Interesting Publications

Some publications listed here may be of interest to you:

Proton deficient molecules are generally considered difficult to do structure validation and/or elucidation on. However, there have been some recent advancements. Let me know if you want to try some of these pulse programs.

1).Broadband inversion of 1Jcc responses in 1,n-ADEQUATE spectra M. Reibarkh,R.T. Williamson,G.E. Martin, W. Bermel J. Magn. Reson., 236(2013) pp.126-133 

This has been implemented in Bruker. The pulse program is called adeq1netgprdsp.

2).LR-HSQMBC:A Sensitive NMR Technique To Probe Very Long-Range Heteronuclear Coupling Pathways R.T. Williamson, A.V. Buevich,G.E. Martin, T. Parella J. Org. Chem., 79(2014),pp.3887-3894  

3).Using LR-HSQMBC to observe long-range 1H-15N correlations R.T. Williamson, A.V. Buevich, G.E. Martin Tetrahedron Lett., 55(2014),pp.3365-3366  

4).13C NMR spectroscopy for the quantitative determination of compound ratios and polymer end groups D.A.L. Otte, D.E. Borchmann, C. Lin, M. Weck, K.A. Woerpel. Org. Lett. 16,6, (2014),1566-1569 

In the above article in Organic Letters, 1D 13C NMR, whether it be broad-band-decoupled(during both d1 and acquisition) or inverse-gated-decoupled and acquired with short d1 is proven to be a convenient quantitative tool to obtain ratios of diastereomers,regioisomers,constitutional isomers,mixtures of unrelated compounds, peptoids,and sugars when care is taken to consider differences in NOEs, and relaxation times.

5).The role of computer-assisted structure elucidation (CASE) programs in the structure elucidation of complex natural products D.C. Burns, E.P. Mazzola, W.F.Reynolds. Nat. Prod. Rep.,36(2019),919-933 

The above paper describes four computer-assisted structure elucidation(CASE) programs used for natural products. We currently don't have the license for the structure elucidation plug-in for Mnova. Topspin software which is free and available on Bruker website comes with CMC-se but also with limited functionality.