Articles in peer-review journals

Publications HAL de la structure 406222;390459

2021

Journal articles

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Chloé Bardet, Olivier Barraud, Marc Clavel, Tanguy Fortin, Jean-Philippe Charrier, et al.. Early and specific targeted mass spectrometry-based identification of bacteria in endotracheal aspirates of patients suspected with ventilator-associated pneumonia. European Journal of Clinical Microbiology and Infectious Diseases, Springer Verlag, 2021, 40 (6), pp.1291-1301. ⟨10.1007/s10096-020-04132-y⟩. ⟨hal-03318498⟩
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Simon Dörner, Lucas Schwob, Kaja Schubert, Marion Girod, Luke Macaleese, et al.. The influence of the methionine residue on the dissociation mechanisms of photoionized methionine-enkephalin probed by VUV action spectroscopy. The European Physical Journal D : Atomic, molecular, optical and plasma physics, EDP Sciences, 2021, 75 (4), ⟨10.1140/epjd/s10053-021-00147-y⟩. ⟨hal-03343271⟩
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Jean-Valery Guillaubez, Delphine Pitrat, Yann Bretonnière, Jérôme Lemoine, Marion Girod. Unbiased Detection of Cysteine Sulfenic Acid by 473 nm Photodissociation Mass Spectrometry: Toward Facile In Vivo Oxidative Status of Plasma Proteins. Analytical Chemistry, American Chemical Society, 2021, 93 (5), pp.2907-2915. ⟨10.1021/acs.analchem.0c04484⟩. ⟨hal-03151805⟩
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Tingting Fu, Oskar Knittelfelder, Yohann Clément, Eric Testet, Nicolas Elie, et al.. Shotgun lipidomics and mass spectrometry imaging unveil diversity and dynamics in Gammarus fossarum lipid composition. iScience, Elsevier, 2021, 24 (2), pp.1-44. ⟨10.1016/j.isci.2021.102115⟩. ⟨hal-03134038⟩
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Maxence Wilmet, Clément Lebastard, Flavien Sciortino, Clothilde Zerbino, Luke Macaleese, et al.. Revisiting Properties of Edge-Bridged Bromide Tantalum Clusters in the Solid-State, in Solution and vice-versa: An Intertwined Experimental and Modelling Approach. Dalton Transactions, Royal Society of Chemistry, 2021, 50, pp.8002-8016. ⟨10.1039/D0DT04200E⟩. ⟨hal-03208710⟩
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Aurélien Le Fèvre, Philippe Dugourd, Fabien Chirot. Exploring Conformational Landscapes Using Trap and Release Tandem Ion Mobility Spectrometry. Analytical Chemistry, American Chemical Society, 2021, 93 (9), pp.4183-4190. ⟨10.1021/acs.analchem.0c04520⟩. ⟨hal-03151840⟩
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2020

Journal articles

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Ivano Di Meo, Chiara Cavestro, Silvia Pedretti, Tingting Fu, Simona Ligorio, et al.. Neuronal Ablation of CoA Synthase Causes Motor Deficits, Iron Dyshomeostasis, and Mitochondrial Dysfunctions in a CoPAN Mouse Model. International Journal of Molecular Sciences, MDPI, 2020, 21 (24), pp.9707. ⟨10.3390/ijms21249707⟩. ⟨hal-03116877⟩
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Tingting Fu, Janina Oetjen, Manuel Chapelle, Alexandre Verdu, Matthias Szesny, et al.. In situ isobaric lipid mapping by MALDI-ion mobility separation-mass spectrometry imaging. Journal of Mass Spectrometry, Wiley-Blackwell, 2020, 55 (9), pp.e4531. ⟨10.1002/jms.4531⟩. ⟨hal-03113280⟩
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Fabrice Saintmont, Julien de Winter, Fabien Chirot, Emilie Halin, Philippe Dugourd, et al.. How Spherical Are Gaseous Low Charged Dendrimer Ions: A Molecular Dynamics/Ion Mobility Study?. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2020, 31 (8), pp.1673-1683. ⟨10.1021/jasms.0c00113⟩. ⟨hal-02923341⟩
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Julien Faugere, Duarte Gouveia, Sophie Ayciriex, Arnaud Chaumot, Christine Almunia, et al.. High-multiplexed monitoring of protein biomarkers in the sentinel Gammarus fossarum by targeted scout-MRM assay, a new vision for ecotoxicoproteomics. Journal of Proteomics, Elsevier, 2020, 226, ⟨10.1016/j.jprot.2020.103901⟩. ⟨hal-02903090⟩
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Clothilde Comby-Zerbino, Franck Bertorelle, Philippe Dugourd, Rodolphe Antoine, Fabien Chirot. Structure and Charge Heterogeneity in Isomeric Au25(MBA)18 Nanoclusters—Insights from Ion Mobility and Mass Spectrometry. Journal of Physical Chemistry A, American Chemical Society, 2020, 124 (28), pp.5840-5848. ⟨10.1021/acs.jpca.0c03131⟩. ⟨hal-02919814⟩
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Arnaud Salvador, Romain Carrière, Sophie Ayciriex, Christelle Margoum, Yves Leblanc, et al.. Scout-multiple reaction monitoring: A liquid chromatography tandem mass spectrometry approach for multi-residue pesticide analysis without time scheduling. Journal of Chromatography A, Elsevier, 2020, 1621, pp.461046. ⟨10.1016/j.chroma.2020.461046⟩. ⟨hal-02771252⟩
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Salomé Poyer, Chang Min Choi, Claire Deo, Nicolas Bogliotti, Juan Xie, et al.. Kinetic study of azobenzene E/Z isomerization using ion mobility-mass spectrometry and liquid chromatography-UV detection. Analyst, Royal Society of Chemistry, 2020, 145, pp.4012-4020. ⟨10.1039/D0AN00048E⟩. ⟨hal-02550455⟩
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Maxime Leprêtre, Christine Almunia, J. Armengaud, Antoine Le Guernic, Arnaud Salvador, et al.. Identification of immune-related proteins of Dreissena polymorpha hemocytes and plasma involved in host-microbe interactions by differential proteomics. Scientific Reports, Nature Publishing Group, 2020, 10 (1), pp.Article number: 6226. ⟨10.1038/s41598-020-63321-z⟩. ⟨hal-02608535⟩
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Sophie Ayciriex, Romain Carrière, Chloé Bardet, Yves Le Blanc, Arnaud Salvador, et al.. Streamlined Development of Targeted Mass Spectrometry‐Based Method Combining Scout‐MRM and a Web‐Based Tool Indexed with Scout Peptides. Proteomics, Wiley-VCH Verlag, 2020, pp.1900254. ⟨10.1002/pmic.201900254⟩. ⟨hal-02436928⟩
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Mathilde Bouakil, Fabien Chirot, Marion Girod, P. Dugourd, L. Macaleese. Secondary structure effects on internal proton transfer in poly-peptides. Structural Dynamics, AIP Publishing, 2020, 7 (2), pp.024302. ⟨10.1063/4.0000003⟩. ⟨hal-02532742⟩
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Damien Fournier, Romain Carrière, Maxime Bour, Emilie Grisot, Pauline Triponney, et al.. Mechanisms of Resistance to Ceftolozane/Tazobactam in Pseudomonas aeruginosa : Results of the GERPA Multicenter Study. Antimicrobial Agents and Chemotherapy, American Society for Microbiology, 2020, ⟨10.1128/AAC.01117-20⟩. ⟨hal-03028399⟩
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Maxime Leprêtre, Mélissa Palos-Ladeiro, Julien Faugere, Christine Almunia, Jérôme Lemoine, et al.. From shotgun to targeted proteomics: rapid Scout-MRM assay development for monitoring potential immunomarkers in Dreissena polymorpha. Analytical and Bioanalytical Chemistry, Springer Verlag, 2020, 412, pp.7333-7347. ⟨10.1007/s00216-020-02868-2⟩. ⟨hal-02925888⟩
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2019

