Work

Higher-Rank Correlation NMR Spectra with Spectral Moment Filtering

Year: 2010

Type: article

Abstract: Higher-rank correlation spectroscopy is introduced as an alternative to 3D Fourier-transform (FT) NMR spectroscopy for resonance assignment and molecular structure determination. The method combines standard 2D FT spectra that share a common frequency dimension, such as a 2D (13)C-(1)H HSQC and a 2D (1)H-(1)H TOCSY spectrum, and constructs higher-rank correlation spectra with ultra-high spectral resolution. Spectral overlap along a common dimension, in particular the (1)H dimension, is addressed by a spectral filtering method, which identifies mismatches between the 1(st) and 2(nd) moments of cross-peak profiles. The method, which provides a substantial speed-up over traditional 3D FT spectroscopy while effectively suppressing false peaks, is demonstrated for the triple-rank (13)C-(1)H HSQC-TOCSY spectrum of a cyclic decapeptide with different mixing times. Higher-rank correlation spectroscopy is usefully applicable to the analysis of a wide range of NMR spectra of synthetic and natural products.

Source: The Journal of Physical Chemistry Letters

DOI: 10.1021/jz100264g

Authors: Kerem Bingol, Roberto K. Salinas, Rafael Brüschweiler

Institutions: Florida State University, National High Magnetic Field Laboratory

Language: English

Topic: Advanced NMR Techniques and Applications

Subfield: Spectroscopy

Field: Chemistry

Domain: Physical Sciences

Open Access status: green

Funder: National Institute of General Medical Sciences

Award: G969397630