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  1. Artikel ; Online: Impact of Source Conditions on Collision Cross Section Determination by Trapped Ion Mobility Spectrometry.

    George, Anaïs C / Schmitz, Isabelle / Colsch, Benoit / Afonso, Carlos / Fenaille, François / Loutelier-Bourhis, Corinne

    Journal of the American Society for Mass Spectrometry

    2024  Band 35, Heft 4, Seite(n) 696–704

    Abstract: Collision cross section (CCS) values determined in ion mobility-mass spectrometry (IM-MS) are increasingly employed as additional descriptors in metabolomics studies. CCS values must therefore be reproducible and the causes of deviations must be ... ...

    Abstract Collision cross section (CCS) values determined in ion mobility-mass spectrometry (IM-MS) are increasingly employed as additional descriptors in metabolomics studies. CCS values must therefore be reproducible and the causes of deviations must be carefully known and controlled. Here, we analyzed lipid standards by trapped ion mobility spectrometry-mass spectrometry (TIMS-MS) to evaluate the effects of solvent and flow rate in flow injection analysis (FIA), as well as electrospray source parameters including nebulizer gas pressure, drying gas flow rate, and temperature, on the ion mobility and CCS values. The stability of ion mobility experiments was studied over 10 h, which established the need for a delay-time of 20 min to stabilize source parameters (mostly pressure and temperature). Modifications of electrospray source parameters induced shifts of ion mobility peaks and even the occurrence of an additional peak in the ion mobility spectra. This behavior could be essentially explained by ion-solvent cluster formation. Changes in source parameters were also found to impact CCS value measurements, resulting in deviations up to 0.8%. However, internal calibration with the Tune Mix calibrant reduced the CCS deviations to 0.1%. Thus, optimization of source parameters is essential to achieve a good desolvation of lipid ions and avoid misinterpretation of peaks in ion mobility spectra due to solvent effects. This work highlights the importance of internal calibration to ensure interoperable CCS values, usable in metabolomics annotation.
    Sprache Englisch
    Erscheinungsdatum 2024-03-02
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ZDB-ID 1073671-2
    ISSN 1879-1123 ; 1044-0305
    ISSN (online) 1879-1123
    ISSN 1044-0305
    DOI 10.1021/jasms.3c00361
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  2. Artikel ; Online: Interplatform comparison between three ion mobility techniques for human plasma lipid collision cross sections.

    George, Anaïs C / Schmitz, Isabelle / Rouvière, Florent / Alves, Sandra / Colsch, Benoit / Heinisch, Sabine / Afonso, Carlos / Fenaille, François / Loutelier-Bourhis, Corinne

    Analytica chimica acta

    2024  Band 1304, Seite(n) 342535

    Abstract: The implementation of ion mobility spectrometry (IMS) in liquid chromatography-high-resolution mass spectrometry (LC-HRMS) workflows has become a valuable tool for improving compound annotation in metabolomics analyses by increasing peak capacity and by ... ...

    Abstract The implementation of ion mobility spectrometry (IMS) in liquid chromatography-high-resolution mass spectrometry (LC-HRMS) workflows has become a valuable tool for improving compound annotation in metabolomics analyses by increasing peak capacity and by adding a new molecular descriptor, the collision cross section (CCS). Although some studies reported high repeatability and reproducibility of CCS determination and only few studies reported good interplatform agreement for small molecules, standardized protocols are still missing due to the lack of reference CCS values and reference materials. We present a comparison of CCS values of approximatively one hundred lipid species either commercially available or extracted from human plasma. We used three different commercial ion mobility technologies from different laboratories, drift tube IMS (DTIMS), travelling wave IMS (TWIMS) and trapped IMS (TIMS), to evaluate both instrument repeatability and interlaboratory reproducibility. We showed that CCS discrepancies of 0.3% (average) could occur depending on the data processing software tools. Moreover, eleven CCS calibrants were evaluated yielding mean RSD below 2% for eight calibrants, ESI Low concentration tuning mix (Tune Mix) showing the lowest RSD (< 0.5%) in both ion modes. Tune Mix calibrated CCS from the three different IMS instruments proved to be well correlated and highly reproducible (R
    Mesh-Begriff(e) Humans ; Reproducibility of Results ; Metabolomics ; Lipids
    Chemische Substanzen Lipids
    Sprache Englisch
    Erscheinungsdatum 2024-03-26
    Erscheinungsland Netherlands
    Dokumenttyp Journal Article
    ZDB-ID 1483436-4
    ISSN 1873-4324 ; 0003-2670
    ISSN (online) 1873-4324
    ISSN 0003-2670
    DOI 10.1016/j.aca.2024.342535
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  3. Artikel ; Online: Multicentric investigations of the role in the disease severity of accelerated phospholipid changes in COVID-19 patient airway.