Journal articles

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Mathieu Lalande, Lucas Schwob, Violaine Vizcaino, Fabien Chirot, Philippe Dugourd, et al.. Direct Radiation Effects on the Structure and Stability of Collagen and Other Proteins. ChemBioChem, Wiley-VCH Verlag, 2019, 20, pp.1-10. ⟨10.1002/cbic.201900202⟩. ⟨hal-02295917⟩
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Maxime Lepretre, Christine Almunia, J. Armengaud, Arnaud Salvador, Alain Geffard, et al.. The immune system of the freshwater zebra mussel, Dreissena polymorpha, decrypted by proteogenomics of hemocytes and plasma compartments. Journal of Proteomics, Elsevier, 2019, 202, pp.103366. ⟨10.1016/j.jprot.2019.04.016⟩. ⟨hal-02108964⟩
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Duarte Gouveia, Christine Almunia, Yannick Cogne, Olivier Pible, Davide Degli Esposti, et al.. Ecotoxicoproteomics: A decade of progress in our understanding of anthropogenic impact on the environment. Journal of Proteomics, Elsevier, 2019, 198, pp.66-77. ⟨10.1016/j.jprot.2018.12.001⟩. ⟨hal-02109172⟩
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Marion Girod. Increasing specificity of tandem mass spectrometry by laser‐induced dissociation. Rapid Communications in Mass Spectrometry, Wiley, 2019, Perspectives on the future of Mass Spectrometry, 33 (S3), pp.64-71. ⟨10.1002/rcm.8148⟩. ⟨hal-02389133⟩
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2018

Journal articles

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Franck Bertorelle, Isabelle Russier-Antoine, Clothilde Comby-Zerbino, Fabien Chirot, Philippe Dugourd, et al.. Isomeric Effect of Mercaptobenzoic Acids on the Synthesis, Stability, and Optical Properties of Au 25 (MBA) 18 Nanoclusters. ACS Omega, ACS Publications, 2018, 3 (11), pp.15635-15642. ⟨10.1021/acsomega.8b02615⟩. ⟨hal-02108463⟩
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Mathieu Lalande, Clothilde Comby-Zerbino, Mathilde Bouakil, Philippe Dugourd, Fabien Chirot, et al.. Isolated Collagen Mimetic Peptide Assemblies Have Stable Triple-Helix Structures. Chemistry - A European Journal, Wiley-VCH Verlag, 2018, 24 (52), pp.13728 - 13733. ⟨10.1002/chem.201802929⟩. ⟨hal-01900222⟩
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Luke Macaleese, Marion Girod, Laurent Nahon, Alexandre Giuliani, Rodolphe Antoine, et al.. Radical Anions of Oxidized vs. Reduced Oxytocin: Influence of Disulfide Bridges on CID and Vacuum UV Photo-Fragmentation. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2018, 29 (9), pp.1826-1834. ⟨10.1007/s13361-018-1989-8⟩. ⟨hal-01864504⟩
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Clothilde Comby-Zerbino, Franck Bertorelle, Fabien Chirot, Philippe Dugourd, Rodolphe Antoine. Structural insights into glutathione-protected gold Au10−12(SG)10−12 nanoclusters revealed by ion mobility mass spectrometry. The European Physical Journal D : Atomic, molecular, optical and plasma physics, EDP Sciences, 2018, 72 (8), pp.Article Number: 144. ⟨10.1140/epjd/e2018-90133-8⟩. ⟨hal-01900250⟩
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Aurore Charnot, Duarte Gouveia, Sophie Ayciriex, Jérôme Lemoine, J. Armengaud, et al.. On-Line Solid Phase Extraction Liquid Chromatography-Mass Spectrometry Method for Multiplexed Proteins Quantitation in an Ecotoxicology Test Specie: Gammarus fossarum. Journal of Applied Bioanalysis, Betasciencepress Publishers, 2018, 4 (3), pp.81-101. ⟨10.17145/jab.18.012⟩. ⟨hal-01860702⟩
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Tiphaine Cecchini, Eun-Jeong Yoon, Yannick Charretier, Chloé Bardet, Corinne Beaulieu, et al.. Deciphering Multifactorial Resistance Phenotypes in Acinetobacter baumannii by Genomics and Targeted Label-free Proteomics. Molecular and Cellular Proteomics, American Society for Biochemistry and Molecular Biology, 2018, 17 (3), pp.442 - 456. ⟨10.1074/mcp.RA117.000107⟩. ⟨hal-01767739⟩
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Lény Garcia, Marion Girod, Magali Rompais, Philippe Dugourd, Christine Carapito, et al.. Data-Independent Acquisition Coupled to Visible Laser-Induced Dissociation at 473 nm (DIA-LID) for Peptide-Centric Specific Analysis of Cysteine-Containing Peptide Subset. Analytical Chemistry, American Chemical Society, 2018, 90 (6), pp.3928 - 3935. ⟨10.1021/acs.analchem.7b04821⟩. ⟨hal-01767310⟩
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Jean Haler, Philippe Massonnet, Fabien Chirot, Christopher Kune, Clothilde Comby-Zerbino, et al.. Comparison of Different Ion Mobility Setups Using Poly (Ethylene Oxide) PEO Polymers: Drift Tube, TIMS, and T-Wave. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2018, 29 (1), pp.114-120. ⟨10.1007/s13361-017-1822-9⟩. ⟨hal-01704016⟩
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Steven Daly, Luke Macaleese, Philippe Dugourd, Fabien Chirot. Combining Structural Probes in the Gas Phase - Ion Mobility-Resolved Action-FRET. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2018, 29 (1), pp.133-139. ⟨10.1007/s13361-017-1824-7⟩. ⟨hal-01704152⟩
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Chang Min Choi, Luke Macaleese, Philippe Dugourd, Myoung Choul Choi, Fabien Chirot. Photo-induced linkage isomerization in the gas phase probed by tandem ion mobility and laser spectroscopy. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2018, 20 (17), pp.12223-12228. ⟨10.1039/c8cp01833b⟩. ⟨hal-01859155⟩
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Mohammad Halim, Luke Macaleese, Jérôme Lemoine, Rodolphe Antoine, Philippe Dugourd, et al.. Ultraviolet, Infrared, and High-Low Energy Photodissociation of Post-Translationally Modified Peptides. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2018, 29 (2), pp.270 - 283. ⟨10.1007/s13361-017-1794-9⟩. ⟨hal-01767664⟩
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2017

