Publications

Publications of 2023

098 Cancellation of dipole moment of models of asphaltene aggregates as a mean for their dispersion in toluene and THF calculated using molecular dynamics – Villegas, O.;  Vallverdu, G. S.;  Bouyssiere, B.;  Acevedo, Ś.;  Castillo, J.; Baraille, I –Fuel, 2023, DOI: 10.1016/j.talanta.2022.123799

097 Selective characterization of petroporphyrins in shipping fuels and their corresponding emissions using electron-transfer matrix-assisted laser desorption/ionization Fourier transform ion cyclotron resonance mass spectrometry – Sueur, M.;  Rüger, C. P.;  Maillard, J. F.;  Lavanant, H.;  Zimmermann, R.; Afonso, C.-Fuels, 2023, DOI: https://doi.org/10.1016/j.fuel.2022.126283

096 Ultrafine Particles Issued from Gasoline-Fuels and Biofuel Surrogates Combustion: A Comparative Study of the Physicochemical and In Vitro Toxicological Effects. – Juárez-Facio, A. T.;  Rogez-Florent, T.;  Méausoone, C.;  Castilla, C.;  Mignot, M.;  Devouge-Boyer, C.;  Lavanant, H.;  Afonso, C.;  Morin, C.;  Merlet-Machour, N.;  Chevalier,   L.;  Ouf, F.-X.;  Corbière, C.;  Yon, J.;  Vaugeois, J.-M.; Monteil, C. –Toxics, 2023

095 Asphaltenes, subfractions A1 and A2 aggregation and adsorption onto RH-SiO2 nanoparticles: Solvent effect on the aggregate sizear. – Castillo, J.;  Gonzalez, G.;  Bouyssiere, B.; Vargas, V., –Fuels, 2023, DOI: doi.org/10.1016/j.fuel.2022.125635.

Publications of 2022

094 Characterization of Crude Oil Molecules Adsorbed onto Carbonate Rock Surface Using LDI FT-ICR MS. – Terra, N.;  Ligiero, L. M.;  Molinier, V.;  Giusti, P.;  Agenet, N.;  Loriau, M.;  Hubert-Roux, M.;  Afonso, C.; Rodgers, R. P. –Energy & Fuels, , 2022, DOI: 10.1021/acs.energyfuels.2c00840

093 Addressing Thermal Behavior and Molecular Architecture of Asphaltenes by a Thermal-Optical Carbon Analyzer Coupled to High-Resolution Mass Spectrometry. – Rüger, C. P.;  Neumann, A.;  Kösling, P.;  Vesga Martínez, S. J.;  Chacón-Patiño, M. L.;  Rodgers, R. P.; Zimmermann, R. –Energy & Fuels, , 2022, DOI: 10.1021/acs.energyfuels.2c02122

092 Molecular analysis of nitrogen-containing compounds in vacuum gas oils hydrodenitrogenation by (ESI+/-)-FTICR-MS. – Mikhaylova, P.;  de Oliveira, L. P.;  Merdrignac, I.;  Berlioz-Barbier, A.;  Nemri, M.;  Giusti, P.; Pirngruber, G. D. –ACS Omega, 2022, DOI: 10.1016/j.fuel.2022.124302

091 Arsenic Analysis in the Petroleum Industry: A Review – Mere, A.;  Enrico, M.;  Zhou, H.;  Tessier, E.; Bouyssiere, B. –ACS Omega, 2022, DOI: 10.1021/acsomega.2c03708

090 Novel field-portable high-pressure adsorbent tube sampler prototype for the direct in situ preconcentration of trace compounds in gases at their working pressures: application to biomethane. – Lecharlier, A.;  Carrier, H.;  Bouyssiere, B.;  Caumette, G.;  Chiquet, P.; Le Hecho, I., –RSC Adv, 2022, DOI: doi.org/10.1039/d2ra00601d

089 Molecular Characterization of Formulated Lubricants and Additive Packages Using Kendrick Mass Defect Determined by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry – Lacroix-Andrivet, O.;  Moualdi, S.;  Hubert-Roux, M.;  Loutelier Bourhis, C.;  Mendes Siqueira, A. L.; Afonso, C –JASMS, 2022, DOI: 10.1021/jasms.2c00050

088 Structure–Reactivity Relationships for Petroleum Asphaltenes – Gray, M. R.;  Chacón-Patiño, M. L.; Rodgers, R. P. –Energy & Fuels, 2022, DOI: 10.1021/acs.energyfuels.2c00486

087 Evidence of selective asphaltene subfraction adsorption on SiO2 nanoparticles studied by UV-vis absorbance and fluorescence spectroscopy – Castillo, J.;  Vargas, V.;  Gonzalez, G.;  Ruiz, W.; Bouyssiere, B.-Journal of Dispersion Science and Technology, 2022, DOI: doi.org/10.1080/01932691.2020.1845956

086 Analysis of mixed plastic pyrolysis oil by comprehensive two-dimensional gas chromatography coupled with low-and high-resolution time-of-flight mass spectrometry with the support of soft ionization – Marco Beccaria, Marco Piparo, Yun Zou, Pierre-Hugues Stefanuto, Giorgia Purcaro, Anna Luiza Mendes Siqueira, Adrien Maniquet, Pierre Giusti, Jean-François Focant –Talanta, 2022, DOI: 10.1016/j.talanta.2022.123799