    Mitri, Christie / Philippart, François / Sacco, Emmanuelle / Legriel, Stéphane / Rousselet, Nathalie / Dupuis, Gabrielle / Colsch, Benoît / Corvol, Harriet / Touqui, Lhousseine / Tabary, Olivier

    Microbes and infection

    2024  , Seite(n) 105354

    Abstract: Context: The changes in host membrane phospholipids are crucial in airway infection pathogenesis. Phospholipase A2 hydrolyzes host cell membranes, producing lyso-phospholipids and free fatty acids, including arachidonic acid (AA), which contributes ... ...

    Abstract Context: The changes in host membrane phospholipids are crucial in airway infection pathogenesis. Phospholipase A2 hydrolyzes host cell membranes, producing lyso-phospholipids and free fatty acids, including arachidonic acid (AA), which contributes significantly to lung inflammation.
    Aim: Follow these changes and their evolution from day 1, day 3 to day 7 in airway aspirates of 89 patients with COVID-19-associated acute respiratory distress syndrome and examine whether they correlate with the severity of the disease. The patients were recruited in three French intensive care units. The analysis was conducted from admission to the intensive care unit until the end of the first week of mechanical ventilation.
    Results: In the airway aspirates, we found significant increases in the levels of host cell phospholipids, including phosphatidyl-serine and phosphatidyl-ethanolamine, and their corresponding lyso-phospholipids. This was accompanied by increased levels of AA and its inflammatory metabolite prostaglandin E2 (PGE2). Additionally, enhanced levels of ceramides, sphingomyelin, and free cholesterol were observed in these aspirates. These lipids are known to be involved in cell death and/or apoptosis, whereas free cholesterol plays a role in virus entry and replication in host cells. However, there were no significant changes in the levels of dipalmitoyl-phosphatidylcholine, the major surfactant phospholipid. A correlation analysis revealed an association between mortality risk and levels of AA and PGE2, as well as host cell phospholipids.
    Conclusion: Our findings indicate a correlation between heightened cellular phospholipid modifications and variations in AA and PGE2 with the severity of the disease in patients. Nevertheless, there is no indication of surfactant alteration in the initial phases of the illness.
    Sprache Englisch
    Erscheinungsdatum 2024-05-15
    Erscheinungsland France
    Dokumenttyp Journal Article
    ZDB-ID 1465093-9
    ISSN 1769-714X ; 1286-4579
    ISSN (online) 1769-714X
    ISSN 1286-4579
    DOI 10.1016/j.micinf.2024.105354
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  4. Artikel ; Online: A re-calibration procedure for interoperable lipid collision cross section values measured by traveling wave ion mobility spectrometry.

    George, Anaïs C / Schmitz-Afonso, Isabelle / Marie, Vincent / Colsch, Benoit / Fenaille, François / Afonso, Carlos / Loutelier-Bourhis, Corinne

    Analytica chimica acta

    2022  Band 1226, Seite(n) 340236

    Abstract: Collision cross sections (CCS) have been described as relevant molecular descriptors in metabolomics and lipidomics analyses for ascertaining compound identity. Ion mobility spectrometry (IMS) allows to determine CCS with different techniques, such as ... ...

