Malard F., Jacquet E., Nhiri N., Sizun C., Chabrier A., Messaoudi S., Dejeu J., Betzi S., Zhang X., Thureau A., Lescop E.
Revisiting the Molecular Interactions between the Tumor Protein TCTP and the Drugs Sertraline/Thioridazine
ChemMedChem #1 17 e202100528
doi : 10.1002/cmdc.202100528

Rathahao-Paris Estelle, Alves Sandra, Paris Alain
High-Throughput Metabolomics Using Flow Injection Analysis and Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
# 9-23
doi : 10.1007/978-1-0716-0864-7_2

Khodjoyan Silva, Remadna Edwyn, Dossmann Héloïse, Lesage Denis, Gontard Geoffrey, Forté Jérémy, Hoffmeister Henrik, Basu Uttara, Ott Ingo, Spence Philip, Waller Zoë A. E., Salmain Michèle, Bertrand Benoît
[(C C)Au(N N)]+ Complexes as a New Family of Anticancer Candidates: Synthesis, Characterization and Exploration of the Antiproliferative Properties
Chemistry – A European Journal #63 27 15773-157852021/11/11
doi : 10.1002/chem.202102751

Gatineau David, Dossmann Héloïse, Clavier Hervé, Memboeuf Antony, Drahos László, Gimbert Yves, Lesage Denis
Ligand effects in gold-carbonyl complexes: Evaluation of the bond dissociation energies using blackbody infrared radiative dissociation
# 463 116545
doi : 10.1016/j.ijms.2021.116545

Chalvin Camille, Drevensek Stéphanie, Gilard Françoise, Mauve Caroline, Chollet Christel, Morin Halima, Nicol Edith, Héripré Eva, Kriegshauser Lucie, Gakière Bertrand, Dron Michel, Bendahmane Abdelhafid, Boualem Adnane
Sclareol and linalyl acetate are produced by glandular trichomes through the MEP pathway
#1 8 206
doi : 10.1038/s41438-021-00640-w

Nicol Edith, Xu Yao, Varga Zsuzsanna, Kinani Said, Bouchonnet Stéphane, Lavielle Marc
SPIX: A new software package to reveal chemical reactions at trace amounts in very complex mixtures from high-resolution mass spectra dataset
Rapid Communications in Mass Spectrometry #6 35 e90152021/03/30
doi : 10.1002/rcm.9015

Gonçalves Nuno P. F, Varga Zsuzsanna, Nicol Edith, Calza Paola, Bouchonnet Stéphane
Comparison of Advanced Oxidation Processes for the Degradation of Maprotiline in Water—Kinetics, Degradation Products and Potential Ecotoxicity
Catalysts #2 11
doi : 10.3390/catal11020240

Abdelmouleh Marwa, Lalande Mathieu, Nicol Edith, Frison Gilles, van der Rest Guillaume, Poully Jean-Christophe
Chemical Processes Involving 18-Crown-6-Ether in Activated Noncovalent Complexes with Protonated Peptides
ChemPhysChem #12 22 1243-12502021/06/16
doi : 10.1002/cphc.202100075

Bacle A, Buslaev P, Garcia-Fandino R, Favela-Rosales F, Ferreira TM, Fuchs PFJ, Gushchin I, Javanainen M, Kiirikki AM, Madsen JJ, Melcr J, Rodriguez PM, Miettinen MS, Ollila OHS, Papadopoulos CG, Peon A, Piggot TJ, Pineiro A, Virtanen SI
Inverse Conformational Selection in Lipid-Protein Binding
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY #34 143 13701-13709
doi : 10.1021/jacs.1c05549

van Gunsteren WF, Daura X, Fuchs PFJ, Hansen N, Horta BAC, Hunenberger PH, Mark AE, Pechlaner M, Riniker S, Oostenbrink C
On the Effect of the Various Assumptions and Approximations used in Molecular Simulations on the Properties of Bio-Molecular Systems: Overview and Perspective on Issues
CHEMPHYSCHEM #3 22 264-282
doi : 10.1002/cphc.202000968

Abergel D, Buntkowsky G, Ivanov K, Madhu PK
Editorial: The Second Intercontinental NMR Conference ICONS2021
APPLIED MAGNETIC RESONANCE #5 52 565-569
doi : 10.1007/s00723-021-01320-7

Kaminska M, Bruyat P, Malgorn C, Doladilhe M, Cassar-Lajeunesse E, Gaillard CF, De Souza M, Beau F, Thai R, Correia I, Galat A, Georgiadis D, Lequin O, Dive V, Bregant S, Devel L
Ligand-Directed Modification of Active Matrix Metalloproteases: Activity-based Probes with no Photolabile Group
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION #33 60 18272-18279
doi : 10.1002/anie.202106117

