Deuterium‐and tritium‐labelled compounds: applications in the life sciences

J Atzrodt, V Derdau, WJ Kerr… - Angewandte chemie …, 2018 - Wiley Online Library
Hydrogen isotopes are unique tools for identifying and understanding biological and
chemical processes. Hydrogen isotope labelling allows for the traceless and direct …

A tutorial review: Metabolomics and partial least squares-discriminant analysis–a marriage of convenience or a shotgun wedding

PS Gromski, H Muhamadali, DI Ellis, Y Xu, E Correa… - Analytica chimica …, 2015 - Elsevier
The predominance of partial least squares-discriminant analysis (PLS-DA) used to analyze
metabolomics datasets (indeed, it is the most well-known tool to perform classification and …

Using MetaboAnalyst 4.0 for comprehensive and integrative metabolomics data analysis

J Chong, DS Wishart, J Xia - Current protocols in bioinformatics, 2019 - Wiley Online Library
Abstract MetaboAnalyst (https://www. metaboanalyst. ca) is an easy‐to‐use web‐based tool
suite for comprehensive metabolomic data analysis, interpretation, and integration with other …

[HTML][HTML] Treatment of active Crohn's disease with an ordinary food-based diet that replicates exclusive enteral nutrition

V Svolos, R Hansen, B Nichols, C Quince, UZ Ijaz… - Gastroenterology, 2019 - Elsevier
Background & Aims Exclusive enteral nutrition (EEN) is the only established dietary
treatment for Crohn's disease (CD), but its acceptability is limited. There is a need for novel …

The Winchcombe meteorite, a unique and pristine witness from the outer solar system

AJ King, L Daly, J Rowe, KH Joy, RC Greenwood… - Science …, 2022 - science.org
Direct links between carbonaceous chondrites and their parent bodies in the solar system
are rare. The Winchcombe meteorite is the most accurately recorded carbonaceous …

Topic modeling for untargeted substructure exploration in metabolomics

JJJ van Der Hooft, J Wandy… - Proceedings of the …, 2016 - National Acad Sciences
The potential of untargeted metabolomics to answer important questions across the life
sciences is hindered because of a paucity of computational tools that enable extraction of …

Data processing, multi-omic pathway mapping, and metabolite activity analysis using XCMS Online

EM Forsberg, T Huan, D Rinehart, HP Benton… - Nature protocols, 2018 - nature.com
Abstract Systems biology is the study of complex living organisms, and as such, analysis on
a systems-wide scale involves the collection of information-dense data sets that are …

[HTML][HTML] Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and …

R Di Guida, J Engel, JW Allwood, RJM Weber… - Metabolomics, 2016 - Springer
Introduction The generic metabolomics data processing workflow is constructed with a serial
set of processes including peak picking, quality assurance, normalisation, missing value …

Serine is a natural ligand and allosteric activator of pyruvate kinase M2

B Chaneton, P Hillmann, L Zheng, ACL Martin… - Nature, 2012 - nature.com
Cancer cells exhibit several unique metabolic phenotypes that are critical for cell growth and
proliferation. Specifically, they overexpress the M2 isoform of the tightly regulated enzyme …

[HTML][HTML] IPO: a tool for automated optimization of XCMS parameters

G Libiseller, M Dvorzak, U Kleb, E Gander… - BMC …, 2015 - Springer
Background Untargeted metabolomics generates a huge amount of data. Software
packages for automated data processing are crucial to successfully process these data. A …