Wishing everyone a Merry Christmas! As a newcomer to prostate MRS research, may I ask where I can find information on the chemical shifts and J-coupling constants of spermine, in order to generate a basis-set for analysis in LCModel?
Happy holidays!
I found only one paper that had estimated coupling constant values for spermine: https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/nbm.1592;
Robin de Graaf’s book contains a table for all the polyamines (Table 2.2), albeit without coupling constants, and the chemical shifts appear to be different than in the Klomp paper (probably pH?!):
Also note https://onlinelibrary.wiley.com/doi/epdf/10.1002/mrm.25122 for discussion of pH and temperature dependence.
It looks like other people have taken to mixing a phantom and measuring spermine (e.g. Quantitative (1) H MR spectroscopic imaging of the prostate gland using LCModel and a dedicated basis-set: correlation with histologic findings - PubMed).
If I look at Figure 7 in the Klomp paper, I suspect you might even get away with just fitting the Spm resonance with a single well-parametrized Voigtian (much like you’d fit an MM/Lip signal).
Good luck and let us know what you find out!
This is brilliant! I’m going to dive right in and try out the approaches you suggested. I really appreciate you taking the time to share these detailed and practical pointers – it’s incredibly helpful.
Thanks again, and all the best
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