Journal articles

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Antonin Soleilhac, Franck Bertorelle, Clothilde Comby-Zerbino, Fabien Chirot, Nathalie Calin, et al.. Size Characterization of Glutathione-Protected Gold Nanoclusters in the Solid, Liquid and Gas Phases. Journal of Physical Chemistry C, American Chemical Society, 2017, 121 (49), pp.27733 - 27740. ⟨10.1021/acs.jpcc.7b09500⟩. ⟨hal-01679519⟩
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Quentin Duez, Fabien Chirot, Romain Liénard, Thomas Josse, Chang Min Choi, et al.. Polymers for Traveling Wave Ion Mobility Spectrometry Calibration. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2017, 28 (11), pp.2483-2491. ⟨10.1007/s13361-017-1762-4⟩. ⟨hal-01608986⟩
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Duarte Gouveia, Arnaud Chaumot, Aurore Charnot, Christine Almunia, Adeline François, et al.. Ecotoxico-Proteomics for Aquatic Environmental Monitoring: First in Situ Application of a New Proteomics-Based Multibiomarker Assay Using Caged Amphipods. Environmental Science and Technology, American Chemical Society, 2017, 51 (22), pp.13417-13426. ⟨10.1021/acs.est.7b03736⟩. ⟨hal-01663631⟩
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Piia Liigand, Agnes Heering, Karl Kaupmees, Ivo Leito, Marion Girod, et al.. The Evolution of Electrospray Generated Droplets is Not Affected by Ionization Mode. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2017, 28 (10), pp.2124 - 2131. ⟨10.1007/s13361-017-1737-5⟩. ⟨hal-01598111⟩
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D. Gouveia, Arnaud Chaumot, A. Charnot, H. Quéau, J. Armengaud, et al.. Assessing the relevance of a multiplexed methodology for proteomic biomarker measurement in the invertebrate species Gammarus fossarum : A physiological and ecotoxicological study. Aquatic Toxicology, Elsevier, 2017, 190, pp.199 - 209. ⟨10.1016/j.aquatox.2017.07.007⟩. ⟨hal-01682339⟩
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Antonin Soleilhac, Franck Bertorelle, Philippe Dugourd, Marion Girod, Rodolphe Antoine. Monitoring methanol-induced protein unfolding by fluorescence anisotropy measurements of covalently labelled rhodamine probe. The European Physical Journal D : Atomic, molecular, optical and plasma physics, EDP Sciences, 2017, 71 (6), ⟨10.1140/epjd/e2017-70760-3⟩. ⟨hal-01569441⟩
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Piia Liigand, Karl Kaupmees, Kristjan Haav, Jaanus Liigand, Ivo Leito, et al.. Think Negative: Finding the Best Electrospray Ionization/MS Mode for Your Analyte. Analytical Chemistry, American Chemical Society, 2017, 89 (11), pp.5665-5668. ⟨10.1021/acs.analchem.7b00096⟩. ⟨hal-01546359⟩
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Aurore Charnot, Duarte Gouveia, J. Armengaud, Christine Almunia, Arnaud Chaumot, et al.. Multiplexed assay for protein quantitation in the invertebrate Gammarus fossarum by liquid chromatography coupled to tandem mass spectrometry. Analytical and Bioanalytical Chemistry, Springer Verlag, 2017, 409 (16), pp.3969-3991. ⟨10.1007/s00216-017-0348-0⟩. ⟨hal-01539762⟩
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Steven Daly, Chang Min Choi, Athanasios Zavras, Marjan Krstic, Fabien Chirot, et al.. Gas-Phase Structural and Optical Properties of Homo- and Heterobimetallic Rhombic Dodecahedral Nanoclusters [Ag 14? n Cu n (C?C t Bu) 12 X] + (X = Cl and Br): Ion Mobility, VUV and UV Spectroscopy, and DFT Calculations. Journal of Physical Chemistry C, American Chemical Society, 2017, 121 (20), pp.10719 - 10727. ⟨10.1021/acs.jpcc.7b02663⟩. ⟨hal-01544767⟩
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Steven Daly, Chang Min Choi, Fabien Chirot, Luke Macaleese, Rodolphe Antoine, et al.. Action-Self Quenching: Dimer-Induced Fluorescence Quenching of Chromophores as a Probe for Biomolecular Structure. Analytical Chemistry, American Chemical Society, 2017, 89 (8), pp.4604-4610. ⟨10.1021/acs.analchem.7b00152⟩. ⟨hal-01539953⟩
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Q Duez, T. Josse, Vincent Lemaur, Fabien Chirot, Chang Min Choi, et al.. Correlation between the shape of the ion mobility signals and the stepwise folding process of polylactide ions. Journal of Mass Spectrometry, Wiley-Blackwell, 2017, 52 (3), pp.133-138. ⟨10.1002/jms.3915⟩. ⟨hal-01518997⟩
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Blandine Rougemont, Sebastien Gallo, Sophie Ayciriex, Romain Carrière, Hubert Hondermarck, et al.. Scout-MRM: Multiplexed Targeted Mass Spectrometry-Based Assay without Retention Time Scheduling Exemplified by Dickeya dadantii Proteomic Analysis during Plant Infection. Analytical Chemistry, American Chemical Society, 2017, 89 (3), pp.1421-1426 ⟨10.1021/acs.analchem.6b03201⟩. ⟨hal-01518912⟩
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Steven Daly, Geoffrey Knight, Mohamed Abdul Halim, Alexander Kulesza, Chang Min Choi, et al.. Action-FRET of a Gaseous Protein. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2017, 28 (1), pp.38 - 49. ⟨10.1007/s13361-016-1449-2⟩. ⟨hal-01682690⟩
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Lény Garcia, Jérôme Lemoine, Philippe Dugourd, Marion Girod. Fragmentation patterns of chromophore-tagged peptides in visible laser induced dissociation. Rapid Communications in Mass Spectrometry, Wiley, 2017, 31 (23), pp.1985-1992. ⟨10.1002/rcm.7984⟩. ⟨hal-01646160⟩
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2016

