Abstract
Metabolomics techniques are now applied in numerous fields, with the ability to provide information concerning a large number of metabolites from a single sample in a short timeframe. Although high-frequency (HF) nuclear magnetic resonance (NMR) analysis represents a common method of choice to perform such studies, few investigations employing low-frequency (LF) NMR spectrometers have yet been published. Herein, we apply and contrast LF and HF 1H-NMR metabolomics approaches to the study of urine samples collected from type 2 diabetic patients (T2D), and apply a comparative investigation with healthy controls. Additionally, we explore the capabilities of LF 1H-1H 2D correlation spectroscopy (COSY) experiments regarding the determination of metabolites, their resolution and associated analyses in human urine samples. T2D samples were readily distinguishable from controls, with several metabolites, particularly glucose, being associated with this distinction. Comparable results were obtained with HF and LF spectrometers. Linear correlation analyses were performed to derive relationships between the intensities of 1D and 2D resonances of several metabolites, and R2 values obtained were able to confirm these, an observation attesting to the validity of employing 2D LF experiments for future applications in metabolomics studies. Our data suggest that LF spectrometers may prove to be easy-to-use, compact and inexpensive tools to perform routine metabolomics analyses in laboratories and ‘point-of-care’ sites. Furthermore, the quality of 2D spectra obtained from these instruments in half an hour would broaden the horizon of their potential applications.
Highlights
High-frequency (HF) 1 H nuclear magnetic resonance (NMR) analysis has been successfully developed to be applied in untargeted metabolomics investigations, through decades of successive optimisations with a wide range of biological media [1]
It should be noted that the urea resonance located at δ = 5.7 ppm, which is readily detectable in the HF spectra, is much less visible in the 60 MHz profiles in view of this interfering signal, which as expected, is certainly not observed when glucose is not 1 H NMR-detectable in urine samples (Figure 1B)
NMR spectroscopy is a powerful and reliable tool to assess the molecular compositions of biosamples using multivariate metabolomics strategies
Summary
High-frequency (HF) 1 H NMR analysis has been successfully developed to be applied in untargeted metabolomics investigations, through decades of successive optimisations with a wide range of biological media [1]. In addition to pathologies, such approaches may provide a complete and systematic profiling of metabolites and their temporal changes caused by factors such as diet, lifestyle, environment and administered drugs This is possible through the multicomponent analysis of body fluids and/or extracts of tissue biopsy samples, coupled with a statistical interpretational strategy known as multivariate analysis [4]. In view of its multicomponent analytical advantages, HF NMR analysis serves as a powerful tool for the simultaneous and rapid identification and quantification of large numbers of biomolecules present in biofluids or tissue sample extracts It is ideal for probing the metabolic profiles of complex samples collected from living systems, for diagnostic or prognostic purposes [5,6]
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