Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy

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Chemical-Shift-Resolved19F NMR Spectroscopy between 13.5 and 135 MHz: Overhauser-DNP-Enhanced Diagonal Suppressed Correlation Spectroscopy

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NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

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GeNMR

I-TASSER

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Structure from chemical shifts:

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Torsion angles from chemical shifts:

Preditor

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Promega- Proline

Secondary structure from chemical shifts:

CSI (via RCI server)

TALOS

MICS caps, β-turns

d2D

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Flexibility from chemical shifts:

RCI

Interactions from chemical shifts:

HADDOCK

Chemical shifts re-referencing:

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NOEs, other restraints:

Chemical shifts:

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B-factor

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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

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Protein disorder:

DisMeta

Protein solubility:

Isotope labeling:

Solid-state NMR:

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01-21-2015, 08:39 PM

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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

Overhauser–DNP-enhanced homonuclear 2D 19F correlation spectroscopy with diagonal suppression is presented for small molecules in the solution state at moderate fields. Multi-frequency, multi-radical studies demonstrate that these relatively low-field experiments may be operated with sensitivity rivalling that of standard 200–1000 MHz NMR spectroscopy. Structural information is accessible without a sensitivity penalty, and diagonal suppressed 2D NMR correlations emerge despite the general lack of multiplet resolution in the 1D ODNP spectra. This powerful general approach avoids the rather stiff excitation, detection, and other special requirements of high-field 19F NMR spectroscopy.

Go to The DNP-NMR Blog for more info.

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