Chemometric methods in data processing of mass spectrometry-based metabolomics: A review

L Yi, N Dong, Y Yun, B Deng, D Ren, S Liu… - Analytica chimica acta, 2016 - Elsevier
This review focuses on recent and potential advances in chemometric methods in relation to
data processing in metabolomics, especially for data generated from mass spectrometric …

Mass appeal: metabolite identification in mass spectrometry-focused untargeted metabolomics

WB Dunn, A Erban, RJM Weber, DJ Creek, M Brown… - Metabolomics, 2013 - Springer
Metabolomics has advanced significantly in the past 10 years with important developments
related to hardware, software and methodologies and an increasing complexity of …

Navigating freely-available software tools for metabolomics analysis

R Spicer, RM Salek, P Moreno, D Cañueto… - Metabolomics, 2017 - Springer
Introduction The field of metabolomics has expanded greatly over the past two decades,
both as an experimental science with applications in many areas, as well as in regards to …

Introducing BASE: the Biomes of Australian Soil Environments soil microbial diversity database

A Bissett, A Fitzgerald, T Meintjes, PM Mele, F Reith… - GigaScience, 2016 - Springer
Background Microbial inhabitants of soils are important to ecosystem and planetary
functions, yet there are large gaps in our knowledge of their diversity and ecology. The …

Annotation: a computational solution for streamlining metabolomics analysis

X Domingo-Almenara… - Analytical …, 2017 - pmc.ncbi.nlm.nih.gov
Metabolite identification is still considered an imposing bottleneck in liquid chromatography
mass spectrometry (LC/MS) untargeted metabolomics. The identification workflow usually …

A complete workflow for high-resolution spectral-stitching nanoelectrospray direct-infusion mass-spectrometry-based metabolomics and lipidomics

AD Southam, RJM Weber, J Engel, MR Jones… - Nature protocols, 2017 - nature.com
Metabolomic and lipidomic studies measure and discover metabolic and lipid profiles in
biological samples, enabling a better understanding of the metabolism of specific biological …

Mass spectrometry in plant metabolomics strategies: from analytical platforms to data acquisition and processing

M Ernst, DB Silva, RR Silva, RZN Vêncio… - Natural product …, 2014 - pubs.rsc.org
Covering: up to 2013. Plant metabolomics is a relatively recent research field that has
gained increasing interest in the past few years. Up to the present day numerous review …

Mining the unknown: a systems approach to metabolite identification combining genetic and metabolic information

J Krumsiek, K Suhre, AM Evans, MW Mitchell… - 2012 - journals.plos.org
Recent genome-wide association studies (GWAS) with metabolomics data linked genetic
variation in the human genome to differences in individual metabolite levels. A strong …

Direct infusion mass spectrometry metabolomics dataset: a benchmark for data processing and quality control

JA Kirwan, RJM Weber, DI Broadhurst, MR Viant - Scientific data, 2014 - nature.com
Direct-infusion mass spectrometry (DIMS) metabolomics is an important approach for
characterising molecular responses of organisms to disease, drugs and the environment …

Wolbachia modulates lipid metabolism in Aedes albopictus mosquito cells

JC Molloy, U Sommer, MR Viant… - Applied and …, 2016 - Am Soc Microbiol
Certain strains of the intracellular endosymbiont Wolbachia can strongly inhibit or block the
transmission of viruses such as dengue virus (DENV) by Aedes mosquitoes, and the …