NMR-Based Metabolomics: General Aspects and Applications in Cancer Diagnosis
- Authors: Jeferson Santana Ursulino1, Alessandre Carmo Crispim2, Lucas Monteiro Freire3, Elton Rafael Castro Silva Matos4, Jorge Artur Peçanha de Miranda Coelho5, Manoel Alvaro Lins Neto6, Edeildo Ferreira da Silva Júnior7, Thiago Mendonça de Aquino8
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View Affiliations Hide Affiliations1 Nucleus of Analysis and Research in Nuclear Magnetic Resonance, Institute of Chemistry andBiotechnology, Federal University of Alagoas, Brazil 2 Nucleus of Analysis and Research in Nuclear Magnetic Resonance, Institute of Chemistry andBiotechnology, Federal University of Alagoas, Brazil 3 Laboratory of Scientific Computation and Numerical Analysis, Institute of Mathematics, FederalUniversity of Alagoas, Brazil 4 Laboratory of Scientific Computation and Numerical Analysis, Institute of Mathematics, FederalUniversity of Alagoas, Brazil 5 Laboratory of Scientific Computation and Numerical Analysis, Institute of Mathematics, FederalUniversity of Alagoas, Brazil 6 Laboratory of Scientific Computation and Numerical Analysis, Institute of Mathematics, FederalUniversity of Alagoas, Brazil 7 Nucleus of Analysis and Research in Nuclear Magnetic Resonance, Institute of Chemistry andBiotechnology, Federal University of Alagoas, Brazil Medicinal Chemistry Laboratory, Institute of Pharmaceutical Sciences, Federal University ofAlagoas, Brazil 8 Nucleus of Analysis and Research in Nuclear Magnetic Resonance, Institute of Chemistry andBiotechnology, Federal University of Alagoas, Brazil
- Source: Applications of NMR Spectroscopy: Volume 9 , pp 160-203
- Publication Date: December 2021
- Language: English
NMR-Based Metabolomics: General Aspects and Applications in Cancer Diagnosis, Page 1 of 1
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Metabolomics is defined as a matrix of studies on the methodologies and analytical technologies related to data analysis in microorganisms, plants, and animals. In humans, about 50–200 metabolites have been identified, improving our understanding of the metabolome and genomics. A broad range of fields commonly apply metabolomics studies, including those related to the effects of drugs, cellular function, and drug discovery, as well as to the search for biomarkers of diseases. It is possible to divide a well-designed metabolomics study into phases, including ethical approval, sample collection and preparation, sample analysis (Liquid or Gas Chromatography Coupled to Mass Spectrometry - LC-MS/GC-MS, High or Ultrahigh Performance Liquide Chromatography - HPLC/UPLC, or Nuclear Magnetic Resonance - NMR), identification/quantification of metabolites, statistical analysis, and biochemical interpretation. In studies involving biological samples, the use of NMR has increased, in comparison with GC-MS and LC-MS, because NMR presents advantages, including the fact that it is nondestructive to samples, no chromatographic separation is needed, and there is a possibility of determining unknown metabolites. In addition to discussing NMR-based metabolomics studies involving biological samples from humans, in this chapter, we discuss essential aspects in early stages, including sample preparation in phosphate buffer, utilization of internal standards, the importance of water suppression, and the use of 1D and 2D NMR spectroscopies for identification of metabolites.
Thereafter, the most often-used multivariate analysis in chemometrics will also be presented, demonstrating which OPLS-DA method is the best option for group discrimination.Some metabolites identified in human biofluids will be described, especially those associated with pathological conditions or dysregulation in metabolic pathways for different types of cancer. Finally, we present the results of a preliminary NMR-based metabolomics study involving patients with colorectal cancer and healthy volunteers.
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