Publications 2013-2018

2019

  Equipe 1  

  1. Study of the gas-phase decomposition of multiply lithiated polycaprolactone, polytetrahydrofurane and their copolymer by two different activation methods: Collision-induced dissociation and electron transfer dissociation. K. Prian, I. Aloui, V . Legros, W. Buchmann. Analytica Chimica Acta 1048, 85-95, 2019.
    DOI: 10.1016/j.aca.2018.10.003
  2. Alkylation of uracil and thymine in the gas phase through interaction with alkylmercury compounds. J-Y. Salpin, V. Haldys, L. Latrous, J-C. Guillemin, J. Tortajada, E. Léon, O. Mó, M. Yáñez, M. Merced Montero-Campillo. International Journal of Mass Spectrometry 436, 153-165, 2019.
    DOI:10.1016/j.ijms.2018.12.03
  3. Harnessing Polyisobutylene by Rotaxanation with γ‐Cyclodextrin: Opportunities for Making Smart Molecular Necklaces. C. PRZYBYLSKI, H. RAMOUL, V. BONNET, M. ABAD, N. JARROUX, First published: 22 January 2019.
    DOI: 10.1002/macp.201800502

  Equipe 2  

  1. Conformational assignment of gas phase peptides and their H-Bonded complexes using far-IR/THz: IR-UV ion dip experiment, DFT-MD spectroscopy, and Graph Theory for modes assignment. Daria Ruth Galimberti, Sana Bougueroua, Jérôme Mahé, Matteo Tommasini, Anouk M. Rijs, and Marie-Pierre Gaigeot. Faraday Discussions ‘Advances in Ion Spectroscopy’, 2019.
    DOI:10.1039/C8FD00211H
  2. DFT-MD of the (110)-Co3O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment. F. Creazzo, Galimberti, D.R., S. Pezzotti, M.P. Gaigeot. J. Chem. Phys. 150:041721-18, 2019.
    DOI:10.1063/1.5053729

  Equipe 3  

  Equipe 4  

  1. Inverse correlation between amyloid stiffness and size. Nassar R., E. Wong, J. Gsponer, and G. Lamour. J Am Chem Soc. 2019; 141:58-61.
    DOI:10.1021/jacs.8b10142

2018

  Equipe 1  

  1. Interactions of dimethyltin(IV) with uracil as studied in the gas phase.
 J.-Y. Salpin, L. Latrous, V. Haldys, A. L. Lamsabhi
J. Phys. Chem. A, 122, 992-1003 (2018)

    DOI:10.1021/acs.jpca.7b11510
  2. Characterization of renal injury and inflammation in an experimental model of intravascular hemolysis.
 N.S. Merle, A. Grunenwald, M.-L. Figueres, S. Chauvet, M. Daugan, S. Knockaert, T. Robe-Rybkine, R. Noe, O. May, M. Frimat, N. Brinkman, T. Gentinetta, S. Miescher, P. Houillier, V. Legros, F. Gonnet, O.P. Blanc-Brude, M. Rabant, R. Daniel, J.D. Dimitrov, L.T. Roumenina
Front. Immunol.
    DOI:10.3389/fimmu.2018.00179
  3. Quantitative phosphoproteomic analysis reveals shared and specific targets of Arabidopsis MPK3, MPK4 and MPK6. 
N. Rayapuram N, J. Bigeard J, H. Alhoraibi H, L. Bonhomme L, A.M. Hesse AM, J. Vinh J, H. Hirt H, D. Pflieger D.
Mol. Cell Proteomics.
    
DOI:10.1074/mcp.RA117.000135.
  4. Topologic and electronic density driven generation of alkali cation complexes. 
H. Boufroura, S. Poyer, A. Gaucher, C. Huin, J-.-Y. Salpin, G. Clavier, D. Prim
Chem. Eur. J. 
    
