The importance of experimental design and QC samples in large-scale and MS-driven untargeted metabolomic studies of humans

WB Dunn, ID Wilson, AW Nicholls, D Broadhurst - Bioanalysis, 2012 - Taylor & Francis
The metabolic investigation of the human population is becoming increasingly important in
the study of health and disease. The phenotypic variation can be investigated through the …

Data-processing strategies for metabolomics studies

MMWB Hendriks, FA van Eeuwijk, RH Jellema… - TrAC Trends in …, 2011 - Elsevier
Metabolomics studies aim at a better understanding of biochemical processes by studying
relations between metabolites and between metabolites and other types of information (eg …

Statistical workflow for feature selection in human metabolomics data

J Antonelli, BL Claggett, M Henglin, A Kim, G Ovsak… - Metabolites, 2019 - mdpi.com
High-throughput metabolomics investigations, when conducted in large human cohorts,
represent a potentially powerful tool for elucidating the biochemical diversity underlying …

Untargeted metabolomics strategies—challenges and emerging directions

AC Schrimpe-Rutledge, SG Codreanu… - Journal of the …, 2016 - ACS Publications
Metabolites are building blocks of cellular function. These species are involved in enzyme-
catalyzed chemical reactions and are essential for cellular function. Upstream biological …

Interlaboratory reproducibility of a targeted metabolomics platform for analysis of human serum and plasma

AP Siskos, P Jain, W Römisch-Margl… - Analytical …, 2017 - ACS Publications
A critical question facing the field of metabolomics is whether data obtained from different
centers can be effectively compared and combined. An important aspect of this is the …

Frontiers of high-throughput metabolomics

M Zampieri, K Sekar, N Zamboni, U Sauer - Current opinion in chemical …, 2017 - Elsevier
Highlights•Metabolomics enables rapid measurements at 10–100 times higher throughput
than proteomics.•The achievable throughput opens entirely new scientific and medical …

Current practices in LC-MS untargeted metabolomics: A scoping review on the use of pooled quality control samples

CD Broeckling, RD Beger, LL Cheng… - Analytical …, 2023 - ACS Publications
Untargeted metabolomics is an analytical approach with numerous applications serving as
an effective metabolic phenotyping platform to characterize small molecules within a …

Eight key rules for successful data‐dependent acquisition in mass spectrometry‐based metabolomics

E Defossez, J Bourquin, S von Reuss… - Mass Spectrometry …, 2023 - Wiley Online Library
In recent years, metabolomics has emerged as a pivotal approach for the holistic analysis of
metabolites in biological systems. The rapid progress in analytical equipment, coupled to the …

Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry

WB Dunn, D Broadhurst, P Begley, E Zelena… - Nature protocols, 2011 - nature.com
Metabolism has an essential role in biological systems. Identification and quantitation of the
compounds in the metabolome is defined as metabolic profiling, and it is applied to define …

Standard reporting requirements for biological samples in metabolomics experiments: mammalian/in vivo experiments

JL Griffin, AW Nicholls, CA Daykin, S Heald, HC Keun… - Metabolomics, 2007 - Springer
With the increasing production of metabolomic data there is an awareness of a need for a
standardised description of this data to aid assessment, exchange, storage and curation of …