Karoyan P, Vieillard V, Gomez-Morales L, Odile E, Guihot A, Luyt CE, Denis A, Grondin P, Lequin O
Human ACE2 peptide-mimics block SARS-CoV-2 pulmonary cells infection
COMMUNICATIONS BIOLOGY #1 4
doi : 10.1038/s42003-021-01736-8

Imbert L, Lenoir-Capello R, Crublet E, Vallet A, Awad R, Ayala I, Juillan-Binard C, Mayerhofer H, Kerfah R, Gans P, Miclet E, Boisbouvier J
In Vitro Production of Perdeuterated Proteins in H2O for Biomolecular NMR Studies
STRUCTURAL GENOMICS, 2 EDITION: General Applications # 2199 127-149
doi : 10.1007/978-1-0716-0892-0_8

Bourafai-Aziez A, Benabderrahmane M, Paysant H, Weiswald LB, Poulain L, Carlier L, Ravault D, Jouanne M, Coadou G, Oulyadi H, Voisin-Chiret AS, Oliveira SJSD, Sebban M
Drug Repurposing: Deferasirox Inhibits the Anti-Apoptotic Activity of Mcl-1
DRUG DESIGN DEVELOPMENT AND THERAPY # 15 5035-5059
doi : 10.2147/DDDT.S323077

Smith AA, Bolik-Coulon N, Ernst M, Meier BH, Ferrage F
How wide is the window opened by high-resolution relaxometry on the internal dynamics of proteins in solution?
JOURNAL OF BIOMOLECULAR NMR #2-3 75 119-131
doi : 10.1007/s10858-021-00361-1

Couty M, Dusaud M, Miro-Padovani M, Zhang LH, Zadigue P, Zargarian L, Lequin O, de la Taille A, Delbe J, Hamma-Kourbali Y, Amiche M
Antitumor Activity and Mechanism of Action of Hormonotoxin, an LHRH Analog Conjugated to Dermaseptin-B2, a Multifunctional Antimicrobial Peptide
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES #21 22
doi : 10.3390/ijms222111303

Buntkowsky G, Abergel D, Madhu PK
The Third Konstantin Ivanov Intercontinental Magnetic Resonance Conference on Methods and Applications ICONS-3
APPLIED MAGNETIC RESONANCE #11 52 1537-1541
doi : 10.1007/s00723-021-01441-z

El Hajj F, Fuchs PFJ, Urbach W, Nassereddine M, Hamieh S, Taulier N
Molecular Study of Ultrasound-Triggered Release of Fluorescein from Liposomes
LANGMUIR #13 37 3868-3881
doi : 10.1021/acs.langmuir.0c03444

Kiryutin AS, Zhukov IV, Ferrage F, Bodenhausen G, Yurkovskaya AV, Ivanov KL
Sequential assignment of NMR spectra of peptides at natural isotopic abundance with zero- and ultra-low-field total correlation spectroscopy (ZULF-TOCSY)
PHYSICAL CHEMISTRY CHEMICAL PHYSICS #16 23 9715-9720
doi : 10.1039/d0cp06337a

Bodenhausen G
Early Days of Two-Dimensional Ion Cyclotron Resonance
MOLECULES #11 26
doi : 10.3390/molecules26113381

Wang ZQ, Pisano S, Ghini V, Kaderavek P, Zachrdla M, Pelupessy P, Kazmierczak M, Marquardsen T, Tyburn JM, Bouvignies G, Parigi G, Luchinat C, Ferrage F
Detection of Metabolite-Protein Interactions in Complex Biological Samples by High-Resolution Relaxometry: Toward Interactomics by NMR
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY #25 143 9393-9404
doi : 10.1021/jacs.1c01388

Chen Jielin, Cheng Mingpan, Salgado Gilmar F, Stadlbauer Petr, Zhang Xiaobo, Amrane Samir, Guédin Aurore, He Fangni, Šponer Jiří, Ju Huangxian, Mergny Jean-Louis, Zhou Jun
The beginning and the end: flanking nucleotides induce a parallel G-quadruplex topology
Nucleic Acids Research #16 49 9548-9559
doi : nar/article/49/16/9548/6348194

Daskalov Asen, Martinez Denis, Coustou Virginie, El Mammeri Nadia, Berbon Mélanie, Andreas Loren B., Bardiaux Benjamin, Stanek Jan, Noubhani Abdelmajid, Kauffmann Brice, Wall Joseph S., Pintacuda Guido, Saupe Sven J., Habenstein Birgit, Loquet Antoine
Structural and molecular basis of cross-seeding barriers in amyloids
Proceedings of the National Academy of Sciences #1 118 e2014085118
doi : doi/10.1073/pnas.2014085118

Haidar Rana, Yacoub Amira, Vallance Jessica, Compant Stéphane, Antonielli Livio, Saad Ahmad, Habenstein Birgit, Kauffmann Brice, Grélard Axelle, Loquet Antoine, Attard Eléonore, Guyoneaud Rémy, Rey Patrice
Bacteria associated with wood tissues of Esca-diseased grapevines: functional diversity and synergy with Fomitiporia mediterranea to degrade wood components
Environmental Microbiology #10 23 6104-6121
doi : 10.1111/1462-2920.15676