085 Contribution of atmospheric pressure chemical ionization mass spectrometry for the characterization of bio-oils from lignocellulosic biomass: Comparison with electrospray ionization and atmospheric pressure photoionization – Charlotte Mase, Marie Hubert-Roux, Carlos Afonso, Pierre Giusti –Journal of Analytical and Applied Pyrolysis, 2022, DOI: http://dx.doi.org/10.2139/ssrn.4178941

084 Prediction of Structures of Compounds Encountered in Complex Organic Matter with Highly Flexible Alkyl Chains Using Ion Mobility-Mass Spectrometry – Johann Le Maître, Julien F Maillard, Marie Hubert-Roux, Carlos Afonso, Pierre Giusti –Journal of the American Society for Mass Spectrometry, 2022, DOI: https://doi.org/10.1021/jasms.2c00106

083 Fractionation by flash chromatography and molecular characterization of bio-oil by ultra-high-resolution mass spectrometry and NMR spectroscopy – Jasmine Hertzog, Carole Garnier, Charlotte Mase, Sandra Mariette, Olivier Serve, Marie Hubert-Roux, Carlos Afonso, Pierre Giusti, Caroline Barrère-Mangote –Journal of Analytical and Applied Pyrolysis, 2022, DOI: http://dx.doi.org/10.2139/ssrn.4093040

082 Molecular analysis of nitrogen-containing compounds in vacuum gas oils hydrodenitrogenation by (ESI+/-)-FTICR-MS – Polina Mikhaylova, Luis P de Oliveira, Isabelle Merdrignac, Alexandra Berlioz-Barbier, Marouan Nemri, Pierre Giusti, Gerhard D Pirngruber –Fuels, 2022, DOI: 10.1021/acs.energyfuels.1c02173

081 Speciation and Semiquantification of Nitrogen-Containing Species in Complex Mixtures: Application to Plastic Pyrolysis Oil – Charlotte Mase, Julien Florent Maillard, Benoit Paupy, Marie Hubert-Roux, Carlos Afonso, Pierre Giusti –ACS Omega, 2022, DOI: https://doi.org/10.1021/acsomega.2c01114

080 Ion Mobility Mass Spectrometry for Structural Elucidation of Petroleum Compounds – Thamina Acter, Nizam Uddin, Eunji Cho, Eleanor Riches, Pierre Giusti, Carlos Afonso, Sunghwan Kim –TrAC Trends in Analytical Chemistry, 2022, DOI: 0.1016/j.trac.2022.116597

079 Diversity of chondritic organic matter probed by ultra-high resolution mass spectrometry – Boris Laurent, Julien Maillard, Carlos Afonso, Grégoire Danger, Pierre Giusti, Laurent Remusat –Geochemical Perspectives Letters, 2022, DOI: https://doi.org/10.7185/geochemlet.2224

078 Deeper investigation of oxygen-containing compounds in oleaginous feedstock (animal fat) by preparative column chromatography and comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry – Marco Beccaria, Yun Zou, Pierre-Hugues Stefanuto, Anna Luiza Mendes Siqueira, Adrien Maniquet, Marco Piparo, Pierre Giusti, Giorgia Purcaro, Jean-François Focant –Talanta, 2022, DOI: 10.1016/j.talanta.2021.123019

Publications of 2021

077 Characterization of Crude Oil Molecules Adsorbed onto Carbonate Rock Surface Using LDI FT-ICR MS – Nathaniel Terra, Leticia M Ligiero, Valérie Molinier, Pierre Giusti, Nicolas Agenet, Matthieu Loriau, Marie Hubert-Roux, Carlos Afonso, Ryan P Rodgers –Energy & Fuels, 2021, DOI: https://doi.org/10.1021/acs.energyfuels.2c00840

076 Tracking Changes in Asphaltene Nanoaggregate Size Distributions as a Function of Silver Complexation via Gel Permeation Chromatography Inductively Coupled Plasma Mass Spectrometry – Fang Zheng, Remi Moulian, Martha L. Chacón-Patiño, Ryan P. Rodgers, Caroline Barrère-Mangote, Murray R. Gray, Pierre Giusti, Quan Shi, and Brice Bouyssiere –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c02173

075 Distributed Properties of Asphaltene Nanoaggregates in Crude Oils: A Review – YuMurray R. Gray, Harvey W. Yarranton, Martha L. Chacón-Patiño, Ryan P. Rodgers, Brice Bouyssiere, and Pierre Giusti –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c01837

074 2021 Pioneers in Energy Research: Alan Marshall – Yunlong Zhang, Ryan P. Rodgers –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c03285

073 Petroleomics at the National High Magnetic Field Laboratory: A Pictorial History – Ryan P. Rodgers, Brice Bouyssiere, Carlos Afonso, Sebastien Tessier, Pierre Giusti –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c03604

072 Exploring Complex Mixtures by Cyclic Ion Mobility High-Resolution Mass spectrometry: Application Toward Petroleum – Christopher P. Rüger, Johann Le Maître, Julien Maillard, Eleanor Riches, Martin Palmer, Carlos Afonso, Pierre Giusti –Analytical Chemistry, 2021, DOI: 10.1021/acs.analchem.1c00222