    Abstract Collision cross sections (CCS) have been described as relevant molecular descriptors in metabolomics and lipidomics analyses for ascertaining compound identity. Ion mobility spectrometry (IMS) allows to determine CCS with different techniques, such as drift tube ion mobility spectrometry (DTIMS), traveling wave ion mobility spectrometry (TWIMS) or trapped ion mobility spectrometry (TIMS). In contrast with DTIMS where CCS can be obtained directly with measured drift times and mathematical relationship, TWIMS and TIMS techniques require an additional step of calibration to obtain CCS values. However, literature reports significantly disparate CCS values depending on the calibrant used (often more than 10%), as no consensus has been reached to define a universal CCS reference standard or harmonized calibration procedure. Therefore, publicly available CCS databases cannot be regarded as readily interoperable and exchangeable. Here, we performed a comprehensive evaluation of 11 distinct CCS calibrants in a traveling wave ion mobility spectrometry-mass spectrometry (TWIMS-MS) instrument. We showed that, using lipids from plasma as model compounds, CCS determination drastically fluctuates from one calibrant to the other with up to 25% differences, which precludes direct CCS comparison. Using the large panel of calibration curves generated, we showed that any CCS value can be efficiently re-calibrated relatively to the calibration curve made with the widely used Tune Mix solution whatever the calibration procedure originally used. The re-calibrated CCS values for each calibrant constitute a database which allows to correct any deviation on lipid CCS values whatever the calibrant originally used. Resulting corrected CCS values from plasma lipids were thus efficiently matched to those previously reported in the literature (with deviations<2%). Therefore, this work shows that unique and comparable CCS values can be obtained upon re-calibration relatively to Tune Mix CCS values, while also paving the way for the establishment of a universal CCS database of various metabolite or lipid classes.
    Mesh-Begriff(e) Calibration ; Ion Mobility Spectrometry/methods ; Lipids ; Mass Spectrometry/methods ; Metabolomics
    Chemische Substanzen Lipids
    Sprache Englisch
    Erscheinungsdatum 2022-08-15
    Erscheinungsland Netherlands
    Dokumenttyp Journal Article
    ZDB-ID 1483436-4
    ISSN 1873-4324 ; 0003-2670
    ISSN (online) 1873-4324
    ISSN 0003-2670
    DOI 10.1016/j.aca.2022.340236
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  5. Artikel: Metabolomics in the understanding and management of hepatic encephalopathy

    Pelle, Juliette / Castelli, Florence A. / Rudler, Marika / Alioua, Imen / Colsch, Benoit / Fenaille, François / Junot, Christophe / Thabut, Dominique / Weiss, Nicolas

    Analytical biochemistry. 2022 Jan. 01, v. 636

    2022  

    Abstract: Metabolomics refers to the study of biological components below 1000 Daltons (Da) involved in metabolic pathways as substrates, products or effectors. According to the interconnected metabolic disturbances that have been described in the pathophysiology ... ...

    Abstract Metabolomics refers to the study of biological components below 1000 Daltons (Da) involved in metabolic pathways as substrates, products or effectors. According to the interconnected metabolic disturbances that have been described in the pathophysiology of hepatic encephalopathy (HE), this technique appears to be well adapted to study and better delineate the disease. This review will focus on recent advances in metabolomics in the field of HE. Thus, after a brief overview of the general principles of metabolomics, we will discuss metabolomics as a potentially efficient tool for unraveling new HE pathophysiological insights, biomarkers identification, or as a predicting tool for treatment response or outcome prognosis. Finally, we will give our vision on the prospects offered by metabolomics for improving care of HE patients.
    Schlagwörter biomarkers ; encephalopathy ; metabolomics ; pathophysiology ; prognosis
    Sprache Englisch
    Erscheinungsverlauf 2022-0101
    Erscheinungsort Elsevier Inc.
    Dokumenttyp Artikel
    ZDB-ID 1110-1
    ISSN 1096-0309 ; 0003-2697
    ISSN (online) 1096-0309
    ISSN 0003-2697
    DOI 10.1016/j.ab.2021.114477
    Datenquelle NAL Katalog (AGRICOLA)

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    Verfügbar in ZB MED Bonn

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  6. Artikel ; Online: Correlative radioimaging and mass spectrometry imaging: a powerful combination to study

    Cazier, Hélène / Malgorn, Carole / Georgin, Dominique / Fresneau, Nathalie / Beau, Fabrice / Kostarelos, Kostas / Bussy, Cyrill / Campidelli, Stéphane / Pinault, Mathieu / Mayne-L'Hermite, Martine / Taran, Frédéric / Junot, Christophe / Fenaille, François / Sallustrau, Antoine / Colsch, Benoit

    Nanoscale

    2023  Band 15, Heft 11, Seite(n) 5510–5518

    Abstract: Research on graphene based nanomaterials has flourished in the last decade due their unique properties and emerging socio-economic impact. In the context of their potential exploitation for biomedical applications, there is a growing need for the ... ...

