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XCMS: processing mass spectrometry data for metabolite profiling using nonlinear peak alignment, matching, and identification.
- Colin A. Smith, E. Want, Grace O'Maille, R. Abagyan, G. Siuzdak
- BiologyAnalytical chemistry
- 7 January 2006
An LC/MS-based data analysis approach, XCMS, which incorporates novel nonlinear retention time alignment, matched filtration, peak detection, and peak matching, and is demonstrated using data sets from a previously reported enzyme knockout study and a large-scale study of plasma samples.
METLIN: A Metabolite Mass Spectral Database
- Colin A. Smith, Grace O' Maille, G. Siuzdak
- Chemistry, BiologyTherapeutic drug monitoring
- 1 December 2005
METLIN includes an annotated list of known metabolite structural information that is easily cross-correlated with its catalogue of high-resolution Fourier transform mass spectrometry (FTMS) spectra, tandem mass spectrumetry (MS/MS) Spectra, and LC/MS data.
Metabolomics analysis reveals large effects of gut microflora on mammalian blood metabolites
- W. R. Wikoff, A. Anfora, G. Siuzdak
- Biology, ChemistryProceedings of the National Academy of Sciences
- 10 March 2009
A broad, drug-like phase II metabolic response of the host to metabolites generated by the microbiome was observed, suggesting that the gut microflora has a direct impact on the drug metabolism capacity of theHost.
Generation of induced pluripotent stem cells using recombinant proteins.
XCMS Online: a web-based platform to process untargeted metabolomic data.
XCMS Online provides a solution for the complete untargeted metabolomic workflow including feature detection, retention time correction, alignment, annotation, statistical analysis, and data visualization.
Reliability of Spike Timing in Neocortical Neurons
Rat Schwann cells were prepared from DRG cultures as described, with minor modifications, and Steroids (pregnenolone, progesterone, and corticosterone) in sciatic nerve and plasma were measured by RIA.
Innovation: Metabolomics: the apogee of the omics trilogy
By performing global metabolite profiling, also known as untargeted metabolomics, new discoveries linking cellular pathways to biological mechanism are being revealed and are shaping the understanding of cell biology, physiology and medicine.
An accelerated workflow for untargeted metabolomics using the METLIN database
- Ralf Tautenhahn, Kevin Cho, Winnie Uritboonthai, Zhengjiang Zhu, G. Patti, G. Siuzdak
- BiologyNature Biotechnology
- 10 September 2012
Although relatively new compared to its genomic and proteomic predecessors, metabolomics has led to the discovery of biomarkers for disease, fundamental insights into cellular biochemistry, and clues related to disease pathogenesis.
Metabolomics: beyond biomarkers and towards mechanisms
- Caroline H. Johnson, J. Ivanisevic, G. Siuzdak
- Biology, EngineeringNature Reviews Molecular Cell Biology
- 1 July 2016
Because of the inherent sensitivity of metabolomics, subtle alterations in biological pathways can be detected to provide insight into the mechanisms that underlie various physiological conditions and aberrant processes, including diseases.
Desorption–ionization mass spectrometry on porous silicon
A matrix-free strategy forbiomolecular mass spectrometry based on pulsed-laser desorption–ionization from a porous silicon surface that offers good sensitivity as well as compatibility with silicon-based microfluidics and microchip technologies.