071 Direct Insertion Analysis of Polymer-Modified Bitumen by Atmospheric Pressure Chemical Ionization Ultrahigh-Resolution Mass Spectrometry – Oscar Lacroix-Andrivet, Clément Castilla, Christopher Rüger, Marie Hubert-Roux, Anna Luiza Mendes Siqueira, Pierre Giusti, and Carlos Afonso –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.0c03827

070 SiO₂ Biogenic Nanoparticles and Asphaltenes: Interactions and Their consequences Investigated by QCR and GPC-ICP-HR-MS – Nelson Acevedo, Vicmary Vargas, Vincent Piscitelli, Aurélie Le Beulze, Brice Bouyssiere, Hervé Carrier, and Jimmy Castillo –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.0c04185

069 One-step synthesis of SiO2 α−Fe2O3 / Fe3O4 composite nanoparticles with magnetic properties from rice husks – Jimmy Castillo, Vicmary Vargas, Daniel Macero, Aurélie Le Beulze, Wladimir Ruiz, Brice Bouyssière –Physica B Condensed Matter, 2021, DOI: 10.1016/j.physb.2020.412799

068 Extraction of Crude Oil Endogenous Surfactants by an Optimum Three-Phase Microemulsion System: Relation between Interfacial Behavior and a Molecular Fingerprint Obtained by Ultrahigh-Resolution Mass Spectrometry – Guillaume Lemahieu, Johann Le Maître, Charlotte Mase, Julien Maillard, Jesús F. Ontiveros, Leticia Ligiero, Matthieu Loriau, Pierre Giusti, Carlos Afonso, Jean-Marie Aubry, and Valérie Molinier* –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c02524

067 Lessons Learned from a Decade-Long Assessment of Asphaltenes by Ultrahigh-Resolution Mass Spectrometry and Implications for Complex Mixture Analysis – Martha L. Chacón-Patiño, Murray R. Gray, Christopher Rüger, Donald F. Smith, Taylor J. Glattke, Sydney F. Niles, Anika Neumann, Chad R. Weisbrod, Andrew Yen, Amy M. McKenna, Pierre Giusti, Brice Bouyssiere, Caroline Barrère-Mangote, Harvey Yarranton, Christopher L. Hendrickson, Alan G. Marshall, and Ryan P. Rodgers –Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c02107

066 Deeper investigation of oxygen-containing compounds in oleaginous feedstock (animal fat) by preparative column chromatography and comprehensive two-dimensional gas chromatography coupled with high-resolution time-of-flight mass spectrometry – Marco Beccaria, Yun Zou, Pierre-Hugues Stefanuto, Anna Luiza Mendes Siqueira, Adrien Maniquet, Marco Piparo, Pierre Giusti, Giorgia Purcaro, Jean-François Focant – Talanta, 2021, DOI: 0.1002/jssc.202000907

065 Advanced mono- and multi-dimensional gas chromatography–mass spectrometry techniques for oxygen-containing compound characterization in biomass and biofuel samples – Marco Beccaria, Anna Luiza Mendes Siqueira, Adrien Maniquet, Pierre Giusti, Marco Piparo, Pierre-Hugues Stefanuto, Jean-François Focant – Journal of Separation Science, 2021, DOI: 10.1016/j.talanta.2021.123019

064 Molecular Characterization of Aged Bitumen with Selective and Nonselective Ionization Methods by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. 2. Statistical Approach on Multiple-Origin Samples – Oscar Lacroix-Andrivet, Julien Maillard, Anna Luiza Mendes Siqueira, Marie Hubert-Roux, Corinne Loutelier-Bourhis, and Carlos Afonso – Energy & Fuels, 2021, DOI: 0.1021/acs.energyfuels.1c02503

063 Molecular Characterization of Aged Bitumen with Selective and Nonselective Ionization Methods by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry. 1. Multiple Pressure Aging Vessel Aging Series – Oscar Lacroix-Andrivet, Anna Luiza Mendes Siqueira, Marie Hubert-Roux, Corinne Loutelier-Bourhis, and Carlos Afonso – Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c02502

062 Molecular Characterization of a Mixed Plastic Pyrolysis Oil from Municipal Wastes by Direct Infusion Fourier Transform Ion Cyclotron Resonance Mass Spectrometry– Charlotte Mase, Julien F. Maillard, Benoit Paupy, Mathilde Farenc, Cindy Adam, Marie Hubert-Roux, Carlos Afonso, Pierre Giusti – Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c01678

061 Study of Biocrudes Obtained via Hydrothermal Liquefaction (HTL) of Wild Alga Consortium under Different Conditions– Caroline Barrère-Mangote, Anne Roubaud, Brice Bouyssière, Julien Maillard, Jasmine Hertzog, Johann Le Maître, Marie Hubert-Roux, Jean-Francois Sassi, Carlos Afonso, Pierre Giusti – Processes, 2021, 9 (9), pp. 1494, DOI: 10.3390/pr9091494

060 Characterization of Heavy Products from Lignocellulosic Biomass Pyrolysis by Chromatography and Fourier Transform Mass Spectrometry: A Review– Jasmine Hertzog, Charlotte Mase, Marie Hubert-Roux, Carlos Afonso, Pierre Giusti, Caroline Barrère-Mangote – Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c02098