Lends Alons, Berbon Mélanie, Habenstein Birgit, Nishiyama Yusuke, Loquet Antoine
Protein resonance assignment by solid-state NMR based on 1H-detected 13C double-quantum spectroscopy at fast MAS
Journal of Biomolecular NMR #10 75 417-427
doi : 10.1007/s10858-021-00386-6

Carvalho JP, Pell AJ
Frequency-swept adiabatic pulses for broadband solid-state MAS NMR
JOURNAL OF MAGNETIC RESONANCE # 324
doi : 10.1016/j.jmr.2020.106911

Pell AJ
A method to calculate the NMR spectra of paramagnetic species using thermalized electronic relaxation
JOURNAL OF MAGNETIC RESONANCE # 326
doi : 10.1016/j.jmr.2021.106939

Stamou C, Papawassiliou W, Carvalho JP, Konidaris KF, Bekiari V, Dechambenoit P, Pell AJ, Perlepes SP
Indium(III) in the "Periodic Table" of Di(2-pyridyl) Ketone: An Unprecedented Transformation of the Ligand and Solid-State In-115 NMR Spectroscopy as a Valuable Structural Tool
INORGANIC CHEMISTRY #7 60 4829-4840
doi : 10.1021/acs.inorgchem.0c03725

Stern Q, Cousin SF, Mentink-Vigier F, Pinon AC, Elliott SJ, Cala O, Jannin S
Direct observation of hyperpolarization breaking through the spin diffusion barrier
SCIENCE ADVANCES #18 7
doi : 10.1126/sciadv.abf5735

Elliott SJ, Cala O, Stern Q, Cousin SF, Eshchenko D, Melzi R, Kempf JG, Jannin S
Pulse sequence and sample formulation optimization for dipolar order mediated H-1 -> C-13 cross-polarization
PHYSICAL CHEMISTRY CHEMICAL PHYSICS #15 23 9457-9465
doi : 10.1039/d1cp00429h

Yang JQ, Pell AJ, Hedin N, Lyubartsev A
Computational insight into the hydrogenation of CO2 and carbamic acids to methanol by a ruthenium(II)-based catalyst: The role of amino (NH) ligand group
MOLECULAR CATALYSIS # 506
doi : 10.1016/j.mcat.2021.111544

Schubeis T, Stanek J, Pintacuda G
Backbone assignment of crystalline E. coli maltose binding protein
BIOMOLECULAR NMR ASSIGNMENTS #2 15 317-322
doi : 10.1007/s12104-021-10023-w

Lu XN, Baker MA, Anjum DH, Basina G, Hinder SJ, Papawassiliou W, Pell AJ, Karagianni M, Papavassiliou G, Shetty D, Gaber D, Gaber S, Al Wahedi Y, Polychronopoulou K
Ni2P Nanoparticles Embedded in Mesoporous SiO2 for Catalytic Hydrogenation of SO2 to Elemental S
ACS APPLIED NANO MATERIALS #6 4 5665-5676
doi : 10.1021/acsanm.0c02853

Lu XN, Baker MA, Anjum DH, Papawassiliou W, Pell AJ, Fardis M, Papavassiliou G, Hinder SJ, Gaber SAA, Gaber DAA, Al Wahedi Y, Polychronopoulou K
Nickel Phosphide Nanoparticles for Selective Hydrogenation of SO2 to H2S
ACS APPLIED NANO MATERIALS #7 4 6568-6582
doi : 10.1021/acsanm.1c00044

Puillet M, Delorme J, Crozet D, Humbert M, Gajan D, Bousquie M, Blanc D, Raynaud J, Monteil V
Ni(ii) and Co(ii) bis(acetylacetonato) complexes for alkene/vinylsilane silylation and silicone crosslinking
CATALYSIS SCIENCE & TECHNOLOGY #14 11 4849-4856
doi : 10.1039/d1cy00834j

Papawassiliou W, Carvalho JP, Panopoulos N, Al Wahedi Y, Wadi VKS, Lu XN, Polychronopoulou K, Lee JB, Lee S, Kim CY, Kim HJ, Katsiotis M, Tzitzios V, Karagianni M, Fardis M, Papavassiliou G, Pell AJ
Crystal and electronic facet analysis of ultrafine Ni2P particles by solid-state NMR nanocrystallography
NATURE COMMUNICATIONS #1 12
doi : 10.1038/s41467-021-24589-5

Elliott SJ, Stern Q, Ceillier M, El Darai T, Cousin SF, Cala O, Jannin S
Practical dissolution dynamic nuclear polarization
PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY # 126-127 59-100
doi : 10.1016/j.pnmrs.2021.04.002

