Preprocessing of NMR metabolomics data

Scandinavian Journal of Clinical and Laboratory Investigation
Leslie R EucedaTone F Bathen

Abstract

Metabolomics involves the large scale analysis of metabolites and thus, provides information regarding cellular processes in a biological sample. Independently of the analytical technique used, a vast amount of data is always acquired when carrying out metabolomics studies; this results in complex datasets with large amounts of variables. This type of data requires multivariate statistical analysis for its proper biological interpretation. Prior to multivariate analysis, preprocessing of the data must be carried out to remove unwanted variation such as instrumental or experimental artifacts. This review aims to outline the steps in the preprocessing of NMR metabolomics data and describe some of the methods to perform these. Since using different preprocessing methods may produce different results, it is important that an appropriate pipeline exists for the selection of the optimal combination of methods in the preprocessing workflow.

References

Jan 15, 2004·Analytical Chemistry·Paul H C Eilers
Apr 27, 2005·Journal of Bioinformatics and Computational Biology·Chris Ding, Hanchuan Peng
Mar 28, 2006·Journal of Chemical Information and Modeling·Wen WuMichael W Lutz
Apr 4, 2006·Analytical Chemistry·Andrew CraigJohn C Lindon
Jun 10, 2006·BMC Genomics·Robert A van den BergMariët J van der Werf
Aug 5, 2006·Proteomics·Katherine HollywoodRoyston Goodacre
Aug 8, 2006·Journal of Magnetic Resonance·J Carlos CobasPablo García Tahoces
Sep 7, 2006·Analytical and Bioanalytical Chemistry·Zhengzheng Pan, Daniel Raftery
Jul 31, 2008·BMC Bioinformatics·Yuanxin Xi, David M Rocke
Apr 22, 2009·Toxicologic Pathology·Kurt J BoudonckMoti Rosenstock
Dec 17, 2009·Journal of Magnetic Resonance·F SavoraniS B Engelsen
May 6, 2010·Analytica Chimica Acta·Zou XiaoboMao Hanpin
Sep 11, 2010·Applied Spectroscopy·Kristian Hovde LilandBjørn-Helge Mevik
Nov 26, 2010·Analytica Chimica Acta·Guro F GiskeødegårdLutgarde M C Buydens
Nov 29, 2011·The Journal of Biological Chemistry·Elisabeth Christians
Dec 24, 2011·PloS One·Julio E PeironcelyThomas Hankemeier
Mar 23, 2012·Nature Reviews. Molecular Cell Biology·Gary J PattiGary Siuzdak
Oct 16, 2012·Analytica Chimica Acta·Agnieszka SmolinskaSybren S Wijmenga
Mar 9, 2013·American Journal of Respiratory and Critical Care Medicine·Beata MickiewiczBrent W Winston
May 21, 2013·Analytica Chimica Acta·Tom G BloembergLutgarde M C Buydens
Jan 1, 2006·Metabolomics : Official Journal of the Metabolomic Society·Carina M RubinghAge K Smilde
Jan 1, 2013·Metabolites·Trung Nghia Vu, Kris Laukens

❮ Previous
Next ❯

Citations

Oct 11, 2015·The International Journal of Neuropsychopharmacology·Sumit Sethi, Elisa Brietzke
Dec 22, 2019·Metabolomics : Official Journal of the Metabolomic Society·Léa GauthierNicolas Mazzella
Mar 20, 2019·Metabolites·Matteo StoccheroGiuseppe Giordano
Feb 14, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Dieuwertje AugustijnA Alia
Apr 4, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Nicola CavalliniMarina Cocchi
Jan 21, 2017·Analytical Chemistry·G A Nagana Gowda, Daniel Raftery
Nov 6, 2021·NMR in Biomedicine·Julia DebikGuro F Giskeødegård

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

© 2022 Meta ULC. All rights reserved