059 Reactive Desorption Electrospray Ionization Mass Spectrometry To Determine Intrinsic Degradability of Poly(lactic-co-glycolic acid) Chains– Thierry NJ Fouquet, Jean-Arthur Amalian, Nathan Aniel, Isaure Carvin-Sergent, Sébastien Issa, Salomé Poyer, Delphine Crozet, Pierre Giusti, Didier Gigmes, Thomas Trimaille, Laurence Charles – Analytical Chemistry, 2021, DOI: 10.1021/acs.analchem.1c02280

058 Comprehensive chemical description of pyrolysis chars from low-density polyethylene (LDPE) by thermal analysis hyphenated to different mass spectrometric approaches– Lukas Friederici, Eric Schneider, Gaëtan Burnens, Thorsten Streibel, Pierre Giusti, Christopher Paul Rüger, Ralf Zimmermann – Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c01994

057 Advances and Challenges in the Molecular Characterization of Petroporphyrins – Amy M McKenna, Martha L Chacón-Patiño, Germain Salvato Vallverdu, Brice Bouyssiere, Pierre Giusti, Carlos Afonso, Quan Shi, Marianny Y Combariza – Energy & Fuels, 2021, DOI: 10.1021/acs.energyfuels.1c02002

056 Effect of the Ionization Source on the Targeted Analysis of Nickel and Vanadyl Porphyrins in Crude Oil – Juan S Ramírez-Pradilla, Cristian Blanco-Tirado, Marie Hubert-Roux, Pierre Giusti, Carlos Afonso, Marianny Y Combariza – Energy & Fuels, 2021, 146 (1), pp.4161-4171, DOI: 10.1039/d1an00140j

055 Structural analysis of petroporphyrins from asphaltene by trapped ion mobility coupled with Fourier transform ion cyclotron resonance mass spectrometry– Julien F Maillard, Johann Le Maître, Christopher P Rüger, Mark Ridgeway, Christopher J Thompson, Benoit Paupy, Marie Hubert-Roux, Melvin Park, Carlos Afonso, Pierre Giusti – The Analyst, 2021, 146 (1), pp.4161-4171, DOI: 10.1039/d1an00140j

054 Advanced mono- and multi-dimensional gas chromatography–mass spectrometry techniques for oxygen-containing compound characterization in biomass and biofuel samples – Marco Beccaria, Anna Luiza Mendes Siqueira, Adrien Maniquet, Pierre Giusti, Marco Piparo, Pierre‐Hugues Stefanuto, Jean‐François Focant – Journal of Separation Sciences, 2021, 44 (1), pp.115-134, DOI: 10.1002/jssc.202000907

053 Cyclic Ion Mobility Spectrometry Coupled to High-Resolution Time-of-Flight Mass Spectrometry Equipped with Atmospheric Solid Analysis Probe for the Molecular Characterization of Combustion Particulate Matter – Christopher P. Rüger, Johann Le Maître, Eleanor Riches, Martin Palmer, Jürgen Orasche, Olli Sippula, Jorma Jokiniemi, Carlos Afonso, Pierre Giusti, Ralf Zimmermann – JASMS, 2021, 32 (1), pp.206-217, DOI: 10.1021/jasms.0c00274

052 Aggregation of petroporphyrins and fragmentation of porphyrin ions: Characterized by TIMS-TOF MS and FT-ICR MS – Fang Zheng, Yanfen Zhang, Yahe Zhang, Yehua Han, Linzhou Zhang, Brice Bouyssiere, Quan Shi – Fuel, 2021, 289, pp.119889, DOI: 10.1016/j.fuel.2020.119889

Publications of 2020

050 Molecular Cartography of A1 and A2 Asphaltene Subfractions from Classical Molecular Dynamics Simulations – Orlando Villegas, Germain Salvato Vallverdu, Brice Bouyssiere, Sócrates Acevedo, Jimmy Castillo, Isabelle Baraille – Energy & Fuels, 2020, 34 (11), pp.13954-13965, DOI: 10.1021/acs.energyfuels.0c02744

049 Methods for Total and Speciation Analysis of Mercury in the Petroleum Industry – Maxime Enrico, Aurore Mere, Honggang Zhou, Matthieu Loriau, Emmanuel Tessier, Brice Bouyssiere – Energy & Fuels, 2020, 34 (11), pp.13307-13320, DOI: 10.1021/acs.energyfuels.0c02730

048 Understanding the Vanadium–Asphaltene Nanoaggregate Link with Silver Triflate Complexation and GPC ICP-MS Analysis – Remi Moulian, Fang Zheng, Germain Salvato Vallverdu, Caroline Barrere-Mangote, Quan Shi, Pierre Giusti, Brice Bouyssiere – Energy & Fuels, 2020, 34 (11), pp.13759-13766, DOI: 10.1021/acs.energyfuels.0c02505