Journal articles

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Izabella Czerwinska, Alexander Kulesza, Chang Min Choi, Fabien Chirot, Anne-Laure Simon, et al.. Supramolecular influence on cis-trans isomerization probed by ion mobility spectrometry.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (47), pp.32331-32336. ⟨10.1039/C6CP06168K⟩. ⟨hal-01546592⟩
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Steven Daly, Marion Girod, Marin Vojkovic, Alexandre Giuliani, Rodolphe Antoine, et al.. Single-Photon, Double Photodetachment of Nickel Phthalocyanine Tetrasulfonic Acid 4-Anions. Journal of Physical Chemistry Letters, American Chemical Society, 2016, 7 (13), pp.2586-2590. ⟨10.1021/acs.jpclett.6b01030⟩. ⟨hal-01344589⟩
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Alexandra Gaubert, Jéremy Jeudy, Blandine Rougemont, Claire Bordes, Jérôme Lemoine, et al.. Identification and absolute quantification of enzymes in laundry detergents by liquid chromatography tandem mass spectrometry. Analytical and Bioanalytical Chemistry, Springer Verlag, 2016, 408 (17), pp.4669-4681. ⟨10.1007/s00216-016-9550-8⟩. ⟨hal-01356216⟩
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Athanasios Zavras, George N. Khairallah, Marjan Krstić, Marion Girod, Steven Daly, et al.. Ligand-induced substrate steering and reshaping of [Ag-2(H)](+) scaffold for selective CO2 extrusion from formic acid. Nature Communications, Nature Publishing Group, 2016, 7, pp.Article Number: 11746. ⟨10.1038/ncomms11746⟩. ⟨hal-01356285⟩
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Antonin Soleilhac, Marion Girod, Philippe Dugourd, Béatrice Burdin, Julien Parvole, et al.. Temperature Response of Rhodamine B-Doped Latex Particles. From Solution to Single Particles. Langmuir, American Chemical Society, 2016, 32 (16), pp.4052-4058. ⟨10.1021/acs.langmuir.6b00647⟩. ⟨hal-01356205⟩
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Valéria Lepère, Katia Le Barbu-Debus, Carine Clavaguera, Deborah Scuderi, Giovanni Piani, et al.. Chirality-dependent structuration of protonated or sodiated polyphenylalanines: IRMPD and ion mobility studies. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (3), pp.1807-18017. ⟨10.1039/c5cp06768e⟩. ⟨hal-01356198⟩
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Mohammad A Halim, Marion Girod, Luke Macaleese, Jérôme Lemoine, Rodolphe Antoine, et al.. Combined Infrared Multiphoton Dissociation with Ultraviolet Photodissociation for Ubiquitin Characterization. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2016, 27 (9), pp.1435-1442. ⟨10.1007/s13361-016-1419-8⟩. ⟨hal-01344631⟩
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Steven Daly, Alexander Kulesza, Frederic Poussigue, Anne-Laure Simon, Chang Min Choi, et al.. Conformational changes in amyloid-beta (12-28) alloforms studied using action-FRET, IMS and molecular dynamics simulations (vol 6, pg 5040, 2015). Chemical Science , The Royal Society of Chemistry, 2016, 7, pp.1609-1610. ⟨10.1039/c5sc90069g⟩. ⟨hal-02303924⟩
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Chang Min Choi, Anne-Laure Simon, Fabien Chirot, Alexander Kulesza, Geoffrey Knight, et al.. Charge, Color, and Conformation: Spectroscopy on Isomer-Selected Peptide Ions. Journal of Physical Chemistry B, American Chemical Society, 2016, 120 (4), pp.709-714. ⟨10.1021/acs.jpcb.5b11919⟩. ⟨hal-01345016⟩
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Blandine Rougemont, Catherine Fonbonne, Jérôme Lemoine, Vanessa Bourgeaux, Arnaud Salvador. Liquid chromatography coupled to tandem mass spectrometry for the analysis of inositol hexaphosphate after solid-phase extraction. Journal of Liquid Chromatography and Related Technologies, Taylor & Francis: STM, Behavioural Science and Public Health Titles, 2016, 39 (8), pp.408-414. ⟨10.1080/10826076.2016.1169427⟩. ⟨hal-01356192⟩
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2015