DOI:10.1002/chem.201800707
  5. Revealing cooperative binding of polycationic cyclodextrins with DNA oligomers by capillary electrophoresis coupled to mass spectrometry. Przybylski C, Benito JM, Bonnet V, Ortiz Mellet C, Garcia Fernandez JM. Analytica Chimica Acta 2018.
    DOI:10.1016/j.aca.2017.11.034
  6. Topology and Electronic Density Driven Generation of Alkali Cation Complexes. Boufroura H, Poyer S, Gaucher A, Huin C, Salpin J-Y, Clavier G, Prim D. Chemistry-a European Journal 2018.
    DOI:10.1002/chem.201800707
  7. Lasers and ion mobility: new additions to the glycosaminoglycanomics toolkit. Compagnon I, Schindler B, Renois-Predelus G, Daniel R. Current Opinion in Structural Biology 2018.
    DOI:10.1016/j.sbi.2018.06.006
  8. Comparative biosensing of glycosaminoglycan hyaluronic acid oligo- and polysaccharides using aerolysin and -hemolysin nanopores(ai dagger). Fennouri A, Ramiandrisoa J, Bacri L, Mathe J, Daniel R. European Physical Journal E 2018.
    DOI:10.1140/epje/i2018-11733-5
  9. Structures of M(Ura-H)(Ura)n and M(Ura-H)(H2O)n (M = Cu, Zn, Pb; n=1-3) complexes in the gas phase by IRMPD spectroscopy in the fingerprint region and theoretical studies. Power B, Haldys V, Salpin J-Y, Fridgen TD. International Journal of Mass Spectrometry 2018.
    DOI:10.1016/j.ijms.2017.05.003
  10. Protonation of methyluracils in the gas phase: The particular case of 3-methyluracil. Salpin J-Y, Haldys V, Steinmetz V, Leon E, Yanez M, Merced Montero-Campillo M. International Journal of Mass Spectrometry 2018.
    DOI:10.1016/j.ijms.2017.05.004
  11. Comparative proteomics of respiratory exosomes in cystic fibrosis, primary ciliary dyskinesia and asthma. Virginie R-C, Matthieu Bourderioux, Joanna L, Cerina C, Vincent JA, Myriam M, Nguyen-Khoa T, Sophie G-P, Alain S, Aleksander E, Isabelle S-G, Chiara GI.  Journal of Proteomics 2018.
    DOI:10.1016/j.jprot.2018.07.001
  12. Versatile cyclodextrin nanotube synthesis with functional anchors for efficient ion channel formation: design, characterization and ion conductance. Mamad-Hemouch H, Bacri L, Huin C, Przybylski C, Thiebot B, Patriarche G, Jarroux N, Pelta J. Nanoscale 2018.
    DOI:10.1039/C8NR02623H

  Equipe 2  

  1. The formation of urea in space. I. Ion-molecule, neutral-neutral and radical gas phase reactions. 
F. Siro Brigiano, Y. Jeanvoine, A. Largo, R. Spezia 
Astron. Astrophys., 610, A26, 2018

    DOI : 10.1051/0004-6361/201425195
  2. Degradation of LiTfO/TEGDME and LiTfO/DME electrolytes in Li-O2 batteries.
M. Carboni, A.G. Marrani, R. Spezia, S. Brutti 
J. Electrochem. Soc. 165, A118-A125, 2018 

    DOI : 10.1149/2.0331802jes
  3. Chemical Dynamics Simulations of Peptide Ion CID. Comparisons between TIK(H+)2 and TLK(H+)2 Fragmentation Dynamics, and with Thermal Simulations. 
Z. Homayoon, V. Macaluso, A. Martin-Somer, M.C.N. Barbosa Muniz, I. Borges, Jr., W.L. Hase, R. Spezia 
Phys. Chem. Chem. Phys. 20, 3614-3629, 2018

    DOI:10.1039/C7CP06818B
  4. On the Gas Phase Synthesis of Protonated Glycine by Chemical Dynamics Simulations
Y. Jeanvoine, A. Largo, W.L. Hase, R. Spezia J. Phys. Chem. A, 122, 869-877, 2018

    DOI : 10.1021/acs.jpca.7b11622
  5. Roles of Hydration for Inducing Decomposition of 2-Deoxy-D-ribose by Ionization of Oxygen K-Shell Electrons. 
K. Fujii, Y. Izumi, A. Narita, K.K. Ghose, P. Lopez-Tarifa, A. Touati, R. Spezia, R. Vuilleumier, M.-P. Gaigeot, M.-F. Politis, M.-A. Hervé du Penhoat, A.Yokoya. 
Radiat. Res. 189 (3), 264-272, 2018