047 Understanding Asphaltene Fraction Behavior through Combined Quartz Crystal Resonator Sensor, FT-ICR MS, GPC ICP HR-MS, and AFM Characterization. Part I: Extrography Fractionations – Nelson Acevedo, Remi Moulian, Martha L. Chacón-Patiño, Aurora Mejia, Sadia Radji, Jean-Luc Daridon, Caroline Barrère-Mangote, Pierre Giusti, Ryan P. Rodgers, Vincent Piscitelli, Jimmy Castillo, Hervé Carrier, Brice Bouyssiere – Energy & Fuels, 2020, 34 (11), pp.13903-13915, DOI: 10.1021/acs.energyfuels.0c02687

046 Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics – Fang Zheng, Quan Shi, Germain Salvato Vallverdu, Pierre Giusti, Brice Bouyssiere – Processes, 2020, 8 (11), pp.1504, DOI: 10.3390/pr8111504

045 Chemical Characterization Using Different Analytical Techniques to Understand Processes: The Case of the Paraffinic Base Oil Production Line – Rémi Moulian, Johann Le Maître, Hélène Leroy, Ryan Rodgers, Brice Bouyssiere, Carlos Afonso, Pierre Giusti, Caroline Barrère-Mangote – Processes, 2020, 8 (11), pp.1472, DOI: 10.3390/pr8111472

044 Characterization of Polyethylene Branching by Thermal Analysis-Photoionization Mass Spectrometry – Christoph Grimmer, Lukas Friederici, Thorsten Streibel, Ahmad Naim, Virginie Cirriez, Pierre Giusti, Carlos Afonso, Christopher P. Rüger, Ralf Zimmermann – JASMS, 2020, 31 (11), pp.2362–2369, DOI: 10.1021/jasms.0c00291

043 Speciation of Metals in Asphaltenes by High-Performance Thin-Layer Chromatography and Solid–Liquid Extraction Hyphenated with Elemental and Molecular Identification – Rémi Moulian, Martha Chacón-Patiño, Oscar Lacroix-Andrivet, Sandra Mounicou, Anna Luiza Mendes-Siqueira, Carlos Afonso, Ryan Rodgers, Pierre Giusti, Brice Bouyssiere, Caroline Barrère-Mangote – Energy and Fuels, 2020, 34 (10), pp.12449–12456, DOI: 10.1021/acs.energyfuels.0c02525

042 Careful Investigations of PTV Injection Parameters for the Analysis of Vacuum Gas Oil by High-Temperature Comprehensive GC×GC – Marco Piparo, Lucille Flamant, Gaelle Jousset, Pascal Cardinael, Pierre Giusti – Energy and Fuels, 2020, 34 (10), pp.12010–12017, DOI: 10.1021/acs.energyfuels.0c01314

041 Comparison of Silica and Cellulose Stationary Phases to Analyze Bitumen by High-Performance Thin-Layer Chromatography Coupled to Laser Desorption Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry – Oscar Lacroix-Andrivet, Marie Hubert-Roux, Anna Luiza Mendes-Siqueira, Yang Bai, Carlos Afonso – Energy and Fuels, 2020, 34 (8), pp.9296–9303, DOI: 10.1021/acs.energyfuels.0c00709

040 Structural Analysis of Neutral Nitrogen Compounds Refractory to the Hydrodenitrogenation Process of Heavy Oil Fractions by High-Resolution Tandem Mass Spectrometry and Ion Mobility–Mass Spectrometry – Johann Le Maître, Benoit Paupy, Marie Hubert-Roux, Sabrina Marceau, Christopher Rüger, Carlos Afonso, Pierre Giusti – Energy and Fuels, 2020, 34 (8), pp.9328–9338, DOI: 10.1021/acs.energyfuels.0c01160

039 Probing Aggregation Tendencies in Asphaltenes by Gel Permeation Chromatography. Part 2: Online Detection by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Inductively Coupled Plasma Mass Spectrometry – Jonathan C. Putman, Rémi Moulian, Donald F. Smith, Chad R. Weisbrod, Martha L. Chacón-Patiño, Yuri E. Corilo, Greg T. Blakney, Leah E. Rumancik, Caroline Barrère-Mangote, Ryan P. Rodgers, Pierre Giusti, Alan G. Marshall, Brice Bouyssiere – Energy and Fuels, 2020, 34 (9), pp.10915–10925, DOI: 10.1021/acs.energyfuels.0c02158

038 Probing Aggregation Tendencies in Asphaltenes by Gel Permeation Chromatography. Part 1: Online Inductively Coupled Plasma Mass Spectrometry and Offline Fourier Transform Ion Cyclotron Resonance Mass Spectrometry – Jonathan C. Putman, Rémi Moulian, Caroline Barrère-Mangote, Ryan P. Rodgers, Brice Bouyssiere, Pierre Giusti, Alan G. Marshall – Energy and Fuels, 2020, 34 (7), pp.8308–8315, DOI: 10.1021/acs.energyfuels.0c01522

037 Mass Spectrometry-Based Analytical Strategy for Comprehensive Molecular Characterization of Biodegradable Poly(lactic-co-glycolic Acid) Copolymers – Thierry N. J. Fouquet, Hélène Pizzala, Marion Rollet, Delphine Crozet, Pierre Giusti, Laurence Charles – JASMS, 2020, 31 (7), pp.1554–1562, DOI: 10.1021/jasms.0c00137