Journal articles

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Jaanus Liigand, Anneli Kruve, Piia Liigand, Asko Laaniste, Marion Girod, et al.. Transferability of the electrospray ionization efficiency scale between different instruments. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2015, 26 (11), pp.1923-1930. ⟨10.1007/s13361-015-1219-6⟩. ⟨hal-01229075⟩
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Blandine Rougemont, Romain Simon, Romain Carrière, Jordane Biarc, Catherine Fonbonne, et al.. Absolute quantification of dengue virus serotype 4 chimera vaccine candidate in Vero cell culture by targeted mass spectrometry. Proteomics, Wiley-VCH Verlag, 2015, 15 (19), pp.3320-3330. ⟨10.1002/pmic.201500101⟩. ⟨hal-01229336⟩
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Yannick Charretier, Olivier Dauwalder, Christine Franceschi, Elodie Degout-Charmette, Gilles Zambardi, et al.. Rapid bacterial identification, resistance, virulence and type profiling using selected reaction monitoring mass spectrometry. Scientific Reports, Nature Publishing Group, 2015, 5, pp.Article Number: 13944. ⟨10.1038/srep13944⟩. ⟨hal-01229864⟩
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Kévin Jeanne Dit Fouque, Hélène Lavanant, Séverine Zirah, Jérôme Lemoine, Sylvie Rebuffat, et al.. Gas-phase conformations of capistruin - comparison of lasso, branched-cyclic and linear topologies. Rapid Communications in Mass Spectrometry, Wiley, 2015, 29 (15), pp.1411-1419. ⟨10.1002/rcm.7231⟩. ⟨hal-01186671⟩
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Jordane Biarc, Romain Simon, Catherine Fonbonne, Jean-François Léonard, Jean-Charles Gauthier, et al.. Absolute quantification of podocalyxin, a potential biomarker of glomerular injury in human urine, by liquid chromatography-mass spectrometry. Journal of Chromatography A, Elsevier, 2015, 1397, pp.81-85. ⟨10.1016/j.chroma.2015.04.003⟩. ⟨hal-01164871⟩
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Marion Girod, Zeljka Sanader, Marin Vojkovic, Rodolphe Antoine, Luke Macaleese, et al.. UV Photo-dissociation of proline-containing peptide ions: Insights from molecular dynamics. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2015, 26 (3), pp.432-443. ⟨10.1007/s13361-014-1038-1⟩. ⟨hal-01345987⟩
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Steven Daly, Alexander Kulesza, F Poussigue, Anne-Laure Simon, Chang Min Choi, et al.. Conformational changes in Amyloid-Beta (12-28) alloforms studied using action-FRET, IMS and molecular dynamics simulations. Chemical Science , The Royal Society of Chemistry, 2015, 6 (8), pp.5040-5047. ⟨10.1039/C5SC01463H⟩. ⟨hal-01344545⟩
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Antonin Soleilhac, Xavier Dagany, Philippe Dugourd, Marion Girod, Rodolphe Antoine. Correlating droplet size with temperature changes in electrospray source by optical methods.. Analytical Chemistry, American Chemical Society, 2015, 87 (16), pp.8210-8217. ⟨10.1021/acs.analchem.5b00976⟩. ⟨hal-01344760⟩
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Anne-Laure Simon, Fabien Chirot, Chang Min Choi, Christian Clavier, Marc Barbaire, et al.. Tandem ion mobility spectrometry coupled to laser excitation. Review of Scientific Instruments, American Institute of Physics, 2015, 86 (9), pp.Article Number: 094101. ⟨10.1063/1.4930604⟩. ⟨hal-01344740⟩
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2014

