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 …

[HTML][HTML] From correlation to causation: analysis of metabolomics data using systems biology approaches

A Rosato, L Tenori, M Cascante, PR De Atauri Carulla… - Metabolomics, 2018 - Springer
Introduction Metabolomics is a well-established tool in systems biology, especially in the top–
down approach. Metabolomics experiments often results in discovery studies that provide …

[HTML][HTML] Network-based strategies in metabolomics data analysis and interpretation: from molecular networking to biological interpretation

L Perez De Souza, S Alseekh, Y Brotman… - Expert Review of …, 2020 - Taylor & Francis
Introduction Metabolomics has become a crucial part of systems biology; however, data
analysis is still often undertaken in a reductionist way focusing on changes in individual …

Uniqueness of the NMR approach to metabolomics

PG Takis, V Ghini, L Tenori, P Turano… - TrAC Trends in Analytical …, 2019 - Elsevier
NMR measures a relatively small portion of the human metabolome, which roughly
corresponds to all free small molecules present in concentrations≥ 1 μM. However, the …

Approaches to sample size determination for multivariate data: Applications to PCA and PLS-DA of omics data

E Saccenti, ME Timmerman - Journal of proteome research, 2016 - ACS Publications
Sample size determination is a fundamental step in the design of experiments. Methods for
sample size determination are abundant for univariate analysis methods, but scarce in the …

Age and sex effects on plasma metabolite association networks in healthy subjects

A Vignoli, L Tenori, C Luchinat… - Journal of proteome …, 2018 - ACS Publications
In the era of precision medicine, the analysis of simple information like sex and age can
increase the potential to better diagnose and treat conditions that occur more frequently in …

[HTML][HTML] A comparative metabolomics approach reveals early biomarkers for metabolic response to acute myocardial infarction

SE Ali, MA Farag, P Holvoet, RS Hanafi, MZ Gad - Scientific reports, 2016 - nature.com
Discovery of novel biomarkers is critical for early diagnosis of acute coronary syndrome
(ACS). Serum metabolite profiling of ST-elevation myocardial infarction (STEMI), unstable …

[HTML][HTML] Information theory in computational biology: where we stand today

P Chanda, E Costa, J Hu, S Sukumar, J Van Hemert… - Entropy, 2020 - mdpi.com
“A Mathematical Theory of Communication” was published in 1948 by Claude Shannon to
address the problems in the field of data compression and communication over (noisy) …

[HTML][HTML] An untargeted metabolomics approach to characterize short-term and long-term metabolic changes after bariatric surgery

SH Narath, SI Mautner, E Svehlikova, B Schultes… - PloS one, 2016 - journals.plos.org
Bariatric surgery is currently one of the most effective treatments for obesity and leads to
significant weight reduction, improved cardiovascular risk factors and overall survival in …

Plasma and serum metabolite association networks: Comparability within and between studies using NMR and MS profiling

M Suarez-Diez, J Adam, J Adamski… - Journal of Proteome …, 2017 - ACS Publications
Blood is one of the most used biofluids in metabolomics studies, and the serum and plasma
fractions are routinely used as a proxy for blood itself. Here we investigated the association …