    DOI : 10.1667/RR14225.1
  6. Structural definition of BIL and DL: a new universal methodology to rationalize non-linear X2(ω) SFG signals at charged interfaces, including X3(ω) contributions.
S. Pezzotti, D.R Galimberti, Y.R. Shen, M.-P. Gaigeot
Phys. Chem. Chem. Phys. 20, 5190-5199, 2018

    DOI :10.1039/C7CP06110B
  7. Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface. Serva A, Pezzotti S, Bougueroua S, Galimberti DR, Gaigeot M-P. Journal of Molecular Structure 2018.
    DOI : 10.1016/j.molstruc.2018.03.074
  8. Graph theory for automatic structural recognition in molecular dynamics simulations. Bougueroua S, Spezia R, Pezzotti S, Vial S, Quessette F, Barth D, Gaigeot MP. Journal of Chemical Physics 2018.
    DOI:10.1063/1.5045818
  9. 2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations. Pezzotti S, Serva A, Gaigeot M-P. Journal of Chemical Physics 2018.
    DOI:10.1063/1.5018096
  10. Proton Collision on Deoxyribose Originating from Doubly Ionized Water Molecule Dissociation. Penhoat M-AH, Moraga NR, Gaigeot M-P, Vuilleumier R, Tavernelli I, Politis M-F. Journal of Physical Chemistry A 2018.
    DOI:10.1021/acs.jpca.8b04787
  11. Unimolecular Fragmentation of Deprotonated Diproline Pro(2)-H (-) Studied by Chemical Dynamics Simulations and IRMPD Spectroscopy. Martin-Somer A, Martens J, Grzetic J, Hase WL, Oomens J, Spezia R. Journal of Physical Chemistry A 2018.
    DOI:10.1021/acs.jpca.7b11873
  12. What the Diffuse Layer (DL) Reveals in Non-Linear SFG Spectroscopy. Pezzotti S, Galimberti DR, Shen YR, Gaigeot M-P. Minerals 2018.
    DOI:10.3390/min8070305
  13. Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H+)(2). Macaluso V, Homayoon Z, Spezia R, Hase WL. Physical Chemistry Chemical Physics 2018.
    DOI:10.1039/C8CP02577K
  14. Molecular Hydrophobicity at a Hydrophilic Surface. Cyran J.D., Donovan M.A., Vollmer D., Siro-Brigiano F., Pezzotti S., Galimberti D.R., Gaigeot M.P., BonnM., Backus E.H.G. PNAS, 2018.
    DOI:10.1073/pnas.1819000116
  15. Influence of argon and D2 tagging on the hydrogen bond network in Cs+(H2O)3; kinetic trapping below 40 K. Esser, Tim K and Knorke, Harald and Siro-Brigiano, Flavio and Galimberti, Daria Ruth and Asmis, Knut R and Gaigeot, Marie-Pierre and Lisy, James M. Phys. Chem. Chem. Phys., 20:28476-28486, 2018
    DOI: 10.1039/C8CP06020G

  Equipe 3  

  1. Kinetics of hydrogen permeation through a Ni-base alloy membrane exposed to primary medium of pressurized water reactors. Marchetti L, Martin F, Datcharry F, Chene J. Corrosion Science 2018.
    DOI:10.1016/j.corsci.2018.05.027
  2. Corrosion at the carbon steel-clay borehole water interface under anoxic alkaline and fluctuating temperature conditions. Schlegel ML, Necib S, Daumas S, Labat M, Blanc C, Foy E, Linard Y. Corrosion Science 2018.
    DOI:10.1016/j.corsci.2018.02.052
  3. In situ XANES measurements during electrodeposition of thin film: Example of birnessite, a promising material for environmental applications. Pensel A, Peulon S. Electrochimica Acta 2018.
    DOI:10.1016/j.electacta.2018.06.001
  4. Electrochemical treatment coupled to electrodeposited birnessite thin films applied to the degradation of emerging pollutants. Pensel A, Peulon S, Chausse A. Houille Blanche-Revue Internationale De L Eau 2018.
    DOI:10.1051/lhb/2018006