    Abstract Research on graphene based nanomaterials has flourished in the last decade due their unique properties and emerging socio-economic impact. In the context of their potential exploitation for biomedical applications, there is a growing need for the development of more efficient imaging techniques to track the fate of these materials. Herein we propose the first correlative imaging approach based on the combination of radioimaging and mass spectrometry imaging for the detection of Graphene Oxide (GO) labelled with carbon-14 in mice. In this study,
    Mesh-Begriff(e) Animals ; Mice ; Graphite/chemistry ; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization/methods ; Tissue Distribution ; Nanotubes, Carbon ; Carbon Radioisotopes
    Chemische Substanzen graphene oxide ; Graphite (7782-42-5) ; Nanotubes, Carbon ; Carbon Radioisotopes
    Sprache Englisch
    Erscheinungsdatum 2023-03-16
    Erscheinungsland England
    Dokumenttyp Journal Article
    ZDB-ID 2515664-0
    ISSN 2040-3372 ; 2040-3364
    ISSN (online) 2040-3372
    ISSN 2040-3364
    DOI 10.1039/d2nr06753f
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  7. Artikel ; Online: Metabolomic profiling of cardiac allografts after controlled circulatory death.

    Hautbergue, Thaïs / Laverdure, Florent / Van, Simon Dang / Vallee, Aurelien / Sanchis-Borja, Mateo / Decante, Benoît / Gaillard, Maïra / Junot, Christophe / Fenaille, François / Mercier, Olaf / Colsch, Benoit / Guihaire, Julien

    The Journal of heart and lung transplantation : the official publication of the International Society for Heart Transplantation

    2023  Band 42, Heft 7, Seite(n) 870–879

    Abstract: Background: Assessment of myocardial viability during ex situ heart perfusion (ESHP) is based on the measurement of lactate concentrations. As this provides with limited information, we sought to investigate the metabolic signature associated with ... ...

    Abstract Background: Assessment of myocardial viability during ex situ heart perfusion (ESHP) is based on the measurement of lactate concentrations. As this provides with limited information, we sought to investigate the metabolic signature associated with donation after circulatory death (DCD) and the impact of ESHP on the myocardial metabolome.
    Methods: Porcine hearts were retrieved either after warm ischemia (DCD group, N = 6); after brain-stem death (BSD group, N = 6); or without DCD nor BSD (Control group, N = 6). Hearts were perfused using normothermic oxygenated blood for 240 minutes. Plasma and myocardial samples were collected respectively every 30 and 60 minutes, and analyzed by an untargeted metabolomic approach using liquid chromatography coupled to high-resolution mass spectrometry.
    Results: Median duration of warm ischemia was 23 minutes [19-29] in DCD animals. Lactate level within myocardial biopsies was not significantly different between groups at T0 (p = 0.281), and remained stable over the 4-hour period of ESHP. More than 300 metabolites were detected in plasma and heart biopsy samples. Compared to BSD animals, metabolomics changes involving energy and nucleotide metabolisms were observed in plasma samples of DCD animals before initiation of ESHP, whereas 2 metabolites (inosine monophosphate and methylbutyrate) exhibited concentration changes in biopsy samples. Normalization of DCD metabolic profile was remarkable after 4 hours of ESHP.
    Conclusion: A specific metabolic profile was observed in DCD hearts, mainly characterized by an increased nucleotide catabolism. DCD and BSD metabolomes proved normalized during ESHP. Complementary investigations are needed to correlate these findings to cardiac performances.
    Mesh-Begriff(e) Swine ; Animals ; Heart Transplantation/methods ; Perfusion/methods ; Metabolomics ; Lactates ; Nucleotides ; Allografts ; Tissue Donors ; Death ; Organ Preservation/methods
    Chemische Substanzen Lactates ; Nucleotides
    Sprache Englisch
    Erscheinungsdatum 2023-02-23
    Erscheinungsland United States
    Dokumenttyp Journal Article
    ZDB-ID 1062522-7
    ISSN 1557-3117 ; 1053-2498
    ISSN (online) 1557-3117
    ISSN 1053-2498
    DOI 10.1016/j.healun.2023.02.1492
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  8. Artikel ; Online: Metabolomics in the understanding and management of hepatic encephalopathy.

    Pelle, Juliette / Castelli, Florence A / Rudler, Marika / Alioua, Imen / Colsch, Benoit / Fenaille, François / Junot, Christophe / Thabut, Dominique / Weiss, Nicolas

    Analytical biochemistry

    2021  Band 636, Seite(n) 114477

    Abstract: Metabolomics refers to the study of biological components below 1000 Daltons (Da) involved in metabolic pathways as substrates, products or effectors. According to the interconnected metabolic disturbances that have been described in the pathophysiology ... ...

