High field dynamic nuclear polarization NMR with surfactant sheltered biradicals

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High field dynamic nuclear polarization NMR with surfactant sheltered biradicals

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NMR processing:

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Side-chains:

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Structure from NMR restraints:

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Rosetta-NMR (Robetta)

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GeNMR

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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

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RCI

Interactions from chemical shifts:

HADDOCK

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ArShift- Aromatic

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Shifty

Camcoil

Poulsen_rc_CS

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05-14-2014, 05:14 PM

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High field dynamic nuclear polarization NMR with surfactant sheltered biradicals

From The DNP-NMR Blog:

High field dynamic nuclear polarization NMR with surfactant sheltered biradicals

Kiesewetter, M.K., et al., High field dynamic nuclear polarization NMR with surfactant sheltered biradicals. J Phys Chem B, 2014. 118(7): p. 1825-30.

http://www.ncbi.nlm.nih.gov/pubmed/24506193

We illustrate the ability to place a water-insoluble biradical, bTbk, into a glycerol/water matrix with the assistance of a surfactant, sodium octyl sulfate (SOS). This surfactant approach enables a previously water insoluble biradical, bTbk, with favorable electron-electron dipolar coupling to be used for dynamic nuclear polarization (DNP) nuclear magnetic resonance (NMR) experiments in frozen, glassy, aqueous media. Nuclear Overhauser enhancement (NOE) and paramagnetic relaxation enhancement (PRE) experiments are conducted to determine the distribution of urea and several biradicals within the SOS macromolecular assembly. We also demonstrate that SOS assemblies are an effective approach by which mixed biradicals are created through an assembly process.

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