El Darai T, Cousin SF, Stern Q, Ceillier M, Kempf J, Eshchenko D, Melzi R, Schnell M, Gremillard L, Bornet A, Milani J, Vuichoud B, Cala O, Montarnal D, Jannin S
Porous functionalized polymers enable generating and transporting hyperpolarized mixtures of metabolites
NATURE COMMUNICATIONS #1 12
doi : 10.1038/s41467-021-24279-2

Hope MA, Bjorgvinsdottir S, Halat DM, Menzildjian G, Wang ZR, Zhang BW, MacManus-Driscoll JL, Lesage A, Lelli M, Emsley L, Grey CP
Endogenous O-17 Dynamic Nuclear Polarization of Gd-Doped CeO2 from 100 to 370 K
JOURNAL OF PHYSICAL CHEMISTRY C #34 125 18799-18809
doi : 10.1021/acs.jpcc.1c04479

Huhn A, Wisser D, Valero MC, Roy T, Rivallan M, Catita L, Lesage A, Michel C, Raybaud P
Structural Characterization of Phosphate Species Adsorbed on gamma-Alumina by Combining DNP Surface Enhanced NMR Spectroscopy and DFT Calculations
ACS CATALYSIS #17 11 11278-11292
doi : 10.1021/acscatal.1c02135

Aleksis R, Pell AJ
Separation of quadrupolar and paramagnetic shift interactions in high-resolution nuclear magnetic resonance of spinning powders
JOURNAL OF CHEMICAL PHYSICS #9 155
doi : 10.1063/5.0061611

Bonaccorsi M, Le Marchand T, Pintacuda G
Protein structural dynamics by Magic-Angle Spinning NMR
CURRENT OPINION IN STRUCTURAL BIOLOGY # 70 34-43
doi : 10.1016/j.sbi.2021.02.008

Castro-Fernandez P, Kaushik M, Wang ZR, Mance D, Kountoupi E, Willinger E, Abdala PM, Coperet C, Lesage A, Fedorov A, Muller CR
Uncovering selective and active Ga surface sites in gallia-alumina mixed-oxide propane dehydrogenation catalysts by dynamic nuclear polarization surface enhanced NMR spectroscopy
CHEMICAL SCIENCE #46 12 15273-15283
doi : 10.1039/d1sc05381g

Elliott SJ, Stern Q, Cala O, Jannin S
Protonation tuned dipolar order mediated H-1 -> C-13 cross-polarization for dissolution-dynamic nuclear polarization experiments
SOLID STATE NUCLEAR MAGNETIC RESONANCE # 116
doi : 10.1016/j.ssnmr.2021.101762

Menzildjian G, Lund A, Yulikov M, Gajan D, Niccoli L, Karthikeyan G, Casano G, Jeschke G, Ouari O, Lelli M, Lesage A
Efficient Dynamic Nuclear Polarization up to 230 K with Hybrid BDPA-Nitroxide Radicals at a High Magnetic Field
JOURNAL OF PHYSICAL CHEMISTRY B #48 125 13329-13338
doi : 10.1021/acs.jpcb.1c07307

Ashuiev A, Humbert M, Norsic S, Blahut J, Gajan D, Searles K, Klose D, Lesage A, Pintacuda G, Raynaud J, Monteil V, Coperet C, Jeschke G
Spectroscopic Signature and Structure of the Active Sites in Ziegler-Natta Polymerization Catalysts Revealed by Electron Paramagnetic Resonance
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY #26 143 9791-9797
doi : 10.1021/jacs.1c02818

Wang Jinhua, Wicher Barbara, Maurizot Victor, Huc Ivan
Oligo-Quinolylene–Vinylene Foldamers
Chemistry – A European Journal #3 27 1031-1038
doi : 10.1002/chem.202003559

Urushibara Ko, Ferrand Yann, Liu Zhiwei, Katagiri Kosuke, Kawahata Masatoshi, Morvan Estelle, D'Elia Ryan, Pophristic Vojislava, Tanatani Aya, Huc Ivan
Accessing Improbable Foldamer Shapes with Strained Macrocycles
Chemistry – A European Journal #43 27 11205-11215
doi : 10.1002/chem.202101201

Santos Tiago, Miranda André, Campello Maria P. C., Paulo António, Salgado Gilmar, Cabrita Eurico J., Cruz Carla
Recognition of nucleolin through interaction with RNA G-quadruplex
Biochemical Pharmacology # 189 114208
doi : 10.1016/j.bcp.2020.114208

Ghosh Anirban, Largy Eric, Gabelica Valérie
DNA G-quadruplexes for native mass spectrometry in potassium: a database of validated structures in electrospray-compatible conditions
Nucleic Acids Research #4 49 2333-2345
doi : 10.1093/nar/gkab039