036 Paraffin-Inert Atmospheric Solid Analysis Probe: A Fast and Easy Approach to Characterize Extremely Air-Sensitive Organometallic Complexes by Mass Spectrometry – Ahmad Naim, Mathilde Farenc, M. Hubert-Roux, T. Chavagnan, V. Cirriez, A. Welle, A. Vantomme, Evgueni Kirillov, Jean-François Carpentier, Carlos Afonso, Pierre Giusti – Analytical Chemistry, 2020, 92 (4), pp.2922–2925, DOI: 10.1021/acs.analchem.9b04478

035 Quantitative multiplexed elemental (C, H, N and S) detection in complex mixtures using gas chromatography – Laura Freije-Carrelo, Javier García-Bellido, L. Alonso Sobrado, Mariella Moldovan, B. Bouyssiere, Pierre Giusti, Jorge Ruiz-Encinar – Chemical Communications, 2020, 56 (19), pp.2905-2908, DOI: 10.1039/c9cc09842a

Publications of 2019

033 Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior – H. Santos Silva, Alfarra A., Vallverdu G., Bégué D., B. Bouyssiere, I. Baraille – Petroleum Science, 2019, 16 (3), pp.669-684, DOI: 10.1007/s12182-019-0321-y

032 Future challenges and new approaches: General discussion – C. Afonso, Chaux C., Davies A.N., Delsuc M.-A., Fernandez Lima F., Gauchotte-Lindsay C., Giusti P., Goodacre R., Hawkes J.A., Hertkorn N., Jansen J.J., Kew W., Kuhn S., Lubben A., McGill D., Nilsson M., Parkinson J., Rodgers R.P., Rogers S., Schmitt-Kopplin P., Schoenmakers P.J., Shintu L., Soong R., Summerfield S., Surman A., Uhrín D., Van Der Hooft J.J.J. – Faraday Discussions, 2019, 218, pp.505-523, DOI: 10.1039/C9FD90046B-y

031 Data mining and visualisation: General discussion – C. Afonso, M.P. Barrow, Davies A.N., Delsuc M.-A., Ebbels T., Fernandez-Lima F., Gauchotte-Lindsay C., Giusti P., Goodacre R., Hertkorn N., Jansen J.J., Jones D., Kew W., Kuhn S., Le Guennec A., Lubben A., Parkinson J., Paša-Tolić L., Rogers S., Rudd T.R., Schoenmakers P.J., Sidebottom P., Summerfield S., Tinnevelt G.H., Trifirò G., Trygg J., Van Der Hooft J.J.J. – Faraday Discussions, 2019, 218, pp.354-371, DOI: 10.1039/C9FD90044F-y

030 Dealing with complexity: General discussion – C. Afonso, M.P. Barrow, N.G.A. Bell, A.N. Davies, D. Duca, C. Focsa, C. Gauchotte-Lindsay, P. Giusti, R. Godfrey, R. Goodacre, J.A. Hawkes, N. Hertkorn, J.J. Jansen, D. Jones, W. Kew, A. Le Guennec, A. Lubben, L. Paša-Tolić, R.P. Rodgers,C.P. Rüger, P. Schmitt-Kopplin, P.J. Schoenmakers, D. Sciarrone, S. Summerfield, D. Uhrín, F.H.M. Van Zelst – Faraday Discussions, 2019, 218, pp.138-156, DOI: 10.1039/C9FD90055A

029 Structural analysis of heavy oil fractions after hydrodenitrogenation by high-resolution tandem mass spectrometry and ion mobility spectrometry – J. Le Maître, M. Hubert-Roux, B. Paupy, S. Marceau,C.P. Rüger, C. Afonso, P. Giusti – Faraday Discussions, 2019, 218, pp.417-430, DOI: 10.1039/C8FD00239H

028 Comprehensive Petroporphyrin Identification in Crude Oils Using Highly Selective Electron Transfer Reactions in MALDI-FTICR-MS – J.S. Ramírez-Pradilla, C. Blanco-Tirado, M. Hubert-Roux, P. Giusti, C. Afonso, M.Y. Combariza – Energy and Fuels, 2019, 33 (5), pp.3899-3907, DOI: 10.1021/acs.energyfuels.8b04325

027 Structural Study of Analogues of Titan’s Haze by Trapped Ion Mobility Coupled with a Fourier Transform Ion Cyclotron Mass Spectrometer – C.P. Rüger, J. Maillard, J. Le Maître, M. Ridgeway, C.J. Thompson, I.  Schmitz-Afonso, T. Gautier, N. Carrasco,M. A. Park, P. Giusti, C. Afonso – JASMS, 2019, 30 (7), pp.1169-1173, DOI: 10.1007/s13361-019-02205-7

026 Speciation of metals in asphaltenes by high-performance thin-layer chromatography and laser ablation inductively coupled plasma-mass spectrometry – R. Moulian, S. Gutierrez Sama, C. Garnier, S. Mounicou, M. Enrico, X. Jaurand, R. Lobinski, P. Giusti, B. Bouyssiere, C. Barrère-Mangote – Energy and Fuels, 2019, 33 (7), pp.6060-6068, DOI: 10.1021/acs.energyfuels.9b00676

