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Hi, I am a person with a Computer Science background who is dealing with some NMR dataset. I am concerned with the assignment of NMR peaks from several experiments. For structure determination, I am dealing with 3D-NOESY data. I am finding it a little hard to comprehend what the several peaks mean here. I understand what the peaks in a 2D dataset like 1H-1H NOESY dataset mean but not on higher dimensions.

I do not understand the nomenclature followed in the naming of NOESY experiments because I feel a little lost in all the technical details in the text that discuss this. Can somebody help me understand what the experiment measures by looking at the name? One such experiment I deal with is 3D CCH-NOESY. Would there be a catalog that lists all such experiments?

Thanks!

asked Jun 09 '11 at 18:27

Pyrocs's gravatar image

Pyrocs
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hi,

Usually, 3D-noesy use 2D plane to correlate two nuclei attached together (correlation through bonds) and a third dimension to correlate nuclei through space (dipolar coupling).

So, 3D CCH-noesy is composed by a plane that correlates a carbon and its attached proton (correlation based on interaction of two nuclear spin mediate by electronic orbital) and a third dimension that correlates this latest carbon with other carbon that are closed in space (interaction of two magnetic moment, through space).

Thus, you have to know assignment (resonance of each proton and carbon) of your compound (I guess a protein ?), and with this 3D spectra, you can know which carbon is near your H-C couple. This information is also used as a constraint for structure calculation by restraint molecular dynamic.

I guess this answer can help you ! YM

link

answered Jun 10 '11 at 02:21

Yoan%20Monneau's gravatar image

Yoan Monneau
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updated Jun 10 '11 at 02:22

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