  Equipe 4  

  1. Identification of single amino acid differences in uniformly charged homopolymeric peptides with aerolysin Nanopore
F. Piguet, H. Ouldali, M. Pastoriza-Gallego, P. Manivet, J. Pelta, A. Oukhaled,
Nature Comm., 9, 966, 2018.
    DOI: 10.1038/s41467-018-03418-2
  2. Biomimetic ion channels formation by emulsion based on chemically modified cyclodextrin nanotubes. 
L. Bacri, H. Mamad-Hemouch, C. Przybylski, B. Thiébot, G. Patriarche, N. Jarroux and J. Pelta,
Faraday Discussion. Accepté
    
DOI: 10.1039/C8FD00030A
  3. Dynamics of polyelectrolyte through aerolysin channel as a function of applied voltage and concentration
. M. Pastoriza-Gallego, B. Thiébot, L. Bacri, L. Auvray, J. Pelta
EPJ E-Soft Matter & Biological Physics, Accepted for publication
    DOI: 10.1140/epje/i2018-11661-4
  4. Solid-State Nanopore Easy Chip Integration in a Cheap and Reusable Microfluidic Device for Ion Transport and Polymer Conformation Sensing. Roman J, Francais O, Jarroux N, Patriarche G, Pelta J, Bacri L, Le Pioufle B. Acs Sensors 2018.
    DOI:10.1021/acssensors.8b00700
  5. Topology and Electronic Density Driven Generation of Alkali Cation Complexes. Boufroura H, Poyer S, Gaucher A, Huin C, Salpin J-Y, Clavier G, Prim D. Chemistry-a European Journal 2018.
    DOI:10.1002/chem.201800707
  6. Polynucleotide transport through lipid membrane in the presence of starburst cyclodextrin-based poly(ethylene glycol). Eskandani Z, Le Gall T, Montier T, Lehn P, Montel F, Auvray L, Huin C, Guegan P. European Physical Journal E 2018.
    DOI:10.1140/epje/i2018-11743-3
  7. Comparative biosensing of glycosaminoglycan hyaluronic acid oligo- and polysaccharides using aerolysin and -hemolysin nanopores(ai dagger). Fennouri A, Ramiandrisoa J, Bacri L, Mathe J, Daniel R. European Physical Journal E 2018.
    DOI:10.1140/epje/i2018-11733-5
  8. From current trace to the understanding of confined media. Roman J, Le Pioufle B, Auvray L, Pelta J, Bacri L. European Physical Journal E 2018.
    DOI:10.1140/epje/i2018-11709-5
  9. Templated polycondensation of aminopropyltrimethoxysilane on DNA. Jarroux N, Clement MJ, Gervais M, Moriau S, Maciejak O, Curmi PA, Cheradame H. European Polymer Journal 2018.
    DOI:10.1016/j.eurpolymj.2017.09.045
  10. Processes at nanopores and bio-nanointerfaces: general discussion. Alzahrani H, Antoine C, Baker L, Balme S, Bhattacharya G, Bohn PW, Cai Q, Chikere C, Crooks RM, Das N, Edwards M, Ehi-Eromosele C, Ermann N, Jiang L, Kanoufi F, Kranz C, Long Y, MacPherson J, McKelvey K, Mirkin M, Nichols R, Nogala W, Pelta J, Ren H, Rudd J, Schuhmann W, Siwy Z, Tian Z, Unwin P, Wen L, White H, Willets K, Wu Y, Ying Y. Faraday Discussions 2018.
    DOI:10.1039/C8FD90023J
  11. Energy conversion at nanointerfaces: general discussion. Alzahrani H, Bentley C, Bohn PW, Chikere C, Commandeur D, Crooks RM, Ehi-Eromosele C, Ewing A, Galeyeva A, Hersbach T, Hillman R, Kanoufi F, Koper M, Kranz C, Loffler T, Long Y, MacPherson J, McKelvey K, Minteer S, Mirkin M, Nichols R, Nogala W, Oehl D, Pelta J, Ren H, Rudd J, Schuhmann W, Tian Z, Unwin P, Vezzoli A, Willets K, Wu Y, Yang Z, Zhan D, Zhao C. Faraday Discussions 2018.
    DOI:10.1039/C8FD90025F
  12. Mechanical Anisotropy in GNNQQNY Amyloid Crystals. Nassar R, Wong E, Bui JM, Yip CK, Li H, Gsponer J, Lamour G. Journal of Physical Chemistry Letters 2018.
    DOI:10.1021/acs.jpclett.8b02027
  13. Versatile cyclodextrin nanotube synthesis with functional anchors for efficient ion channel formation: design, characterization and ion conductance. Mamad-Hemouch H, Bacri L, Huin C, Przybylski C, Thiebot B, Patriarche G, Jarroux N, Pelta J. Nanoscale 2018.
    DOI:10.1039/C8NR02623H
  14. Interplay between membrane tension and the actin cytoskeleton determines shape changes. Simon C, Caorsi V, Campillo C, Sykes C. Physical Biology 2018.
    DOI:10.1088/1478-3975/aad1ab