Publications of 2018

025 Analysis of Petroleum Products by Gel Permeation Chromatography Coupled Online with Inductively Coupled Plasma Mass Spectrometry and Offline with Fourrier Transform Ion Cyclotron Resonance Mass Spectrometry, – J. Putman, S. Gutierrez Sama, C. Barrère-Mangote, R; Rodgers, R. Lobinski, A. Marshall, B. Bouyssiere^,, P. Giusti – Energy and Fuels, 2018, 32 (12), pp.12198-12204, DOI: 10.1021/acs.energyfuels.8b02788

024 The impact of H-bonds and porphyrins on asphaltene aggregation as revealed by molecular dynamics simulation, – H. Santos Silva, A. Al Farra, G. Vallverdu, D; Begue, B. Bouyssiere^,, I. Baraille – Energy and Fuels, 2018, 32 (11), pp.11152-11164, DOI: 10.1021/acs.energyfuels.8b01901

023 18th International Conference on Petroleum Phase Behavior and Fouling, P. Giustí, B. Bouyssiere, H. Carrier, C. Afonso – Energy and Fuels, 2018, 32 (3), pp. 2641, DOI: 10.1021/acs.energyfuels.8b00610

022 Sensitivity of the Molecular Architecture of Asphaltenes to Aggregation Under Desalting Conditions: The Effect of the Temperature and Pressure, – H. Santos Silva, A. Alfarra, G. Vallverdu, D. Bégué, B. Bouyssiere, I. Baraille – Energy and Fuels, 2018, 32 (3), pp.2681-2692, DOI: 10.1021/acs.energyfuels.7b02728

021 Molecular Fingerprints and Speciation in Crude Oils revealed by Molecular and Elemental Mass Spectrometry, keystone between Petroleomics, Metalopetroleomics, and Petrointeractomics, – S. Gutiérrez Sama, M. Farenc, C. Barrère-Mangote, R. Lobinski, C. Afonso, B. Bouyssiere, P. Giusti – Energy and Fuels, 2018, 32 (4), pp.4593-4605, DOI: 10.1021/acs.energyfuels.7b03218

020 Recent trends in element speciation analysis of crude oils and heavy petroleum fractions – S. Gutierrez Sama, C. Barrère-Mangote, P. Giusti, B. Bouyssiere, R. Lobinski – TrAC Trends in Analytical Chemistry, 2018, 104, pp.69-76, – DOI: 10.1016/j.trac.2017.10.014

Publications of 2017

019 The role of metalloporphyrins on the physical-chemical properties of petroleum fluids – Hugo Santos Silva, Ana C.R. Sodero, Jean-Pierre Korb, Ahmad Alfarra, Pierre Giusti, Germain Vallverdu, Didier Bégué, Isabelle Baraille, Brice Bouyssiere – Fuel, 2017, 188, pp.374-381, DOI: 10.1016/j.fuel.2016.10.065

018 Size Distributions of Sulfur, Vanadium, and Nickel Compounds in Crude Oils, Residues, and Their Saturate, Aromatic, Resin, and Asphaltene Fractions Determined by Gel Permeation Chromatography Inductively Coupled Plasma High-Resolution Mass Spectrometry – German Gascon, Vicmary Vargas, Llinaber Feo, Olga Castellano, Jimmy Castillo, Pierre Giusti, Socrates Acevedo, Charles-Philippe Lienemann, Brice Bouyssiere – Energy and Fuels, 2017, 31(8), pp.7783-7788, DOI: 10.1021/acs.energyfuels.7b00527

017 Characterization of Crude Oil Interfacial Material Isolated by the Wet Silica Method. Part 1: Gel Permeation Chromatography Inductively Coupled Plasma High-Resolution Mass Spectrometry Analysis, – L.M. Ligiero, P. Bouriat, C. Dicharry, N. Passade-Boupat, P.M. Lalli, R.P. Rodgers, C. Barrère-Mangote, P. Giusti, B. Bouyssiere – Energy and Fuels, 2017, 31 (2), pp.1065-1071, DOI: 10.1021/acs.energyfuels.6b02899

016 Characterization of Crude Oil Interfacial Material Isolated by the Wet Silica Method. Part 2: Dilatational and Shear Interfacial Properties – L.M. Ligiero, C. Dicharry, N. Passade-Boupat, B. Bouyssiere, P.M. Lalli, R.P. Rodgers, C. Barrére-Mangote, P. Giusti, P. Bouriat – Energy and Fuels, 2017, 31 (2), pp.1072-1081, DOI: 10.1021/acs.energyfuels.6b02897

015 Characterization of polyolefin pyrolysis species produced under ambient conditions by Fourier transform ion cyclotron resonance mass spectrometry  and ion mobility – mass spectrometry – M. Farenc, M. Witt, K. Craven, C. Barrère-Mangote, C. Afonso, P. Giusti – JASMS, 2017, 28, pp.507-514, DOI: 10.1007/s13361-016-1572-0

014 Effective ion mobility peak width as an indicator of isomeric species distribution in complex mixtures using ion mobility – mass spectrometry – M. Farenc, B. Paupy, S. Marceau, E. Riches, C. Afonso, P. Giusti – JASMS, 2017, 28, pp.2476-2482, DOI: 10.1007/s13361-017-1749-1

