In this paper we present a general approach for the blind identification of compounds from solutions using NMR spectroscopy and blind source separation algorithms.
Nuclear
magnetic resonance (NMR)-based metabolomic studies commonly
involve the use of T
2 filter pulse sequences
to eliminate or attenuate the broad signals from large molecules and
improve spectral resolution. In this paper, we demonstrate that the T
1ρ filter-based pulse sequence represents
an interesting alternative because it allows the stability and the
reproducibility needed for statistical analysis. The integrity of
the samples and the stability of the instruments were assessed for
different filter durations and amplitudes. We showed that the T
1ρ filter pulse sequence did not induce
sample overheating for a filter duration of up to 500 ms. The reproducibility
was evaluated and compared with the T
2 filter in serum and liver samples. The implementation is relatively
simple and provides the same statistical and analytical results as
those obtained with the standard filters. Regarding tissues analysis,
because the duration of the filter is the same as that of the spin-lock,
the synchronization of the echo delays with the magic angle spinning
(MAS) rate is no longer necessary as for T
2 filter-based sequences. The results presented in
this article aim at establishing a new protocol to improve metabolomic
studies and pave the way for future developments on T
1ρ alternative filters, in liquid and HR-MAS NMR
experiments.
1D 1H NMR spectroscopy has been widely used to monitor enzymatic activity by recording the evolution of the spectra of substrates and/or products thanks to the linear response of NMR....
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