2017

  Equipe 1  

  1. Conformational dynamics in ion mobility data.S. Poyer, C. Combi-Zerbino, C.M. Choi, L. MacAleese, C. Déo, N. Bogliotti, J. Xie, J.-Y. Salpin, P. Dugourd, F. ChirotAnal. Chem., 89, 4230-4237, 2017
    DOI: 10.1021/acs.analchem.7b00281
  2. Identification of acylation products in SHAPE Chemistry. C. Lin, S. Poyer, L. Zargarian, J.-Y. Salpin, P. Fossé, O. Mauffret, J. XieBioorg. Med. Chem. Lett., 27, 2506-2509, 2017
    DOI: 10.1016/j.bmcl.2017.03.096
  3. Undervalued N3-coordination revealed in the cisplatin complex with 2’-Deoxyadenosine-5’-monophosphate by a combined IRMPD and theoretical study. B. Chiavarino, M.-E. Crestoni, S. Fornarini, D. Scuderi, J.-Y. SalpinInorg. Chem., 56, 8793-8801, 2017
    DOI: 10.1021/acs.inorgchem.7b00570
  4. Isomer separation and effect of the polymerization degree on the gas-phase structure of chondroitin sulfate oligosaccharides analyzed by ion mobility-tandem mass spectrometry. S. Poyer, C. Lopin-Bon, J.-C. Jacquinet, J.-Y. Salpin, R. DanielRapid Commun. Mass Spectrom., 31(23), 2003-2010, 2017
    DOI: 10.1002/rcm.7987
  5. A novel CFHR1- CFHR5 hybrid leads to a familial dominant C3 Glomerulopathy. S.K. Togarsimalemath, S.K. Sethi, R. Duggal, M. Le Quintrec, P. Jha, R. Daniel, F. Gonnet, S. Bansal, L.T. Roumenina, V. Fremeaux-Bacchi, V. Kher, M.-A. Dragon-DureyKidney Int., 92(4), 876–887, 2017
    DOI: 10.1016/j.kint.2017.04.025
  6. IRMPD spectroscopy sheds new (infrared) light on the sulfate pattern of carbohydrates. B. Schindler, L. Barnes, C.J. Gray, S. Chambert, S.L. Flitsch, J. Oomens, R. Daniel, A.R. Allouche, I. CompagnonJ. Phys. Chem. A, 121(10), 2114-2120, 2017
    DOI: 10.1021/acs.jpca.6b11642
  7. Interaction of TiO2 nanoparticles with proteins from aquatic organisms: the case of gill mucus from blue mussel. A. Bourgeault, V. Legros, F. Gonnet, R. Daniel, A. Paquirissamy, C. Bénatar, O. Spalla, C. Chaneac, J.-P. Renault, S. PinEnviron. Sci. Pollut. Res., 24, 13474-13483, 2017
    DOI: 10.1007/s11356-017-8801-3
  8. SOLEIL shining on the solution-state structure of biomacromolecules by synchrotron X-ray footprinting at the metrology beamline.A. Baud, L. Aymé, F. Gonnet, I. Salard, Y. Gohon, P. Jolivet, K. Brodolin, P. Da Silva, A Giuliani, B Sclavi, T. Chardot, P. Mercère, P. Roblin, R. DanielJ. Synchr. Rad., 24, 576-585, 2017
    DOI: 10.1107/S1600577517002478
  9. Efficient recovery of glycosaminoglycan oligosaccharides from polyacrylamide gel electrophoresis combined with mass spectrometry analysis. P.-E. Bodet, I. Salard, C. Przybylski, F. Gonnet, C. Gomila, J. Ausseil, R. DanielAnal. Bioanal. Chem., 409(5), 1257-1269, 2017
    DOI: 10.1007/s00216-016-0052-5
  10. In Sanfilippo syndrome, heparan sulfate hexasaccharides are the most pathogenic fractions involved in glia activation. V. Puy, W. Darwiche, P.-E. Bodet, C. Lony, C. Gomila, S. Vitry, F. Gonnet, S. Strudel, R. Daniel, J. AusseilMol. Genet. Metab., 120(1-2), S112, 2017
    DOI: 10.1016/j.ymgme.2016.11.287
  11. Characterization of protonated model disaccharides from tandem mass spectrometry and chemical dynamics simulations. E. Rossich-Molina, A. Eizaguirre, V. Haldys, D. Urban, G. Doisneau, Y. Bourdreux, J.-M. Beau, J.-Y. Salpin, R. Spezia. ChemPhysChem, 18, 2812-2823, 2017
    DOI: 10.1002/cphc.201700202
  12. Hepatitis C virus core protein targets 4E-BP1 expression and phosphorylation and potentiates Myc-induced liver carcinogenesis in transgenic mice. C. Abdallah, C. Lejamtel, N. Benzoubir, S. Battaglia, N. Sidahmed-Adrar, C. Desterke, M. Lemasson, A.R. Rosenberg, D. Samuel, C. Brechot, D. Pflieger, F. Le Naour, M.F. BourgeadeOncotarget, 8, 56228-56242, 2017
    DOI: 10.18632/oncotarget.17280
  13. Protonation of methyl-uracils in the gas phase : the particular case of 3-methyl-uracil. J.-Y. Salpin, V. Haldys, V. Steinmetz, E. Léon, M. Yáñez, M. Merced Montero-CampilloInt. J. Mass Spectrom, 2017.
    DOI: 10.1016/j.ijms.2017.05.004
  14. Structures of [M(Ura-H)(Ura)]+ and [M(Ura-H)(H2O)n]+ (M = Cu, Zn, Pb ; n = 1 – 3) complexes in the gas phase by IRMPD spectroscopy in the fingerprint region and theoretical studies. B. Power, V. Haldys, J.-Y. Salpin, T. FridgenInt. J. Mass Spectrom. 
    DOI: 10.1016/j.ijms.2017.05.003