Journal articles

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Marion Girod, Marjan Krstić, Rodolphe Antoine, Luke Macaleese, Jérôme Lemoine, et al.. Formation and characterisation of the silver hydride nanocluster cation [Ag3H2((Ph2P)(2)CH2)](+) and its release of hydrogen. Chemistry - A European Journal, Wiley-VCH Verlag, 2014, 20 (50), pp.16626-16633. ⟨10.1002/chem.201404110⟩. ⟨hal-01230129⟩
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Judith Trapp, J. Armengaud, Arnaud Salvador, Arnaud Chaumot, Geffard Olivier. Next-generation proteomics: toward customized biomarkers for environmental biomonitoring. Environmental Science and Technology, American Chemical Society, 2014, 48 (23), pp.13560-13572. ⟨10.1021/es501673s⟩. ⟨hal-01230133⟩
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Rodolphe Antoine, Jérôme Lemoine, Philippe Dugourd. Electron photodetachment dissociation for structural characterization of synthetic and bio-polymer anions. Mass Spectrometry Reviews, Wiley, 2014, 33 (6), pp.501-522. ⟨10.1002/mas.21402⟩. ⟨hal-00954983⟩
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Jaanus Liigand, Anneli Kruve, Ivo Leito, Marion Girod, Rodolphe Antoine. Effect of mobile phase on electrospray ionization efficiency. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2014, 25 (11), pp.1853-1861. ⟨10.1007/s13361-014-0969-x⟩. ⟨hal-01230362⟩
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Alexander Chramow, Tanam S Hamid, Livia S Eberlin, Marion Girod, Demian R Ifa. Imaging of whole zebra fish (Danio rerio) by desorption electrospray ionization mass spectrometry.. Rapid Communications in Mass Spectrometry, Wiley, 2014, 28 (19), pp.2084-2088. ⟨10.1002/rcm.6993⟩. ⟨hal-01070832⟩
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Jordane Biarc, Philippe Gonzalo, Ivan Mikaelian, Laurent Fattet, Mathieu Deygas, et al.. Combination of a discovery LC-MS/MS analysis and a label-free quantification for the characterization of an epithelial-mesenchymal transition signature. Journal of Proteomics, Elsevier, 2014, 110, pp.183-194. ⟨10.1016/j.jprot.2014.05.026⟩. ⟨hal-01230272⟩
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Romain Simon, Sébastien Passeron, Jérôme Lemoine, Arnaud Salvador. Hydrophilic interaction liquid chromatography as second dimension in multidimensional chromatography with an anionic trapping strategy: application to prostate-specific antigen quantification.. Journal of Chromatography A, Elsevier, 2014, 1354, pp.75-84. ⟨10.1016/j.chroma.2014.05.063⟩. ⟨hal-01071821⟩
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Quentin Enjalbert, Marion Girod, Jérémy Jeudy, Jordane Biarc, Romain Simon, et al.. Combined collision-induced dissociation and photo-selected reaction monitoring mass spectrometry modes for simultaneous analysis of coagulation factors and estrogens. Journal of Pharmaceutical Analysis, Elsevier B.V. on behalf of Xi'an Jiaotong University, 2014, 4 (3), pp.183-189. ⟨10.1016/j.jpha.2013.09.004⟩. ⟨hal-01356364⟩
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Romain Simon, Jérôme Lemoine, Catherine Fonbonne, Aurore Jaffuel, Jean-François Léonard, et al.. Absolute quantification of podocin, a potential biomarker of glomerular injury in human urine, by liquid chromatography-multiple reaction monitoring cubed mass spectrometry. Journal of Pharmaceutical and Biomedical Analysis, Elsevier, 2014, 94, pp.84-91. ⟨10.1016/j.jpba.2014.01.019⟩. ⟨hal-00954969⟩
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Yuefei Ji, Corinne Ferronato, Arnaud Salvador, Xi Yang, Jean-Marc Chovelon. Degradation of ciprofloxacin and sulfamethoxazole by ferrous-activated persulfate: implications for remediation of groundwater contaminated by antibiotics.. Science of the Total Environment, Elsevier, 2014, 472, pp.800-808. ⟨10.1016/j.scitotenv.2013.11.008⟩. ⟨hal-00967478⟩
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Jéremy Jeudy, Arnaud Salvador, Romain Simon, Aurore Jaffuel, Catherine Fonbonne, et al.. Overcoming biofluid protein complexity during targeted mass spectrometry detection and quantification of protein biomarkers by MRM cubed (MRM3). Analytical and Bioanalytical Chemistry, Springer Verlag, 2014, 406 (4), pp.1193-1200. ⟨10.1007/s00216-013-7266-6⟩. ⟨hal-00954963⟩
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David Ropartz, Jérôme Lemoine, Alexandre Giuliani, Yann Bittebiere, Quentin Enjalbert, et al.. Deciphering the structure of isomeric oligosaccharides in a complex mixture by tandem mass spectrometry: photon activation with vacuum ultra-violet brings unique information and enables definitive structure assignment.. Analytica Chimica Acta, Elsevier Masson, 2014, 807, pp.84-95. ⟨10.1016/j.aca.2013.11.018⟩. ⟨hal-00954660⟩
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R. Hazime, Q. H. Nguyen, Corinne Ferronato, Arnaud Salvador, F. Jaber, et al.. Comparative study of imazalil degradation in three systems: UV/TiO2, UV/K2S2O8 and UV/TiO2/K2S2O8. Applied Catalysis B: Environmental, Elsevier, 2014, 144, pp.286-291. ⟨10.1016/j.apcatb.2013.07.001⟩. ⟨hal-00905725⟩
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Matthias Vonderach, Marc-Oliver Winghart, Luke Macaleese, Fabien Chirot, Rodolphe Antoine, et al.. Conformer-selective photoelectron spectroscopy of alpha-lactalbumin derived multianions in the gas phase. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (7), pp.3007-3013. ⟨10.1039/c3cp54596b⟩. ⟨hal-00954595⟩
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Marion Girod, Quentin Enjalbert, Claire Brunet, Rodolphe Antoine, Jérôme Lemoine, et al.. Structural basis of protein oxidation resistance: a lysozyme study.. PLoS ONE, Public Library of Science, 2014, 9 (7), pp.e101642. ⟨10.1371/journal.pone.0101642⟩. ⟨hal-01071810⟩
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Marion Girod, Jordane Biarc, Quentin Enjalbert, Arnaud Salvador, Rodolphe Antoine, et al.. Implementing visible 473 nm photodissociation in a Q-Exactive mass spectrometer: towards specific detection of cysteine-containing peptides. Analyst, Royal Society of Chemistry, 2014, 139 (21), pp.5523-5530. ⟨10.1039/C4AN00956H⟩. ⟨hal-01345989⟩
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2013

