Current practice of liquid chromatography–mass spectrometry in metabolomics and metabonomics

HG Gika, GA Theodoridis, RS Plumb… - Journal of pharmaceutical …, 2014 - Elsevier
Based on publication and citation numbers liquid chromatography (LC–MS) has become the
major analytical technology in the field of global metabolite profiling. This dominance reflects …

Mass spectrometry‐based holistic analytical approaches for metabolite profiling in systems biology studies

G Theodoridis, HG Gika… - Mass spectrometry reviews, 2011 - Wiley Online Library
Metabonomics and metabolomics represent one of the three major platforms in systems
biology. To perform metabolomics it is necessary to generate comprehensive “global” …

Objective set of criteria for optimization of sample preparation procedures for ultra-high throughput untargeted blood plasma lipid profiling by ultra performance liquid …

MH Sarafian, M Gaudin, MR Lewis, FP Martin… - Analytical …, 2014 - ACS Publications
Exploratory or untargeted ultra performance liquid chromatography–mass spectrometry
(UPLC–MS) profiling offers an overview of the complex lipid species diversity present in …

Statistical methods for handling unwanted variation in metabolomics data

AMD Livera, M Sysi-Aho, L Jacob… - Analytical …, 2015 - ACS Publications
Metabolomics experiments are inevitably subject to a component of unwanted variation, due
to factors such as batch effects, long runs of samples, and confounding biological variation …

Mass spectrometry based environmental metabolomics: a primer and review

MR Viant, U Sommer - Metabolomics, 2013 - Springer
Environmental metabolomics can be described as the study of the interactions of living
organisms with their natural environments at the metabolic level. Until recently, nuclear …

Metabolomics data normalization with EigenMS

YV Karpievitch, SB Nikolic, R Wilson, JE Sharman… - PloS one, 2014 - journals.plos.org
Liquid chromatography mass spectrometry has become one of the analytical platforms of
choice for metabolomics studies. However, LC-MS metabolomics data can suffer from the …

Optimizing the use of quality control samples for signal drift correction in large-scale urine metabolic profiling studies

MA Kamleh, TMD Ebbels, K Spagou… - Analytical …, 2012 - ACS Publications
The evident importance of metabolic profiling for biomarker discovery and hypothesis
generation has led to interest in incorporating this technique into large-scale studies, eg …

Batch Normalizer: a fast total abundance regression calibration method to simultaneously adjust batch and injection order effects in liquid chromatography/time-of …

SY Wang, CH Kuo, YJ Tseng - Analytical chemistry, 2013 - ACS Publications
Metabolomics is a powerful tool for understanding phenotypes and discovering biomarkers.
Combinations of multiple batches or data sets in large cross-sectional epidemiology studies …

Assessment of premium organic orange juices authenticity using HPLC-HR-MS and HS-SPME-GC-MS combining data fusion and chemometrics

FJ Cuevas, G Pereira-Caro, JM Moreno-Rojas… - Food Control, 2017 - Elsevier
This study aims to develop a robust chemometric approach to make it possible to
authenticate European premium organic orange juices. The metabolomic fingerprinting and …

Investigation of the derivatization conditions for GC–MS metabolomics of biological samples

G Moros, AC Chatziioannou, HG Gika, N Raikos… - Bioanalysis, 2017 - Taylor & Francis
Aim: Metabolomics applications represent an emerging field where significant efforts are
directed. Derivatization consists prerequisite for GC–MS metabolomics analysis. Methods …