  Equipe 2  

  1. Excited state characterization of carbonyl containing carotenoids: a comparison between single and multireference descriptions. 
R. Spezia, S. Knecht, B. Mennucci
Phys. Chem. Chem. Phys., 19(26), 17156-17166, 2017

    DOI: 10.1039/C7CP02941A
  2. On the development of polarizable and Lennard-Jones force fields to study hydration structure and dynamics of actinide(III) ions based on effective ionic radii.
 R. Spezia, V. Migliorati, P. D'Angelo
J. Chem. Phys., 147(16), 161707, 2017

    DOI: 10.1063/1.4989969
  3. How does Ce-III nitrate dissolve in a protic ionic liquid? A combined Molecular Dynamics and EXAFS study.
 A. Serva, V. Migliorati, R. Spezia, P. D'Angelo
Chem.-Eur. J., 23(35), 8424-8433, 2017

    DOI: 10.1002/chem.201604889
  4. Characterization of protonated model disaccharides from tandem mass spectrometry and Chemical Dynamics Simulations. 
E. Rossich Molina, A. Eizaguirre, V. Haldys, D. Urban, G. Doisneau, Y. Bourdreux, J.-M. Beau, J.-Y. Salpin, R. Spezia
ChemPhysChem, 18(19), 2812-2823, 2017