Gauthier Maxime, Koehler Victor, Clavel Caroline, Kauffmann Brice, Huc Ivan, Ferrand Yann, Coutrot Frédéric
Interplay between a Foldamer Helix and a Macrocycle in a Foldarotaxane Architecture
Angewandte Chemie International Edition #15 60 8380-8384
doi : 10.1002/anie.202100349

Ferino Annalisa, Marquevielle Julien, Choudhary Himanshi, Cinque Giorgio, Robert Coralie, Bourdoncle Anne, Picco Raffaella, Mergny Jean-Louis, Salgado Gilmar F., Xodo Luigi E.
hnRNPA1/UP1 Unfolds KRAS G-Quadruplexes and Feeds a Regulatory Axis Controlling Gene Expression
ACS Omega #49 6 34092-34106
doi : 10.1021/acsomega.1c05538

Carvalho Josué, Lopes-Nunes Jéssica, Vialet Brune, Rosado Tiago, Gallardo Eugenia, Vale João, Eloy Catarina, Ferreira Sofia, Palmeira-de-Oliveira Rita, Campello Maria Paula Cabral, Paulo António, Barthélémy Philippe, Mergny Jean-Louis, Salgado Gilmar F., Queiroz João A., Ellington Andrew D., Cruz Carla
Nanoaggregate-forming lipid-conjugated AS1411 aptamer as a promising tumor-targeted delivery system of anticancer agents in vitro
Nanomedicine: Nanotechnology, Biology and Medicine # 36 102429
doi : 10.1016/j.nano.2021.102429

Carvalho J., Lopes-Nunes J., Campello M. P. C., Paulo A., Milici J., Meyers C., Mergny J. L., Salgado G. F., Queiroz J. A., Cruz C.
Human Papillomavirus G-Rich Regions as Potential Antiviral Drug Targets
Nucleic Acid Ther #1 31 68-81
doi : 10.1089/nat.2020.0869

Atcher Joan, Mateus Pedro, Kauffmann Brice, Rosu Frédéric, Maurizot Victor, Huc Ivan
Large-Amplitude Conformational Changes in Self-Assembled Multi-Stranded Aromatic Sheets
Angewandte Chemie International Edition #5 60 2574-2577
doi : 10.1002/anie.202014670

Mamode Cassim Adiilah, Navon Yotam, Gao Yu, Decossas Marion, Fouillen Laetitia, Grélard Axelle, Nagano Minoru, Lambert Olivier, Bahammou Delphine, Van Delft Pierre, Maneta-Peyret Lilly, Simon-Plas Françoise, Heux Laurent, Jean Bruno, Fragneto Giovanna, Mortimer Jenny C., Deleu Magali, Lins Laurence, Mongrand Sébastien
Biophysical analysis of the plant-specific GIPC sphingolipids reveals multiple modes of membrane regulation
Journal of Biological Chemistry # 296 100602
doi : 10.1016/j.jbc.2021.100602

Latxague Laurent, Benizri Sébastien, Gaubert Alexandra, Tolchard James, Martinez Denis, Morvan Estelle, Grélard Axelle, Saad Ahmad, Habenstein Birgit, Loquet Antoine, Barthélémy Philippe
Bolaamphiphile-based supramolecular gels with drugs eliciting membrane effects
Journal of Colloid and Interface Science #
doi : 10.1016/j.jcis.2021.03.026

Daskalov Asen, El Mammeri Nadia, Lends Alons, Shenoy Jayakrishna, Lamon Gaelle, Fichou Yann, Saad Ahmad, Martinez Denis, Morvan Estelle, Berbon Melanie, Grélard Axelle, Kauffmann Brice, Ferber Mathias, Bardiaux Benjamin, Habenstein Birgit, Saupe Sven J., Loquet Antoine
Structures of Pathological and Functional Amyloids and Prions, a Solid-State NMR Perspective
Frontiers in Molecular Neuroscience #123 14
doi : 10.3389/fnmol.2021.670513

Collie Gavin W., Lombardo Caterina M., Yoo Sung Hyun, Pułka-Ziach Karolina, Gabelica Valérie, Mackereth Cameron D., Rosu Frédéric, Guichard Gilles
Crystal structures capture multiple stoichiometric states of an aqueous self-assembling oligourea foldamer
Chemical Communications #75 57 9514-9517
doi : 10.1039/D1CC03604A

Chiavarino Barbara, Sinha Rajeev K., Crestoni Maria Elisa, Corinti Davide, Filippi Antonello, Fraschetti Caterina, Scuderi Debora, Maitre Philippe, Fornarini Simonetta
Binding Motifs in the Naked Complexes of Target Amino Acids with an Excerpt of Antitumor Active Biomolecule: An Ion Vibrational Spectroscopy Assay
Chemistry #7 27 2348-2360
doi : 10.1002/chem.202003555

