Enhancing confidence of metabolite annotation in Capillary Electrophoresis-Mass Spectrometry untargeted metabolomics with relative migration time and in-source fragmentation

Mamani-Huanca, Maricruz; Gil-de-la-Fuente, Alberto; Otero, Abraham; Gradillas, Ana; Godzień, Joanna; Barbas, Coral; López‐Gonzálvez, Ángeles

doi:10.1016/j.chroma.2020.461758

Cited by 29 publications

(22 citation statements)

References 26 publications

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“…The selected features in the statistical step by UVDA or MVDA were tentatively identified based on the m/z of the metabolites and the relative mobility time (RMT) (MT metabolite /MT MetS ) by using the CE-MS Search in the CEU Mass Mediator (http://ceumass.eps.uspceu.es/ mediator), 28 which is an "in-house" useful tool for identification. This tool joins several databases that are available online, such as METLIN, 29 LIPIDMAPS, 30 and KEGG, 31 making the identification task faster and easier.…”

Section: Metabolite Identificationmentioning

confidence: 99%

Metabolic Snapshot of Plasma Samples Reveals New Pathways Implicated in SARS-CoV-2 Pathogenesis

et al. 2022

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Despite the scientific and human efforts to understand COVID-19, there are questions still unanswered. Variations in the metabolic reaction to SARS-CoV-2 infection could explain the striking differences in the susceptibility to infection and the risk of severe disease. Here, we used untargeted metabolomics to examine novel metabolic pathways related to SARS-CoV-2 susceptibility and COVID-19 clinical severity using capillary electrophoresis coupled to a time-of-flight mass spectrometer (CE-TOF-MS) in plasma samples. We included 27 patients with confirmed COVID-19 and 29 healthcare workers heavily exposed to SARS-CoV-2 but with low susceptibility to infection ("nonsusceptible"). We found a total of 42 metabolites of SARS-CoV-2 susceptibility or COVID-19 clinical severity. We report the discovery of new plasma biomarkers for COVID-19 that provide mechanistic explanations for the clinical consequences of SARS-CoV-2, including mitochondrial and liver dysfunction as a consequence of hypoxemia (citrulline, citric acid, and 3-aminoisobutyric acid (BAIBA)), energy production and amino acid catabolism (phenylalanine and histidine), and endothelial dysfunction and thrombosis (citrulline, asymmetric dimethylarginine (ADMA), and 2-aminobutyric acid (2-AB)), and we found interconnections between these pathways. In summary, in this first report several metabolic pathways implicated in SARS-CoV-2 susceptibility and COVID-19 clinical progression were found by CE-MS based metabolomics that could be developed as biomarkers of COVID-19.

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Section: Metabolite Identificationmentioning

confidence: 99%

Metabolic Snapshot of Plasma Samples Reveals New Pathways Implicated in SARS-CoV-2 Pathogenesis

et al. 2022

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“…Consequently, pairs of groups were compared, and those with a p < 0.05 were considered significant metabolites using the Mann-Whitney U test. These features were annotated by monosotopic mass and relative migration time (RMT) using an in-house library available at CEU-MassMediator (CE-MS search), an online open-source tool developed in our laboratory (http://ceumass.eps.uspceu.es/index_cesearch.xhtml) (May 2021) [41]. Fifty-three metabolites were found to be statistically significant, revealing the modulation of infection.…”

Section: Statistical Analyses Of the Metabolic Profile Of Leishmania Infected C57bl/6-macrophagesmentioning

confidence: 99%

Metabolomic Reprogramming of C57BL/6-Macrophages during Early Infection with L. amazonensis

