Results 21 to 30 of about 124,046 (257)

Intra- and inter-metabolite correlation spectroscopy of tomato metabolomics data obtained by liquid chromatography-mass spectrometry and nuclear magnetic resonance [PDF]

, 2008
Nuclear magnetic resonance (NMR) and liquid chromatography-mass spectrometry (LCMS) are frequently used as technological platforms for metabolomics applications.
de Vos, C.H., Moco, S.I.A., Forshed, J., Vos, C.H., de, Bino, R.J., Vervoort, J.J.M.   +5 more
core   +1 more source

Inborn Errors of Metabolism in the Era of Untargeted Metabolomics and Lipidomics [PDF]

, 2019
Inborn errors of metabolism (IEMs) are a group of inherited diseases with variable incidences. IEMs are caused by disrupting enzyme activities in specific metabolic pathways by genetic mutations, either directly or indirectly by cofactor deficiencies ...
Ismail, Israa T, Showalter, Megan R, Oliver Fiehn, Fiehn, Oliver, Israa T Ismail, Megan R Showalter   +5 more
core   +1 more source

GARANTIA DE QUALIDADE EM METABOLÔMICA NÃO-ALVO [PDF]

Química Nova
Over the last two decades, metabolomics has emerged as a pivotal tool in multidisciplinary research, providing invaluable insights into metabolome modulations and finding applications across various scientific domains, including medicine and agronomy ...
Andrew M. Teixeira, Julia Maia Galvão de Queiroz, Bruno C. Garrido, Antônio Jorge R. Silva, Anelize Bauermeister, Ricardo M. Borges   +5 more
doaj   +1 more source

Reference materials for MS-based untargeted metabolomics and lipidomics: a review by the metabolomics quality assurance and quality control consortium (mQACC). [PDF]

, 2021
IntroductionThe metabolomics quality assurance and quality control consortium (mQACC) is enabling the identification, development, prioritization, and promotion of suitable reference materials (RMs) to be used in quality assurance (QA) and quality ...
Sun, Jinchun, Ulmer, Candice Z, Lippa, Katrice A, Tayyari, Fariba, Percy, Andrew J, Wilson, Ian, Raftery, Dan, Harms, Amy C, Beger, Richard D, Clay Davis, W, Ntai, Ioanna, Flores, Roberto, Ubhi, Baljit K, Beecher, Chris, Theodoridis, Georgios, Lewis, Matthew R, Aristizabal-Henao, Juan J, Jones, Christina M, Goodacre, Royston, Bowden, John A, Hartung, Thomas, Dunn, Warwick B, Torta, Federico, Gouveia, Gonçalo J, Broeckling, Corey, Schock, Tracey B   +25 more
core   +1 more source

Mechanistic Insights into the Metabolic Pathways Using High-Resolution Mass Spectrometry and Predictive Models in Pancreatic β-Cell Lines (β-TC-6)

Biology and Life Sciences Forum, 2023
Objectives: We have previously shown that inhibition of the mTORC1 nutrient-sensing complex by rapamycin and mTORC1/mTORC2 inhibition by either Torin-2 or RapaLink-1 have differential effects on the global untargeted metabolomics in in vivo and in vitro ...
Ghada A. Soliman, Ye He, Rinat Abzalimov
doaj   +1 more source

Towards Predicting Gut Microbial Metabolism: Integration of Flux Balance Analysis and Untargeted Metabolomics

, 2020
Genomics-based metabolic models of microorganisms currently have no easy way of corroborating predicted biomass with the actual metabolites being produced.
Robert A. Edwards, Daniel Cuevas, Ellen Kuang, Matthew Marney, Erica M. Forsberg   +4 more
core   +1 more source

Generic Software Frameworks for GC-MS Based Metabolomics [PDF]

, 2012
Hoffmann N, Stoye J. Generic Software Frameworks for GC-MS Based Metabolomics. In: Roessner U, ed. Metabolomics.
Jens Stoye, Stoye, Jens ; https://orcid.org/, Hoffmann, Nils ; https://orcid.org/, Roessner, Ute, Nils Hoffmann   +4 more
core   +1 more source

Improved Annotation of Untargeted Metabolomics Data Through Buffer Modifications That Shift Adduct Mass and Intensity [PDF]

, 2020
Annotation of untargeted high-resolution full-scan LC-MS metabolomics data remains challenging due to individual metabolites generating multiple LC-MS peaks arising from isotopes, adducts and fragments. Adduct annotation is a particular challenge, as the
Li, Chen, Lin, Wang, Melanie, McReynolds, Xi, Xing, Joshua D, Rabinowitz, Sisi, Zhang, Wenyun, Lu   +6 more
core   +1 more source

TidyMass an object-oriented reproducible analysis framework for LC–MS data

Nature Communications, 2022
Reproducibility, traceability, and transparency have been long-standing issues in metabolomics data analysis. Here, the authors present tidyMass, an R-based computational framework that allows designing traceable, shareable, and reproducible data ...
Xiaotao Shen, Hong Yan, Chuchu Wang, Peng Gao, Caroline H. Johnson, Michael P. Snyder   +5 more
doaj   +1 more source

Open access repository-scale propagated nearest neighbor suspect spectral library for untargeted metabolomics

Nature Communications, 2023
Despite the increasing availability of tandem mass spectrometry (MS/MS) community spectral libraries for untargeted metabolomics over the past decade, the majority of acquired MS/MS spectra remain uninterpreted. To further aid in interpreting unannotated
Wout Bittremieux, Nicole E. Avalon, Sydney P. Thomas, Sarvar A. Kakhkhorov, Alexander A. Aksenov, Paulo Wender P. Gomes, Christine M. Aceves, Andrés Mauricio Caraballo-Rodríguez, Julia M. Gauglitz, William H. Gerwick, Tao Huan, Alan K. Jarmusch, Rima F. Kaddurah-Daouk, Kyo Bin Kang, Hyun Woo Kim, Todor Kondić, Helena Mannochio-Russo, Michael J. Meehan, Alexey V. Melnik, Louis-Felix Nothias, Claire O’Donovan, Morgan Panitchpakdi, Daniel Petras, Robin Schmid, Emma L. Schymanski, Justin J. J. van der Hooft, Kelly C. Weldon, Heejung Yang, Shipei Xing, Jasmine Zemlin, Mingxun Wang, Pieter C. Dorrestein   +31 more
doaj   +1 more source