Articles producció científica> Enginyeria Electrònica, Elèctrica i Automàtica

Exploring the Use of Gas Chromatography Coupled to Chemical Ionization Mass Spectrometry (GC-CI-MS) for Stable Isotope Labeling in Metabolomics

  • Datos identificativos

    Identificador: imarina:9139071
    Autores:
    Capellades, JordiJunza, AlexandraSamino, SaraBrunner, Julia SSchabbauer, GernotVinaixa, MariaYanes, Oscar
    Resumen:
    © Isotopic-labeling experiments have been valuable to monitor the flux of metabolic reactions in biological systems, which is crucial to understand homeostatic alterations with disease. Experimental determination of metabolic fluxes can be inferred from a characteristic rearrangement of stable isotope tracers (e.g., 13C or 15N) that can be detected by mass spectrometry (MS). Metabolites measured are generally members of well-known metabolic pathways, and most of them can be detected using both gas chromatography (GC)-MS and liquid chromatography (LC)-MS. In here, we show that GC methods coupled to chemical ionization (CI) MS have a clear advantage over alternative methodologies due to GC's superior chromatography separation efficiency and the fact that CI is a soft ionization technique that yields identifiable protonated molecular ion peaks. We tested diverse GC-CI-MS setups, including methane and isobutane reagent gases, triple quadrupole (QqQ) MS in SIM mode, or selected ion clusters using optimized narrow windows (∼10 Da) in scan mode, and standard full scan methods using high resolution GC-(q)TOF and GC-Orbitrap systems. Isobutane as a reagent gas in combination with both low-resolution (LR) and high-resolution (HR) MS showed the best performance, enabling precise detection of isotopologues in most metabolic intermediates of central carbon metabolism. Finally, with the aim of overcoming manual operations, we developed an R-based tool called isoSCAN that automatically quantifies all isotopologues of intermediate metabolites of glycolysis, TCA cycle, amino acids, pentose phosphate pathway, and urea cycle, from LRMS and HRMS data.
  • Otros:

    Autor según el artículo: Capellades, Jordi; Junza, Alexandra; Samino, Sara; Brunner, Julia S; Schabbauer, Gernot; Vinaixa, Maria; Yanes, Oscar
    Departamento: Enginyeria Electrònica, Elèctrica i Automàtica
    e-ISSN: 1520-6882
    Autor/es de la URV: De la Varga Pastor, Aitana / Junza Martínez, Alexandra / SAMINO GENÉ, SARA / Vinaixa Crevillent, Maria / Yanes Torrado, Óscar
    Palabras clave: Clean water and sanitation
    Resumen: © Isotopic-labeling experiments have been valuable to monitor the flux of metabolic reactions in biological systems, which is crucial to understand homeostatic alterations with disease. Experimental determination of metabolic fluxes can be inferred from a characteristic rearrangement of stable isotope tracers (e.g., 13C or 15N) that can be detected by mass spectrometry (MS). Metabolites measured are generally members of well-known metabolic pathways, and most of them can be detected using both gas chromatography (GC)-MS and liquid chromatography (LC)-MS. In here, we show that GC methods coupled to chemical ionization (CI) MS have a clear advantage over alternative methodologies due to GC's superior chromatography separation efficiency and the fact that CI is a soft ionization technique that yields identifiable protonated molecular ion peaks. We tested diverse GC-CI-MS setups, including methane and isobutane reagent gases, triple quadrupole (QqQ) MS in SIM mode, or selected ion clusters using optimized narrow windows (∼10 Da) in scan mode, and standard full scan methods using high resolution GC-(q)TOF and GC-Orbitrap systems. Isobutane as a reagent gas in combination with both low-resolution (LR) and high-resolution (HR) MS showed the best performance, enabling precise detection of isotopologues in most metabolic intermediates of central carbon metabolism. Finally, with the aim of overcoming manual operations, we developed an R-based tool called isoSCAN that automatically quantifies all isotopologues of intermediate metabolites of glycolysis, TCA cycle, amino acids, pentose phosphate pathway, and urea cycle, from LRMS and HRMS data.
    Áreas temáticas: Química Medicina ii Medicina i Materiais Interdisciplinar Geociências General medicine Farmacia Ensino Engenharias iv Engenharias iii Engenharias ii Enfermagem Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência de alimentos Ciência da computação Chemistry, analytical Biotecnología Biodiversidade Astronomia / física Analytical chemistry
    Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 0003-2700
    Direcció de correo del autor: maria.vinaixa@urv.cat oscar.yanes@urv.cat alexandra.junza@urv.cat maria.vinaixa@urv.cat aitana.delavarga@urv.cat
    Identificador del autor: 0000-0001-9804-0171 0000-0003-3695-7157 0000-0001-7205-0419 0000-0001-9804-0171 0000-0002-3124-4409
    Fecha de alta del registro: 2024-11-23
    Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
    Enlace a la fuente original: https://pubs.acs.org/doi/10.1021/acs.analchem.0c02998
    URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referencia al articulo segun fuente origial: Analytical Chemistry. 93 (3): 1242-1248
    Referencia de l'ítem segons les normes APA: Capellades, Jordi; Junza, Alexandra; Samino, Sara; Brunner, Julia S; Schabbauer, Gernot; Vinaixa, Maria; Yanes, Oscar (2021). Exploring the Use of Gas Chromatography Coupled to Chemical Ionization Mass Spectrometry (GC-CI-MS) for Stable Isotope Labeling in Metabolomics. Analytical Chemistry, 93(3), 1242-1248. DOI: 10.1021/acs.analchem.0c02998
    DOI del artículo: 10.1021/acs.analchem.0c02998
    Entidad: Universitat Rovira i Virgili
    Año de publicación de la revista: 2021
    Tipo de publicación: Journal Publications
  • Palabras clave:

    Analytical Chemistry,Chemistry, Analytical
    Clean water and sanitation
    Química
    Medicina ii
    Medicina i
    Materiais
    Interdisciplinar
    Geociências
    General medicine
    Farmacia
    Ensino
    Engenharias iv
    Engenharias iii
    Engenharias ii
    Enfermagem
    Ciências biológicas iii
    Ciências biológicas ii
    Ciências biológicas i
    Ciências ambientais
    Ciências agrárias i
    Ciência de alimentos
    Ciência da computação
    Chemistry, analytical
    Biotecnología
    Biodiversidade
    Astronomia / física
    Analytical chemistry
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