NMR-based metabolomics: From sample preparation to applications in nutrition research

Brennan, Lorraine

doi:10.1016/j.pnmrs.2014.09.001

Cited by 97 publications

(77 citation statements)

References 69 publications

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“…Nuclear Magnetic Resonance (NMR) in metabolomics is a fast, robust, reproducible, non-destructive technique (Wishart, 2008). Metabolomics allows a global description of metabolites that gives detailed information on metabolic pathways and in turn on biological processes, thereby clarifying associations with health benefits and elucidating underlying mechanisms (Brennan, 2014). Untargeted metabolomics is generally used for the discovery of metabolites and modifications in global metabolic pathways, whereas targeted metabolomics is focused on specific metabolic pathways (Xu, Wang, Ho, & Ong, 2014).…”

Section: Introductionmentioning

confidence: 99%

Impact of chlorogenic acids from coffee on urine metabolome in healthy human subjects

Madrid-Gambin

Vázquez-Fresno

Vegas

et al. 2016

Food Research International

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HIGHLIGHTS Acute intake of CGAs from coffee impacts on central energetic metabolism. Sustained intake of CGAs from coffee plays a role in microbiota-derived compounds. Trigonelline is a coffee extract beverage biomarker in short-and long-term. Direct excretion of trigonelline would avoid interindividual variation. The use of uni-and multivariate analyses reinforced the biological effects. ABSTRACTSeveral studies suggest that coffee has some benefits for health; however, little is known about the specific role of the main polyphenol compounds of coffee, chlorogenic acids (CGAs), without caffeine interaction. A 1 H-Nuclear Magnetic Resonance ( 1 H-NMR)-based metabolomics approach was used to assess the effect of CGAs from coffee on the human urine metabolome. Ten male volunteers participated in a dietary crossover randomized intervention study with a rich CGAs coffee extract beverage (CEB: 223 mg/100 ml of CGAs). The study consisted of a daily intake of CEB or a control beverage with equal caffeine dose during 28 days. Fasting urines collected at the first and last days of each period of the study were analyzed using an CGAs untargeted 1 H-NMR approach. Additionally, 4-hour postpandrial urines after the first intake of each beverage were also analyzed. Uni-and multi-variate statistic approaches 2 were used to strengthen the results. Multilevel partial least squares discriminant analysis (ML-PLS-DA) was used to paired comparisons across the crossover design. A further univariate analysis model for crossover studies was performed to assess the significant changes. Acute consumption of CEB resulted in high excretion of 2-furoylglycine, likewise endogenous compounds such as succinic, citric, 3-methyl-2-oxovaleric and isobutyric acids. Sustained consumption of CEB showed an increase of microbiota-derived compounds such as hippuric, 3-(3-Hydroxyphenyl)-3-hydroxypropionic and 3-hydroxyhippuric acids in urine. Moreover, trigonelline was found in urine after both acute and sustained intakes, as well as in the composition of the beverage exhibiting a direct excretion of this biomarker without any biotransformation, suggesting a non-interindividual variation.

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Section: Introductionmentioning

confidence: 99%

Impact of chlorogenic acids from coffee on urine metabolome in healthy human subjects

Madrid-Gambin

Vázquez-Fresno

Vegas

et al. 2016

Food Research International

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“…all metabolites will be detected once they are present in concentrations above the limit of detection. Two-dimensional (2D) NMR experiments such as TOCSY, 1 H J-RES and 1 H- 13 C HSQC are important to use in conjunction with one-dimensional spectra for metabolite identification (21) and to compare with reference databases such as the Human Metabolome Database (22) and Biological Magnetic Resonance Databank (23) . In addition, one-dimensional and 2D NMR experiments offer the potential to identify previously unknown metabolites (24) .…”

Section: Nmr Spectroscopymentioning

confidence: 99%

“…For example, the use of labelled compounds can lead to significant improvements in sensitivity (e.g. using 13 C or 15 N NMR) (28) and instrumental advances such as the use of cryogenically cooled probes and microcoil probes have also enhanced sensitivity, allowing the detection of metabolites at low abundance (21,29) . A. O'Gorman and L. Brennan 296 In recent years, a number of software packages have been developed that support semi-automatic NMR spectral profiling of one-dimensional and 2D 1 H NMR spectra (30,31) .…”

Section: Nmr Spectroscopymentioning

confidence: 99%

The role of metabolomics in determination of new dietary biomarkers

O’Gorman

Brennan

2017

Proc. Nutr. Soc.

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Traditional methods for the assessment of dietary intake are prone to error; in order to improve and enhance these methods increasing interest in the identification of dietary biomarkers has materialised. Metabolomics has emerged as a key tool in the area of dietary biomarker discovery and to date the use of metabolomics has identified a number of putative biomarkers. Applications to identify novel biomarkers of intake have in general taken three approaches: (1) specific acute intervention studies to identify specific biomarkers of intake; (2) searching for biomarkers in cohort studies by correlating to self-reported intake of a specific food/food group(s); (3) analysing dietary patterns in conjunction with metabolomic profiles to identify biomarkers and nutritypes. A number of analytical technologies are employed in metabolomics as currently there is no single technique capable of measuring the entire metabolome. These approaches each have their own advantages and disadvantages. The present review will provide an overview of current technologies and applications of metabolomics in the determination of new dietary biomarkers. In addition, it will address some of the current challenges in the field and future outlooks.

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“…NMR was the first analytical platform used for comprehensive measurement of metabolites present in a biological sample [77]. It is highly selective, non-destructive technique which require minimal sample preparation [78]. It is generally accepted as the gold standard in metabolite structural elucidation, but its drawback is relatively low sensitivity [79].…”

Section: Analytical Tools For Metabolomicsmentioning

confidence: 99%

Metabolomics — A wide-open door to personalized treatment in chronic heart failure?

Marcinkiewicz-Siemion

Ciborowski

Krętowski

et al. 2016

International Journal of Cardiology

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NMR-based metabolomics: From sample preparation to applications in nutrition research

Cited by 97 publications

References 69 publications

Impact of chlorogenic acids from coffee on urine metabolome in healthy human subjects

Impact of chlorogenic acids from coffee on urine metabolome in healthy human subjects

The role of metabolomics in determination of new dietary biomarkers

Metabolomics — A wide-open door to personalized treatment in chronic heart failure?

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