Paciotti Roberto, Corinti Davide, Maitre Philippe, Coletti Cecilia, Re Nazzareno, Chiavarino Barbara, Crestoni Maria Elisa, Fornarini Simonetta
From Preassociation to Chelation: A Survey of Cisplatin Interaction with Methionine at Molecular Level by IR Ion Spectroscopy and Computations
J. Am. Soc. Mass Spectrom #8 32 2206-2217
doi : 10.1021/jasms.1c00152

Corinti Davide, Chiavarino Barbara, Scuderi Debora, Fraschetti Caterina, Filippi Antonello, Fornarini Simonetta, Crestoni Maria Elisa
Molecular Properties of Bare and Microhydrated Vitamin B5-Calcium Complexes
Int J Mol Sci #2 22 692
doi : 10.3390/ijms22020692

Olmedo Walter E, Jimenez Liliana B, Cruz-Ortiz Andrés F, Maitre Philippe, Pino Gustavo A, Rossa Maximiliano
Infrared Multiple Photon Dissociation Spectroscopy of Protonated Cyameluric Acid
J. Phys. Chem. A #2 125 607-614
doi : 10.1021/acs.jpca.0c09394

Dit Fouque Kevin Jeanne, Scutelnic Valeriu, Hegemann Julian D, Rebuffat Sylvie, Maître Philippe, Rizzo Thomas R, Fernandez-Lima Francisco
Structural Insights from Tandem Mass Spectrometry, Ion Mobility-Mass Spectrometry, and Infrared/Ultraviolet Spectroscopy on Sphingonodin I: Lasso vs Branched-Cyclic Topoisomers
J. Am. Soc. Mass Spectrom #4 32 1096-1104
doi : 10.1021/jasms.1c00041

Cruz-Ortiz Andrés F, Molina Franco L, Maitre Philippe, Pino Gustavo A
Guanine Tautomerism in Ionic Complexes with Ag+ Investigated by IRMPD Spectroscopy and Mass Spectrometry
J. Phys. Chem. B #26 125 7137-7146
doi : 10.1021/acs.jpcb.1c03796

Cruz-Ortiz AndrГ©s F., Jara-Toro Rafael A., Berdakin Matias, Loire Estelle, Pino Gustavo A.
Gas phase structure and fragmentation of [Cytosine-Guanine]Ag+ complex studied by mass-resolved IRMPD spectroscopy
The European physical journal. D, Atomic, molecular, and optical physics #4 75
doi : 10.1140/epjd/s10053-021-00129-0

Pérez-Mellor Ariel, Le Barbu-Debus Katia, Lepere Valeria, Alata Ivan, Spezia Riccardo, Zehnacker Anne
Structure and collision-induced dissociation of the protonated cyclo His-Phe dipeptide: mechanistic studies and stereochemical effects
The European physical journal. D, Atomic, molecular, and optical physics #6 75
doi : 10.1140/epjd/s10053-021-00173-w

Pérez-Mellor Ariel, Alata Ivan, Lepere Valeria, Spezia Riccardo, Zehnacker-Rentien Anne
Stereospecific collision-induced dissociation and vibrational spectroscopy of protonated cyclo (Tyr-Pro)
International journal of mass spectrometry # 465 116590
doi : 10.1016/j.ijms.2021.116590

Castilla Clément, Rüger Christopher P., Lavanant Hélène, Afonso Carlos
Ion mobility mass spectrometry of in situ generated biomass pyrolysis products
Journal of Analytical and Applied Pyrolysis # 156
doi : 10.1016/j.jaap.2021.105164

Dabaj Ivana, Ferey Justine, Marguet Florent, Gilard Vianney, Basset Carole, Bahri Youssef, Brehin Anne-Claire, Vanhulle Catherine, Leturcq France, Marret Stéphane, Laquerrière Annie, Schmitz-Afonso Isabelle, Afonso Carlos, Bekri Soumeya, Tebani Abdellah
Muscle metabolic remodelling patterns in Duchenne muscular dystrophy revealed by ultra-high-resolution mass spectrometry imaging
Scientific Reports #1 11
doi : 10.1038/s41598-021-81090-1

Gilard Vianney, Ferey Justine, Marguet Florent, Fontanilles Maxime, Ducatez Franklin, Pilon Carine, Lesueur Céline, Pereira Tony, Basset Carole, Schmitz-Afonso Isabelle, Fioré Frédéric Di, Laquerrière Annie, Afonso Carlos, Derrey Stéphane, Marret Stéphane, Bekri Soumeya, Tebani Abdellah
Integrative Metabolomics Reveals Deep Tissue and Systemic Metabolic Remodeling in Glioblastoma
Cancers #20 13 5157
doi : 10.3390/cancers13205157

Lacroix-Andrivet Oscar, Castilla Clément, Rüger Christopher, Hubert-Roux Marie, Mendes Siqueira Anna Luiza, Giusti Pierre, Afonso Carlos
Direct Insertion Analysis of Polymer-Modified Bitumen by Atmospheric Pressure Chemical Ionization Ultrahigh-Resolution Mass Spectrometry
Energy & Fuels #3 35 2165-2173
doi : 10.1021/acs.energyfuels.0c03827

