Journal of Mathematical Chemistry

, Volume 51, Issue 8, pp 1961–1980

Aliasing functions and a dynamic approach to optimizing spectral widths in 2D experiments

Original Paper

DOI: 10.1007/s10910-013-0191-2

Cite this article as:
Gómez-Reyes, J.F. & Ariza-Castolo, A. J Math Chem (2013) 51: 1961. doi:10.1007/s10910-013-0191-2

Abstract

We reduce the modulo function that describes the aliasing of an NMR signal to a floor function form. An analysis of this function is carried out and an expression that defines its points of discontinuity is derived. Based only on this definition we develop a new method to optimize the spectral widths in the \(^{13}\text{ C }\) dimension of heteronuclear 2D experiments of small organic compounds using neither the modulo function nor the definition of the overlap points. We apply this method to the carbon chemical shifts of cholesterol, and find that it unambiguously assigns all of the signals acquired in the aliased Heteronuclear Single Quantum Coherence spectrum of cholesterol with the calculated spectral width. Previous reports do not show a fully resolved 2D spectrum of cholesterol.

Keywords

Aliasing Spectral widths optimization High resolution in indirect dimensions 2D-NMR spectroscopy 

Supplementary material

10910_2013_191_MOESM1_ESM.nb (38 kb)
Supplementary material 1 (nb 37 KB)
10910_2013_191_MOESM2_ESM.txt (0 kb)
Supplementary material 2 (txt 0 KB)

Copyright information

© Springer Science+Business Media New York 2013

Authors and Affiliations

  1. 1.Departamento de QuímicaCentro de Investigación y de Estudios Avanzados del IPNMexicoMexico