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 …

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 …

Bioinformatics tools for mass spectroscopy-based metabolomic data processing and analysis

M Sugimoto, M Kawakami, M Robert… - Current …, 2012 - ingentaconnect.com
Biological systems are increasingly being studied in a holistic manner, using omics
approaches, to provide quantitative and qualitative descriptions of the diverse collection of …

Cell culture metabolomics: applications and future directions

M Čuperlović-Culf, DA Barnett, AS Culf, I Chute - Drug discovery today, 2010 - Elsevier
Metabolomics represents a global quantitative assessment of metabolites within a biological
system. The metabolic analysis of cell cultures has many potential applications and …

NMR in metabolomics: From conventional statistics to machine learning and neural network approaches

C Corsaro, S Vasi, F Neri, AM Mezzasalma, G Neri… - Applied Sciences, 2022 - mdpi.com
NMR measurements combined with chemometrics allow achieving a great amount of
information for the identification of potential biomarkers responsible for a precise metabolic …

Multivariate analysis of NMR‐based metabolomic data

J Debik, M Sangermani, F Wang… - NMR in …, 2022 - Wiley Online Library
Nuclear magnetic resonance (NMR) spectroscopy allows for simultaneous detection of a
wide range of metabolites and lipids. As metabolites act together in complex metabolic …

Bioinformatics tools for cancer metabolomics

G Blekherman, R Laubenbacher, DF Cortes, P Mendes… - Metabolomics, 2011 - Springer
It is well known that significant metabolic change take place as cells are transformed from
normal to malignant. This review focuses on the use of different bioinformatics tools in …

Metabolic adaptation of human pathogenic and related nonpathogenic bacteria to extra-and intracellular habitats

TM Fuchs, W Eisenreich, J Heesemann… - FEMS microbiology …, 2012 - academic.oup.com
Most bacteria pathogenic for humans have closely related nonpathogenic counterparts that
live as saprophytes, commensals or even symbionts (mutualists) in similar or different …

Non-targeted metabolomic biomarkers and metabotypes of type 2 diabetes: A cross-sectional study of PREDIMED trial participants

M Urpi-Sarda, E Almanza-Aguilera, R Llorach… - Diabetes & …, 2019 - Elsevier
Aim To characterize the urinary metabolomic fingerprint and multi-metabolite signature
associated with type 2 diabetes (T2D), and to classify the population into metabotypes …

Quantification and statistical significance analysis of group separation in NMR-based metabonomics studies

AM Goodpaster, MA Kennedy - Chemometrics and Intelligent Laboratory …, 2011 - Elsevier
Currently, no standard metrics are used to quantify cluster separation in PCA or PLS-DA
scores plots for metabonomics studies or to determine if cluster separation is statistically …