Lacroix-Andrivet Oscar, Maillard Julien, Mendes Siqueira Anna Luiza, Hubert-Roux Marie, Loutelier-Bourhis Corinne, Afonso Carlos
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
Energy & Fuels #20 35 16442-16451
doi : 10.1021/acs.energyfuels.1c02503

Lacroix-Andrivet Oscar, Mendes Siqueira Anna Luiza, Hubert-Roux Marie, Loutelier-Bourhis Corinne, Afonso Carlos
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
Energy & Fuels #20 35 16432-16441
doi : 10.1021/acs.energyfuels.1c02502

Lemahieu Guillaume, Le Maître Johann, Mase Charlotte, Maillard Julien, Ontiveros Jesús F., Ligiero Leticia, Loriau Matthieu, Giusti Pierre, Afonso Carlos, Aubry Jean-Marie, Molinier Valérie
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
Energy & Fuels #21 35 17522-17535
doi : 10.1021/acs.energyfuels.1c02524

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Suggested plausible structures for Titan's haze analogs using tandem mass spectrometry
Icarus # 358
doi : 10.1016/j.icarus.2020.114181

Maillard J. F., Le Maitre J., Ruger C. P., Ridgeway M., Thompson C. J., Paupy B., Hubert-Roux M., Park M., Afonso C., Giusti P.
Structural analysis of petroporphyrins from asphaltene by trapped ion mobility coupled with Fourier transform ion cyclotron resonance mass spectrometry
Analyst #13 146 4161-4171
doi : 10.1039/d1an00140j

Mase Charlotte, Maillard Julien F., Paupy Benoit, Farenc Mathilde, Adam Cindy, Hubert-Roux Marie, Afonso Carlos, Giusti Pierre
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doi : 10.1021/acs.energyfuels.1c01678

McKenna Amy M., Chacón-Patiño Martha L., Salvato Vallverdu Germain, Bouyssiere Brice, Giusti Pierre, Afonso Carlos, Shi Quan, Combariza Marianny Y.
Advances and Challenges in the Molecular Characterization of Petroporphyrins
Energy & Fuels #22 35 18056-18077
doi : 10.1021/acs.energyfuels.1c02002

Perruchon Olivier, Schmitz-Afonso Isabelle, Grondin Cécile, Casaregola Serge, Afonso Carlos, Elomri Abdelhakim
Combination of UHPLC-MS/MS-molecular networking approach and FTICR-MS for the metabolic profiling of Saccharomyces cerevisiae
Journal of Pharmaceutical and Biomedical Analysis # 195 113857
doi : 10.1016/j.jpba.2020.113857

Perruchon O., Schmitz-Afonso I., Grondin C., Legras J. L., Afonso C., Elomri A.
Metabolome Exploration by High-Resolution Mass Spectrometry Methodologies of Two New Yeast Species: Starmerella reginensis and Starmerella kourouensis
J Agric Food Chem #38 69 11502-11511
doi : 10.1021/acs.jafc.1c03201

Ramírez-Pradilla Juan S., Blanco-Tirado Cristian, Hubert-Roux Marie, Giusti Pierre, Afonso Carlos, Combariza Marianny Y.
Effect of the Ionization Source on the Targeted Analysis of Nickel and Vanadyl Porphyrins in Crude Oil
Energy & Fuels #18 35 14542-14552
doi : 10.1021/acs.energyfuels.1c01743

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

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Cost-efficient and user-friendly 17O/18O labeling procedures of fatty acids using mechanochemistry
Chemical Communications #55 57 6812-6815
doi : 10.1039/d1cc02165f

Boudalis Athanassios K., Olivares-Peña Jorge-Enrique, Moreno-Pineda Eufemio, Fediai Artem, Wenzel Wolfgang, Turek Philippe, Ruben Mario
Room-temperature spin nutations in a magnetically condensed phase of [Y(pc)2]˙
Chemical Communications #87 57 11505-11508
doi : 10.1039/D1CC05491K

Liang Yiming, Sokolov Maxim N., Mikhaylov Maxim A., Ibrahim Helen, Goldmann Michel, Choua Sylvie, Breton Nolwenn Le, Boudon Corinne, Badets Vasilica, Bonnefont Antoine, Ruhlmann Laurent
A 3D electropolymerized thin film based on an isoporphyrin and on a pyridine end-decorated molybdenum(II) halide cluster: Photoelectrochemical and impedance properties
Electrochimica Acta # 388 138493
doi : 10.1016/j.electacta.2021.138493

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Half-sandwich manganese complexes Cp(CO)2Mn(NHC) as redox-active organometallic fragments
Dalton Transactions #40 50 14264-14272
doi : 10.1039/D1DT02182F