Journal articles

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Le Thi Nga, Jean Christophe Poully, Frédéric Lecomte, Nicolas Nieuwjaer, Bruno Manil, et al.. Gas-phase structure of amyloid-β (12 - 28) peptide investigated by infrared spectroscopy, electron capture dissociation and ion mobility mass spectrometry.. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2013, 24 (12), pp.1937-1949. ⟨10.1007/s13361-013-0722-x⟩. ⟨hal-00924163⟩
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Vincent Lemaur, Glenn Carroy, Frédéric Poussigue, Fabien Chirot, Julien de Winter, et al.. Homotropic allosterism: in-depth structural analysis of the gas-phase noncovalent complexes associating a double-cavity cucurbit[n]uril-type host and size-selected protonated amino compounds. ChemPlusChem, Wiley, 2013, 78 (9), pp.959-969. ⟨10.1002/cplu.201300208⟩. ⟨hal-00873938⟩
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Floriane Pailleux, Pascal Vachon, Jérôme Lemoine, Francis Beaudry. Targeted liquid chromatography quadrupole ion trap mass spectrometry analysis of tachykinin related peptides reveals significant expression differences in a rat model of neuropathic pain.. Neuropeptides, Elsevier, 2013, 47 (4), pp.261-271. ⟨10.1016/j.npep.2013.02.001⟩. ⟨hal-00851139⟩
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Aurore Jaffuel, Jérôme Lemoine, Catherine Aubert, Romain Simon, Jean-Francois Léonard, et al.. Optimization of liquid chromatography-multiple reaction monitoring cubed mass spectrometry assay for protein quantification: Application to aquaporin-2 water channel in human urine. Journal of Chromatography A, Elsevier, 2013, 1301, pp.122-130. ⟨10.1016/j.chroma.2013.05.068⟩. ⟨hal-00860529⟩
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Quentin Enjalbert, Claire Brunet, Arnaud Vernier, Abdul-Rahman Allouche, Rodolphe Antoine, et al.. Vacuum ultraviolet action spectroscopy of polysaccharides.. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2013, 24 (8), pp.1271-1279. ⟨10.1007/s13361-013-0657-2⟩. ⟨hal-00864641⟩
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Quentin Enjalbert, Marion Girod, Romain Simon, Jéremy Jeudy, Fabien Chirot, et al.. Improved detection specificity for plasma proteins by targeting cysteine-containing peptides with photo-SRM. Analytical and Bioanalytical Chemistry, Springer Verlag, 2013, 405 (7), pp.2321-2331. ⟨10.1007/s00216-012-6603-5⟩. ⟨hal-00875276⟩
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Yuefei Jia, Lei Zhou, Corinne Ferronato, Xi Yang, Arnaud Salvador, et al.. Photocatalytic degradation of atenolol in aqueous titanium dioxide suspensions: Kinetics, intermediates and degradation pathways. Journal of Photochemistry and Photobiology A: Chemistry, Elsevier, 2013, 254, pp.35-44. ⟨10.1016/j.jphotochem.2013.01.003⟩. ⟨hal-00875267⟩
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Marie Pérot-Taillandier, Séverine Zirah, Quentin Enjalbert, Rodolphe Antoine, Jérôme Lemoine, et al.. Prompt and slow electron-detachment-dissociation/electron-photodetachment-dissociation of a 21-mer Peptide.. Chemistry - A European Journal, Wiley-VCH Verlag, 2013, 19 (1), pp.350-357. ⟨10.1002/chem.201202578⟩. ⟨hal-00770793⟩
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Floriane Pailleux, Jérôme Lemoine, Francis Beaudry. Investigation of the metabolic biotransformation of substance P in liver microsomes by liquid chromatography quadrupole ion trap mass spectrometry. Biomedical Chromatography, Wiley, 2013, 27 (1), pp.39-47. ⟨10.1002/bmc.274⟩. ⟨hal-00875709⟩
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Marion Girod, Rodolphe Antoine, Jérôme Lemoine, Philippe Dugourd, Laurence Charles. Structural characterization of a poly(methacrylicacid)/poly(methylmethacrylate) copolymer by activated electron photo-detachment dissociation. International Journal of Mass Spectrometry, Elsevier, 2013, 333, pp.27-33. ⟨10.1016/j.ijms.2012.08.018⟩. ⟨hal-00875704⟩
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Arnaud Vernier, Fabien Chirot, Rodolphe Antoine, Arnaud Salvador, Jean-Philippe Charrier, et al.. Alternative representation for the stability diagram of quadrupole ion traps upon additional quadrupolar excitation. European Journal of Mass Spectrometry, IM Publications, 2013, 19 (3), pp.141-149. ⟨10.1255/ejms.1227⟩. ⟨hal-00873924⟩
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Yuefei Ji, Lei Zhou, Corinne Ferronato, Arnaud Salvador, Xi Yang, et al.. Degradation of sunscreen agent 2-phenylbenzimidazole-5-sulfonic acid by TiO2 photocatalysis: Kinetics, photoproducts and comparison to structurally related compounds. Applied Catalysis B: Environmental, Elsevier, 2013, 140, pp.457-467. ⟨10.1016/j.apcatb.2013.04.046⟩. ⟨hal-00860548⟩
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2012

