Question from NMRWiki Q&A forum How to study polymer degradation by gamma and X-Ray radiation?

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[Question from NMRWiki Q&A forum] How to study polymer degradation by gamma and X-Ray radiation?

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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:

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03-16-2011, 06:24 PM

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How to study polymer degradation by gamma and X-Ray radiation?

How to study polymer degradation by gamma and X-Ray radiation?

Hi, I was asked to study polyethylene degradated by gamma and Xrays. I planed to measure relaxations rates, but which one is the most relevant to highlight chain degradation? T1, T2, but on 1H or 13C? By reading some articles, I feel T2 is not very interesting, right? T1rho experiments seems to give good results, I have found 2 sequences in Bruker's library, T1rhoX (CP step then variable length spin lock pulse on 13C channel) and T1rhoH (CP step then variable length spin lock pulse on 1H channel), and there is also the more classical variable contact time experiment, I don't know which one to use... Is there a more relevant relaxation rate to measure or should I try all of them and see which one gives good results ? I was also asked to study wood degradation in the same way. I have started to look for bibliography, but if anyone can suggest interesting articles... Thanks Anne

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