Improving the Performance of High-Precision qNMR Measurements
by a Double Integration Procedure in Practical Cases
Version 2 2016-03-30, 13:29
Version 1 2016-03-14, 12:48
Posted on 2016-02-29 - 00:00
Quantitative 1H NMR (qNMR)
is a widely applied technique
for compound concentration and purity determinations. The NMR spectrum
will display signals from all species in the sample, and this is generally
a strength of the method. The key spectral determination is the full
and accurate determination of one or more signal areas. Accurate peak
integration can be an issue when unrelated peaks resonate in an important
integral region. We describe a “hybrid” approach to
signal integration that provides an accurate estimation of signal
area, removing the component(s) that may arise from unrelated peaks.
This is achieved by using the most accurate integration method for
the region and removing unwanted contributions. The key to this performing
well, and in almost all cases, is the use of areas from deconvolved
peaks. We describe this process and show that it can be very successfully
applied to cases where the highest precision is required and for more
common cases of NMR-based quantitation.
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Schoenberger, Torsten; Menges, Sonja; Bernstein, Michael A.; Pérez, Manuel; Seoane, Felipe; Sýkora, Stanislav; et al. (2016). Improving the Performance of High-Precision qNMR Measurements
by a Double Integration Procedure in Practical Cases. ACS Publications. Collection. https://doi.org/10.1021/acs.analchem.5b04911
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AUTHORS (7)
TS
Torsten Schoenberger
SM
Sonja Menges
MB
Michael A. Bernstein
MP
Manuel Pérez
FS
Felipe Seoane
SS
Stanislav Sýkora
CC
Carlos Cobas