiation of histidine tautomeric states using 15N selectively filtered 13C solid-state NMR spectroscopy Publication date: Available online 26 June 2014 Source:Journal of Magnetic Resonance</br> Author(s): Yimin Miao , Timothy A. Cross , Riqiang Fu</br> The histidine imidazole ring in proteins usually contains a mixture of three possible tautomeric states (two neutral - ? and ? states and a charged state) at physiological pHs. Differentiating the tautomeric states is critical for understanding how the histidine residue participates in many structurally and...	nmrlearner	Journal club	0	06-27-2014 11:12 PM
Journal Highlight: Combined use of filtered and edited 1H NMR spectroscopy to detect 13C-enriched compounds in complex mixtures Journal Highlight: Combined use of filtered and edited 1H NMR spectroscopy to detect 13C-enriched compounds in complex mixtures http://www.spectroscopynow.com/common/images/thumbnails/13b5c5e9785.jpgThe 13C background signal can be distinguished from resonances of 13C-enriched xenobiotics by the absence of a 12C component, detected by combined analysis of 13C-filtered and -edited proton NMR spectra. Source: Spectroscopynow.com	nmrlearner	General	0	02-03-2013 08:49 AM
[NMRwiki tweet] nmrwiki: How does filtered NOE work? #nmrhttp://qa.nmrwiki.org/question/235/basics-of-filtered-noe-experiment nmrwiki: How does filtered NOE work? #nmrhttp://qa.nmrwiki.org/question/235/basics-of-filtered-noe-experiment nmrwiki: How does filtered NOE work? #nmrhttp://qa.nmrwiki.org/question/235/basics-of-filtered-noe-experiment Source: NMRWiki tweets	nmrlearner	Twitter NMR	0	03-04-2011 02:12 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 On Trackbacks are Off Pingbacks are Off Refbacks are Off