NMR spectroscopy for metabolomics research

AH Emwas, R Roy, RT McKay, L Tenori, E Saccenti… - Metabolites, 2019 - mdpi.com
Over the past two decades, nuclear magnetic resonance (NMR) has emerged as one of the
three principal analytical techniques used in metabolomics (the other two being gas …

The human oral microbiome in health and disease: from sequences to ecosystems

JR Willis, T Gabaldón - Microorganisms, 2020 - mdpi.com
The human oral cavity is home to an abundant and diverse microbial community (ie, the oral
microbiome), whose composition and roles in health and disease have been the focus of …

High‐throughput metabolomics by 1D NMR

A Vignoli, V Ghini, G Meoni, C Licari… - Angewandte Chemie …, 2019 - Wiley Online Library
Metabolomics deals with the whole ensemble of metabolites (the metabolome). As one of
the‐omic sciences, it relates to biology, physiology, pathology and medicine; but metabolites …

Metagenomics, metatranscriptomics, and metabolomics approaches for microbiome analysis: supplementary issue: bioinformatics methods and applications for big …

V Aguiar-Pulido, W Huang… - Evolutionary …, 2016 - journals.sagepub.com
Microbiomes are ubiquitous and are found in the ocean, the soil, and in/on other living
organisms. Changes in the microbiome can impact the health of the environmental niche in …

Double-check: validation of diagnostic statistics for PLS-DA models in metabolomics studies

E Szymańska, E Saccenti, AK Smilde, JA Westerhuis - Metabolomics, 2012 - Springer
Abstract Partial Least Squares-Discriminant Analysis (PLS-DA) is a PLS regression method
with a special binary 'dummy'y-variable and it is commonly used for classification purposes …

NMR and pattern recognition methods in metabolomics: from data acquisition to biomarker discovery: a review

A Smolinska, L Blanchet, LMC Buydens… - Analytica chimica …, 2012 - Elsevier
Metabolomics is the discipline where endogenous and exogenous metabolites are
assessed, identified and quantified in different biological samples. Metabolites are crucial …

Targeted and Nontargeted Wine Analysis by 1H NMR Spectroscopy Combined with Multivariate Statistical Analysis. Differentiation of Important Parameters: Grape …

R Godelmann, F Fang, E Humpfer… - Journal of agricultural …, 2013 - ACS Publications
The authenticity, the grape variety, the geographical origin, and the year of vintage of wines
produced in Germany were investigated by 1H NMR spectroscopy in combination with …

Standardizing the experimental conditions for using urine in NMR-based metabolomic studies with a particular focus on diagnostic studies: a review

AH Emwas, C Luchinat, P Turano, L Tenori, R Roy… - Metabolomics, 2015 - Springer
The metabolic composition of human biofluids can provide important diagnostic and
prognostic information. Among the biofluids most commonly analyzed in metabolomic …

Standard operating procedures for pre-analytical handling of blood and urine for metabolomic studies and biobanks

P Bernini, I Bertini, C Luchinat, P Nincheri… - Journal of biomolecular …, 2011 - Springer
Abstract 1 H NMR metabolic profiling of urine, serum and plasma has been used to monitor
the impact of the pre-analytical steps on the sample quality and stability in order to propose …

[HTML][HTML] The role of the gut microbiome in predicting response to diet and the development of precision nutrition models. Part II: results

RL Hughes, ME Kable, M Marco, NL Keim - Advances in nutrition, 2019 - Elsevier
The gut microbiota is increasingly implicated in the health and metabolism of its human host.
The host's diet is a major component influencing the composition and function of the gut …