013 The role of metalloporphyrins on the physical- chemical properties of petroleum fluids – H. Santos Silva, A. C. R. Sodero, J.-P Korb, A. Alfarra, P. Giusti, G. Vallverdu, D. Bégué, I. Baraille, B. Bouyssiere – Fuel, 2017, 188, pp.274-381, DOI: 10.1016/j.fuel.2016.10.065

012 Study of the Size Distribution of Sulfur, Vanadium, and Nickel Compounds in Crude Oils, Residues and their SARA fractions by Gel Permeation Chromatography Inductively Coupled Plasma High Resolution Mass Spectrometry – G. Gascon, V. Vargas, L. Feo, O. Castellano, J. Castillo, P. Giusti, C.-P. Lienemann, B. Bouyssiere – Energy and Fuels, 2017, 31 (8), pp.7783-7788, DOI: 10.1021/acs.energyfuels.7b00527

Older publications

011 Comparison of atmospheric pressure ionization for the analysis of heavy petroleum fractions with ion mobility – mass spectrometry – M. Farenc, Y. E. Corilo, P. M. Lalli, E. Riches, R. P. Rodgers, C. Afonso, P. Giusti – Energy and Fuels, 2016, 30 (11), pp.8896–8903, DOI: 10.1021/acs.energyfuels.6b01191

010 Study of the aggregation of metal-complexes with asphaltenes using Gel Permeation Chromatography Inductively Coupled Plasma High Resolution Mass Spectrometry – S. Gutierrez Sama, A. Desprez, G. Krier, C.-P. Lienemann, J. Barbier, R. Lobinski, C. Barrère-Mangote, P. Giusti, B. Bouyssiere – Energy and Fuels, 2016, 30 (9), pp.6907-6912, DOI: 10.1021/acs.energyfuels.6b00559

009 Molecular Dynamics Study of Nanoaggregation in Asphaltene Mixtures: Effects of the N, O, and S Heteroatoms H. Santos Silva, A. C. R. Sodero, B. Bouyssiere, H. Carrier, J.-P. Korb, A. Alfarra, G. Vallverdu, D. Bégué, I. Baraille – Energy and Fuels, 2016, 30 (7), pp.5656-5664, DOI: 10.1021/acs.energyfuels.6b01170

008 Investigation of the Effect of Sulfur Heteroatom on Asphaltene Aggregation – C. R. Sodero, H. Santos Silva, P. Guevara Level, B. Bouyssiere, J.-P. Korb, H. Carrier, A. Alfarra, D. Bégué, I. Baraille – Energy and Fuels, 2016, 30 (6), pp. 4758-4766, DOI: 10.1021/acs.energyfuels.6b00757

007 Petroleomics by Direct Analysis in Real Time-Mass Spectrometry – W. Romao, L. V. Tose, B. G. Vaz, S. G. Sama, R. Lobinski, P. Giusti, H. Carrier, B. Bouyssiere – JASMS, 2016, 27 (1), pp.182-185, DOI: 10.1007/s13361-015-1266-z

006 Comparison of cryogenic and differential flow (forward and reverse fill/flush) modulators and applications to the analysis of heavy petroleum cuts by high-temperature comprehensive gas chromatography – Chloé Duhamel, Pascal Cardinael, Valérie Peulon-Agasse, Roger Firor, Laurent Pascaud, Gaelle Semard-Jousset, Pierre Giusti, Vincent Livadiris – Journal of Chromatography A, 2015, 1387(27), pp.95-103, DOI: 10.1016/j.chroma.2015.01.095

005 Atmospheric solid analysis probe mass spectrometry vs electrospray tandem mass spectrometry of polydimethylsiloxanes in positive and negative ionization modes – T. Fouquet, C. Barrère-Mangote, M. Farenc, C. Afonso, P. Giusti – Rapid Communication in Mass Spectrometry, 2015, 29 (10), pp.982-986, DOI: 10.1002/rcm.7182

004 Rapid analysis of polyester and polyethylene blends by ion mobility-mass spectrometry – C. Barrère, W. Selmi, M. Hubert-Roux, T. Coupin, B. Assumani, C. Afonso, P. Giusti – Polymer Chemistry, 2014, 5 (11), pp.3576-3582, DOI: 10.1039/C4PY00164H

003 Study of the size distribution of sulfur, vanadium and nickel compounds in four crude oils and their distillation cuts by Gel Permeation Chromatography Inductively Coupled Plasma High Resolution Mass Spectrometry – A. Desprez, B. Bouyssiere, C. Arnaudguilhem, G. Krier, L. Vernex-Loset, P. Giusti – Energy and Fuels, 2014, 28 (6), pp.3730-3737, DOI: 10.1021/ef500571f

002 Identification of ion series using ion mobility mass spectrometry: The example of alkyl-benzothiophene and alkyl-dibenzothiophene ions in diesel fuels – F. Maire, K. Neeson, R. Denny, M McCullagh, C Lange, C. Afonso, P. Giusti – Analytical Chemistry, 2013, 85 (11), pp.5530-5534, DOI: 10.1021/ac400731d

001 Atmospheric solid analysis probe-ion mobility mass spectrometry of polypropylene – C. Barrère, F. Maire, C. Afonso, P. Giusti – Analytical Chemistry, 2012, 84 (21), pp. 9349-9354, DOI: 10.1021/ac302109q