Journal articles

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Romain Simon, Quentin Enjalbert, Jordane Biarc, Jérôme Lemoine, Arnaud Salvador. Evaluation of hydrophilic interaction chromatography (HILIC) versus C-18 reversed-phase chromatography for targeted quantification of peptides by mass spectrometry. Journal of Chromatography A, Elsevier, 2012, 1264, pp.31-39. ⟨10.1016/j.chroma.2012.09.059⟩. ⟨hal-00875257⟩
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Romain Simon, Marion Girod, Catherine Fonbonne, Arnaud Salvador, Yohann Clément, et al.. Total ApoE and ApoE4 isoform assays in an alzheimer's disease case-control study by targeted mass spectrometry (n=669): a pilot assay for methionine-containing proteotypic peptides. Molecular and Cellular Proteomics, American Society for Biochemistry and Molecular Biology, 2012, 11 (11), pp.1389-1403. ⟨10.1074/mcp.M112.018861⟩. ⟨hal-00875286⟩
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Guillaume Jubeaux, Romain Simon, Arnaud Salvador, Christelle Lopes, Emilie Lacaze, et al.. Vitellogenin-like protein measurement in caged Gammarus fossarum males as a biomarker of endocrine disruptor exposure: Inconclusive experience. Aquatic Toxicology, Elsevier, 2012, 122, pp.9-18. ⟨10.1016/j.aquatox.2012.05.007⟩. ⟨hal-00875205⟩
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R. Hazime, Corinne Ferronato, Ludovic Fine, Arnaud Salvador, F. Jaber, et al.. Photocatalytic degradation of imazalil in an aqueous suspension of TiO2 and influence of alcohols on the degradation. Applied Catalysis B: Environmental, Elsevier, 2012, 126, pp.90-99. ⟨10.1016/j.apcatb.2012.07.007⟩. ⟨hal-00915160⟩
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Isabelle Chaduc, Marion Girod, Rodolphe Antoine, Bernadette Charleux, Franck d'Agosto, et al.. Batch emulsion polymerization mediated by poly(methacrylic acid) macroRAFT agents: one-pot synthesis of self-stabilized particles. Macromolecules, American Chemical Society, 2012, 45 (15), pp.5881-5893. ⟨10.1021/ma300875y⟩. ⟨hal-00955084⟩
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Guillaume Jubeaux, Fabien Audouard-Combe, Romain Simon, Renaud Tutundjian, Arnaud Salvador, et al.. Vitellogenin-like proteins among invertebrate species diversity: potential of proteomic mass spectrometry for biomarker development. Environmental Science and Technology, American Chemical Society, 2012, 46 (11), pp.6315-6323. ⟨10.1021/es300550h⟩. ⟨hal-00875198⟩
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Guillaume Jubeaux, Romain Simon, Arnaud Salvador, Hervé Quéau, Arnaud Chaumot, et al.. Vitellogenin-like proteins in the freshwater amphipod Gammarus fossarum (Koch, 1835): Functional characterization throughout reproductive process, potential for use as an indicator of oocyte quality and endocrine disruption biomarker in males. Aquatic Toxicology, Elsevier, 2012, 112-113, pp.72-82. ⟨10.1016/j.aquatox.2012.01.011⟩. ⟨hal-00697838⟩
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Jérôme Lemoine, Tanguy Fortin, Arnaud Salvador, Aurore Jaffuel, Jean-Philippe Charrier, et al.. The current status of clinical proteomics and the use of MRM and MRM3 for biomarker validation. Expert Review of Molecular Diagnostics, Expert Reviews (formerly Future Drugs), 2012, 12 (4), pp.333-342. ⟨10.1586/ERM.12.32⟩. ⟨hal-00875727⟩
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Jérôme Lemoine, Tanguy Fortin, Arnaud Salvador, Aurore Jaffuel, Jean-Philippe Charrier, et al.. The current status of clinical proteomics and the use of MRM and MRM(3) for biomarker validation.. Expert Review of Molecular Diagnostics, Expert Reviews (formerly Future Drugs), 2012, 12 (4), pp.333-42. ⟨10.1586/erm.12.32⟩. ⟨hal-00873914⟩
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Claire Brunet, Rodolphe Antoine, Jérôme Lemoine, Philippe Dugourd. Soret band of the gas-phase ferri-cytochrome c. Journal of Physical Chemistry Letters, American Chemical Society, 2012, 3 (6), pp.698-702. ⟨10.1021/jz300070r⟩. ⟨hal-00875736⟩
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Fabien Chirot, Florent Calvo, Florian Albrieux, Jérôme Lemoine, Yury O. Tsybin, et al.. Statistical analysis of ion mobility spectrometry. I. unbiased and guided replica-exchange molecular dynamics. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2012, 23 (2), pp.386-396. ⟨10.1007/s13361-011-0281-y⟩. ⟨hal-00873906⟩
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Floriane Pailleux, Jérôme Lemoine, Francis Beaudry. Quantitative mass Spectrometry analysis reveals that deletion of the TRPV1 receptor in mice alters substance P and Neurokinin A expression in the central nervous system. Neurochemical Research, Springer Verlag, 2012, 37 (12), pp.2678-2685. ⟨10.1007/s11064-012-0856-4⟩. ⟨hal-00875718⟩
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Quentin Enjalbert, Amandine Racaud, Jérôme Lemoine, Sébastien Redon, Mehmet Menaf Ayhan, et al.. Optical properties of a visible push-pull chromophore covalently bound to carbohydrates: solution and gas-phase spectroscopy combined to theoretical Investigations. Journal of Physical Chemistry B, American Chemical Society, 2012, 116 (2), pp.841-851. ⟨10.1021/jp2099015⟩. ⟨hal-00875784⟩
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Marion Girod, Claire Brunet, Rodolphe Antoine, Jérôme Lemoine, Philippe Dugourd, et al.. Efficient structural characterization of poly(methacrylic acid) by activated-electron photodetachment dissociation.. Journal of The American Society for Mass Spectrometry, Springer Verlag (Germany), 2012, 23 (1), pp.7-11. ⟨10.1007/s13361-011-0279-5⟩. ⟨hal-00875927⟩
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Anne Piram, René Faure, Henry Chermette, Claire Bordes, Bernard Herbreteau, et al.. Photochemical behaviour of propranolol in environmental waters: the hydroxylated photoproducts. International Journal of Environmental Analytical Chemistry, Taylor & Francis, 2012, 92 (1), pp.96-109. ⟨10.1080/03067319.2010.497920⟩. ⟨hal-00876038⟩
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Fabien Chirot, Jérôme Lemoine, Luke Mac Aleese, Philippe Dugourd. Spectrométrie par mobilité ionique et agrégation des protéines. Spectra Analyse, PCI, 2012, 285, pp.64. ⟨hal-00963599⟩
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Bruno Bellina, Isabelle Compagnon, Luke Macaleese, Fabien Chirot, Jérôme Lemoine, et al.. Binding motifs of silver in prion octarepeat model peptides: a joint ion mobility, IR and UV spectroscopies, and theoretical approach. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2012, 14 (32), pp.11433-11440. ⟨10.1039/c2cp40924k⟩. ⟨hal-00873876⟩
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2011

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Quentin Enjalbert, Romain Simon, Arnaud Salvador, Rodolphe Antoine, Sébastien Redon, et al.. Photo-SRM: laser-induced dissociation improves detection selectivity of Selected Reaction Monitoring mode.. Rapid Communications in Mass Spectrometry, Wiley, 2011, 25 (22), pp.3375-0081. ⟨10.1002/rcm.5232⟩. ⟨hal-00875933⟩
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Marion Girod, Rodolphe Antoine, Jérôme Lemoine, Philippe Dugourd, Laurence Charles. End-group characterization of poly(styrene sulfonate sodium salt) by activated electron photo-detachment dissociation.. Rapid Communications in Mass Spectrometry, Wiley, 2011, 25 (21), pp.3259-3266. ⟨10.1002/rcm.5228⟩. ⟨hal-00875937⟩
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Julien de Winter, Vincent Lemaur, Renaud Ballivian, Fabien Chirot, Olivier Coulembier, et al.. Size dependence of the folding of multiply charged sodium cationized polylactides revealed by ion mobility mass spectrometry and molecular modelling. Chemistry - A European Journal, Wiley-VCH Verlag, 2011, 17 (35), pp.9738-9745. ⟨10.1002/chem.201100383⟩. ⟨hal-00875409⟩
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Florian Albrieux, Hisham Ben Hamidane, Florent Calvo, Fabien Chirot, Yury O. Tsybin, et al.. Structural preferences of gas-phase M2TMP monomers upon sequence variations. Journal of Physical Chemistry A, American Chemical Society, 2011, 115 (18), pp.4711-4718. ⟨10.1021/jp110732h⟩. ⟨hal-00875402⟩
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Francis Canon, Renaud Ballivian, Fabien Chirot, Rodolphe Antoine, Pascale Sarni-Manchado, et al.. Folding of a salivary intrinsically disordered protein upon binding to tannins. Journal of the American Chemical Society, American Chemical Society, 2011, 133 (20), pp.7847-7852. ⟨10.1021/ja200534f⟩. ⟨hal-00875405⟩
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Sébastien Zamith, Pierre Labastie, Fabien Chirot, Jean-Marc l'Hermite. Erratum: "Two step melting of Na41+" [J. Chem. Phys. 133, 154501 (2010)]. Journal of Chemical Physics, American Institute of Physics, 2011, 134 (12), pp.129902. ⟨10.1063/1.3562377⟩. ⟨hal-00580742⟩
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