    Abstract Metabolomics refers to the study of biological components below 1000 Daltons (Da) involved in metabolic pathways as substrates, products or effectors. According to the interconnected metabolic disturbances that have been described in the pathophysiology of hepatic encephalopathy (HE), this technique appears to be well adapted to study and better delineate the disease. This review will focus on recent advances in metabolomics in the field of HE. Thus, after a brief overview of the general principles of metabolomics, we will discuss metabolomics as a potentially efficient tool for unraveling new HE pathophysiological insights, biomarkers identification, or as a predicting tool for treatment response or outcome prognosis. Finally, we will give our vision on the prospects offered by metabolomics for improving care of HE patients.
    Mesh-Begriff(e) Biomarkers/metabolism ; Hepatic Encephalopathy/metabolism ; Hepatic Encephalopathy/therapy ; Humans ; Metabolic Networks and Pathways ; Metabolomics ; Prognosis
    Chemische Substanzen Biomarkers
    Sprache Englisch
    Erscheinungsdatum 2021-11-19
    Erscheinungsland United States
    Dokumenttyp Journal Article ; Research Support, Non-U.S. Gov't ; Review
    ZDB-ID 1110-1
    ISSN 1096-0309 ; 0003-2697
    ISSN (online) 1096-0309
    ISSN 0003-2697
    DOI 10.1016/j.ab.2021.114477
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  9. Artikel ; Online: Experimental evidence that electrospray-produced sodiated lysophosphatidyl ester structures exist essentially as protonated salts.

    Colsch, Benoit / Damont, Annelaure / Junot, Christophe / Fenaille, François / Tabet, Jean-Claude

    European journal of mass spectrometry (Chichester, England)

    2019  Band 25, Heft 3, Seite(n) 333–338

    Abstract: Sodiated lysoglycerophosphatidylethanolamine (LGPE) and lysoglycerophosphatidylcholine (LGPC) species dissociate under low collision energy by covalent bond cleavage resulting in product ions with either sodium retention or without sodium retention. For ... ...

    Abstract Sodiated lysoglycerophosphatidylethanolamine (LGPE) and lysoglycerophosphatidylcholine (LGPC) species dissociate under low collision energy by covalent bond cleavage resulting in product ions with either sodium retention or without sodium retention. For explaining these fragmentations, sodium chelation by heteroatoms (as charge-solvated structures) is often considered, and consequently, under keV collision conditions, sodium is "spectator" of cleavages (charge remote fragmentation). However, cleavage of such charge-solvated forms under low-energy conditions should result in sodium desolvation rather than covalent bond cleavage. In the present study, protonated salts are proposed as the main representative structures of the sodiated LGPE and LGPC forms. These structures are generated from sodiation of zwitterionic and betaine forms of LGPE and LGPC molecules, respectively. Experimental evidence to determine which structure is involved in the dissociations is provided, especially by comparing the dissociation of LGPL sodiated forms with that of sodiated polyethylene glycols. Energy-resolved mass spectrometry breakdown experiments were performed on a quadrupole time-of-flight instrument to demonstrate that both LGPE and LGPC sodiated forms exist as protonated salt structures. From such structures, proton migration by prototropy can result in different bond cleavages whereas the salt moiety remains spectator of these processes.
    Sprache Englisch
    Erscheinungsdatum 2019-03-25
    Erscheinungsland England
    Dokumenttyp Journal Article
    ISSN 1751-6838
    ISSN (online) 1751-6838
    DOI 10.1177/1469066719838924
    Datenquelle MEDical Literature Analysis and Retrieval System OnLINE

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  10. Artikel ; Online: Reply to: "Serum metabolic signatures in patients with overt hepatic encephalopathy": Metabolic signature for severe cirrhosis with inflammation or hepatic encephalopathy: Do we really face two different entities?

    Weiss, Nicolas / Colsch, Benoit / Fenaille, François / Junot, Christophe / Thabut, Dominique

    Journal of hepatology

    2017  Band 67, Heft 5, Seite(n) 1115–1116

    Mesh-Begriff(e) Hepatic Encephalopathy ; Humans ; Inflammation ; Liver Cirrhosis
    Sprache Englisch
    Erscheinungsdatum 2017-07-06
    Erscheinungsland Netherlands
    Dokumenttyp Letter ; Comment
    ZDB-ID 605953-3
    ISSN 1600-0641 ; 0168-8278
    ISSN (online) 1600-0641
    ISSN 0168-8278
    DOI 10.1016/j.jhep.2017.06.032
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