Li Cheng-Bo, Bagnall Andrew J., Sun Dongyue, Rendon Julia, Koepf Matthieu, Gambarelli Serge, Mouesca Jean-Marie, Chavarot-Kerlidou Murielle, Artero Vincent
Electrocatalytic reduction of protons to dihydrogen by the cobalt tetraazamacrocyclic complex [Co(N4H)Cl2]+: mechanism and benchmarking of performances
Sustainable Energy & Fuels #1 6 143-149
doi : 10.1039/D1SE01267C

Laxio Arenas J., Xu Y., Milcent T., Van Heijenoort C., Giraud F., Ha-Duong T., Crousse B., Ongeri S.
Fluorinated Triazole Foldamers: Folded or Extended Conformational Preferences
Chempluschem #2 86 241-251
doi : 10.1002/cplu.202000791

Lesma J., Bizet F., Berardet C., Tonali N., Pellegrino S., Taverna M., Khemtemourian L., Soulier J. L., van Heijenoort C., Halgand F., Ha-Duong T., Kaffy J., Ongeri S.
beta-Hairpin Peptide Mimics Decrease Human Islet Amyloid Polypeptide (hIAPP) Aggregation
Front Cell Dev Biol # 9 729001
doi : 10.3389/fcell.2021.729001

Decool H., Gonnin L., Gutsche I., Sizun C., Eleouet J. F., Galloux M.
Interactions between the Nucleoprotein and the Phosphoprotein of Pneumoviruses: Structural Insight for Rational Design of Antivirals
Viruses #12 13
doi : 10.3390/v13122449

Le Dantec Marianne, Ran?i? Milo?, Lin Sen, Billaud Eric, Ranjan Vishal, Flanigan Daniel, Bertaina Sylvain, Chanelière Thierry, Goldner Philippe, Erb Andreas, Liu Ren Bao, Estève Daniel, Vion Denis, Flurin Emmanuel, Bertet Patrice
Twenty-three–millisecond electron spin coherence of erbium ions in a natural-abundance crystal
Science Advances #51 7 eabj9786
doi : 10.1126/sciadv.abj9786

Orio M., Bindra J. K., van Tol J., Giorgi M., Dalal N. S., Bertaina S.
Quantum dynamics of Mn2+ in dimethylammonium magnesium formate
The Journal of Chemical Physics #15 154 154201
doi : 10.1063/5.0046984

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Correction to: Alzheimer's genetic risk factor FERMT2 (Kindlin-2) controls axonal growth and synaptic plasticity in an APP-dependent manner
Molecular Psychiatry #
doi : 10.1038/s41380-020-01015-8

Gyöngyösi Tamás, Timári István, Sinnaeve Davy, Luy Burkhard, Kövér Katalin E.
Expedited Nuclear Magnetic Resonance Assignment of Small- to Medium-Sized Molecules with Improved HSQC-CLIP-COSY Experiments
Analytical Chemistry #6 93 3096-3102
doi : 10.1021/acs.analchem.0c04124

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Azobenzene: a Visible-Light Chemical Actinometer for the Characterization of Fluidic Photosystems
Helvetica Chimica Acta #7 104 e2100071
doi : 10.1002/hlca.202100071

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Isonitrile ruthenium and iron PNP complexes: synthesis, characterization and catalytic assessment for base-free dehydrogenative coupling of alcohols
Dalton Transactions (Cambridge, England: 2003) #29 50 10067-10081
doi : 10.1039/d1dt01722e

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Rubrolone production by Dactylosporangium vinaceum: biosynthesis, modulation and possible biological function
Applied Microbiology and Biotechnology #13 105 5541-5551
doi : 10.1007/s00253-021-11404-w

Lazar Tamas, Martinez-Perez Elizabeth, Quaglia Federica, Hatos Andras, Chemes Lucia B., Iserte Javier A., Mendez Nicolas A., Garrone Nicolas A., Saldano Tadeo E., Marchetti Julia, Velez Rueda Ana Julia, Bernado Pau, Blackledge Martin, Cordeiro Tiago N., Fagerberg Eric, Forman-Kay Julie D., Fornasari Maria S., Gibson Toby J., Gomes Gregory-Neal W., Gradinaru Claudiu C., Head-Gordon Teresa, Jensen Malene Ringkjobing, Lemke Edward A., Longhi Sonia, Marino-Buslje Cristina, Minervini Giovanni, Mittag Tanja, Monzon Alexander Miguel, Pappu Rohit, Parisi Gustavo, Ricard-Blum Sylvie, Ruff Kiersten M., Salladini Edoardo, Skepo Marie, Svergun Dmitri, Vallet Sylvain D., Varadi Mihaly, Tompa Peter, Tosatto Silvio C. E., Piovesan Damiano
PED in 2021: a major update of the protein ensemble database for intrinsically disordered proteins
Nucleic Acids Research #D1 49 D404-D411
doi : 10.1093/nar/gkaa1021