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Fast Metabolite Identification in Nuclear Magnetic Resonance Metabolomic Studies: Statistical Peak Sorting and Peak Overlap Detection for More Reliable Database Queries
(American Chemical Society, 2018-01)
A lot of time is spent by researchers in the identification of metabolites in NMR-based metabolomic studies. The usual metabolite identification starts employing public or commercial databases to match chemical shifts ...
Tackling the Peak Overlap Issue in NMR Metabolomics Studies: 1D Projected Correlation Traces from Statistical Correlation Analysis on Nontilted 2D 1 H NMR J-Resolved Spectra
(American Chemical Society, 2019-05)
The identification of metabolites in complex biological matrices is a challenging task in 1D 1 H-NMR-based metabolomics studies. Statistical total correlation spectroscopy (STOCSY) has emerged for aiding the structural ...
Consecutive Queries to Assess Biological Correlation in NMR Metabolomics: Performance of Comprehensive Search of Multiplets over Typical 1D 1H NMR Database Search
(American Chemical Society, 2020-05-25)
NMR-based metabolomics requires proper identification of metabolites to draw conclusions from the system under study. Normally, multivariate data analysis is performed using 1D 1H NMR spectra, and identification of peaks ...
Correlación estadística entre resonancia magnética nuclear y otras técnicas espectroscópicas en el análisis metabolómico
(Pontificia Universidad Católica del PerúPE, 2023)
Correlación estadística entre resonancia magnética nuclear y otras técnicas espectroscópicas en el análisis metabolómico
(Pontificia Universidad Católica del PerúPE, 2023)