Mamani-Huanca

Muxel

Acuña

et al. 2021

IJMS

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Leishmania survival inside macrophages depends on factors that lead to the immune response evasion during the infection. In this context, the metabolic scenario of the host cell–parasite relationship can be crucial to understanding how this parasite can survive inside host cells due to the host’s metabolic pathways reprogramming. In this work, we aimed to analyze metabolic networks of bone marrow-derived macrophages from C57BL/6 mice infected with Leishmania amazonensis wild type (La-WT) or arginase knocked out (La-arg−), using the untargeted Capillary Electrophoresis-Mass Spectrometry (CE-MS) approach to assess metabolomic profile. Macrophages showed specific changes in metabolite abundance upon Leishmania infection, as well as in the absence of parasite-arginase. The absence of L. amazonensis-arginase promoted the regulation of both host and parasite urea cycle, glycine and serine metabolism, ammonia recycling, metabolism of arginine, proline, aspartate, glutamate, spermidine, spermine, methylhistidine, and glutathione metabolism. The increased L-arginine, L-citrulline, L-glutamine, oxidized glutathione, S-adenosylmethionine, N-acetylspermidine, trypanothione disulfide, and trypanothione levels were observed in La-WT-infected C57BL/6-macrophage compared to uninfected. The absence of parasite arginase increased L-arginine, argininic acid, and citrulline levels and reduced ornithine, putrescine, S-adenosylmethionine, glutamic acid, proline, N-glutamyl-alanine, glutamyl-arginine, trypanothione disulfide, and trypanothione when compared to La-WT infected macrophage. Moreover, the absence of parasite arginase leads to an increase in NO production levels and a higher infectivity rate at 4 h of infection. The data presented here show a host-dependent regulation of metabolomic profiles of C57BL/6 macrophages compared to the previously observed BALB/c macrophages infected with L. amazonensis, an important fact due to the dual and contrasting macrophage phenotypes of those mice. In addition, the Leishmania-arginase showed interference with the urea cycle, glycine, and glutathione metabolism during host–pathogen interactions.

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“…In the above metabolomic study [39], the database of free-solution mobilities for 276 metabolites, including peptides, was created by CE-MS using 5% v/v formic acid (FA) as BGE in the mixed hydro-organic solvent (95/5 v/v water/methanol (MeOH)). This dataset is useful for the identification of peptides and other metabolites in the peptidomic and metabolomic studies [43,44].…”

Section: Electromigration Properties Of Peptides and Selection Of Sep...mentioning

confidence: 99%

Recent developments in capillary and microchip electroseparations of peptides (2019–mid 2021)

Kašička

2021

Electrophoresis

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The review provides a comprehensive overview of developments and applications of high performance capillary and microchip electroseparation methods (zone electrophoresis, isotachophoresis, isoelectric focusing, affinity electrophoresis, electrokinetic chromatography, and electrochromatography) for analysis, microscale isolation, and physicochemical characterization of peptides from 2019 up to approximately the middle of 2021. Advances in the investigation of electromigration properties of peptides and in the methodology of their analysis, such as sample preparation, sorption suppression, EOF control, and detection, are presented. New developments in the individual CE and CEC methods are demonstrated and several types of their applications are shown. They include qualitative and quantitative analysis, determination in complex biomatrices, monitoring of chemical and enzymatic reactions and physicochemical changes, amino acid, sequence, and chiral analyses, and peptide mapping of proteins. In addition, micropreparative separations and determination of significant physicochemical parameters of peptides by CE and CEC methods are described.

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Enhancing confidence of metabolite annotation in Capillary Electrophoresis-Mass Spectrometry untargeted metabolomics with relative migration time and in-source fragmentation

Cited by 29 publications

References 26 publications

Metabolic Snapshot of Plasma Samples Reveals New Pathways Implicated in SARS-CoV-2 Pathogenesis

Metabolic Snapshot of Plasma Samples Reveals New Pathways Implicated in SARS-CoV-2 Pathogenesis

Metabolomic Reprogramming of C57BL/6-Macrophages during Early Infection with L. amazonensis

Recent developments in capillary and microchip electroseparations of peptides (2019–mid 2021)

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