    DOI: 10.1002/cphc.201700202
  5. Solvation properties of the actinide ion Th(IV) in DMSO and DMSO:water mixtures through polarizable Molecular Dynamics. 
M. Montagna, R. Spezia, E. Bodo
Inorg. Chem., 56(19), 11929-11937, 2017

    DOI: 10.1021/acs.inorgchem.7b01900
  6. Structural and energetic properties of La3+ in water/DMSO mixtures.
 M. Montagna, R. Spezia, E. Bodo
J. Mol. Struct., 1148, 381-387, 2017

    DOI: 10.1016/j.molstruc.2017.07.068
  7. Fermi resonance in CO2: Mode assignment and quantum nuclear effects from first principles molecular dynamics. 
M. Basire, F. Mouhat, G. Fraux, A. Bordage, J.L. Hazemann, M. Louvel, R. Spezia, S. Bonella, R. Vuilleumier
J. Chem. Phys., 146(13), 134102, 2017

    DOI: 10.1063/1.4979199
  8. Mapping gas phase dipeptide motions in the far-infrared and terahertz domain. 
J. Mahé, D.J. Bakker, S. Jaeqx, A.M. Rijs, M.-P. Gaigeot
Phys. Chem. Chem. Phys., 19(21), 13778-13787, 2017

    DOI: 10.1039/C7CP00369B
  9. Anharmonic, dynamic and functional level effects in far-infrared spectroscopy: Phenol derivatives.
 D.J. Bakker, Q. Ong, A. Dey, J. Mahé, M.-P. Gaigeot, A.M. Rijs
J. Mol. Spectrosc., 342, 4-16, 2017

    DOI: 10.1016/j.jms.2017.02.004
  10. Combining static and dynamical approaches for infrared spectra calculations of gas phase molecules and clusters.
 D.R. Galimberti, A. Milani, M. Tommasini, C. Castiglioni, M.-P. Gaigeot
J. Chem. Theor. Comput., 13(8), 3802-3813, 2017

    DOI: 10.1021/acs.jctc.7b00471
  11. Static vs dynamic DFT prediction of IR spectra of flexible molecules in the condensed phase: The (ClCF2CF(CF3)OCF2CH3) liquid as a test case.
 D.R. Galimberti, A. Milani, M.-P. Gaigeot, S. Radice, C. Tonelli, R. Picozzi, C. Castiglioni, Spectrochim. Acta A, 183, 195-203, 2017

    DOI: 10.1016/j.saa.2017.04.013
  12. Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences. 
P. Cutolo, N. Basdevant, G. Bernadat, F. Bachelerie, T. Ha-Duong
J. Biomol. Struct. Dyn., 35(2), 399-412, 2017

    DOI: 10.1080/07391102.2016.1145142
  13. Double differential cross sections for liquid water ionization by fast electron impact. 
M.L. de Sanctis, M.-F. Politis, R. Vuilleumier, C.R. Stia, O.A. Fojon
Eur. Phys. J. D, 71(5), 2017

    DOI: 10.1140/epjd/e2017-70615-y
  14. 2D H-Bond network as topmost skin to the air-water interface. 
S. Pezzotti, D.R. Galimberti, M.-P. Gaigeot
J. Phys. Chem. Lett., 8, 3133-3141, 2017

    DOI: 10.1021/acs.jpclett.7b01257
  15. Fingerprints of Inter- and Intra-molecular Hydrogen Bonding in Saligenin-Water Clusters Revealed by Mid- and Far- Infrared Spectroscopy

. D.J. Bakker, A. Dey, D.P. Tabor, Q. Ong, J. Mahé, M.-P. Gaigeot, E.L. Sibert III, A.M. Rijs Phys. Chem. Chem. Phys., 19,20343-20358, 2017

    DOI: 10.1039/c7cp01951c

  Equipe 3  

  1. XPS and NRA investigations during the fabrication of gold nanostructured functionalized screen-printed sensors for the detection of metallic pollutants. 
J.-P. Jasmin, F. Miserque, E. Dumas, I. Vickridge, J.-J. Ganem, C. Cannizzo, A. Chaussé
Appl. Surf. Sci., 397, 159-166, 2017

    DOI: 10.1016/j.apsusc.2016.11.125
  2. Pyrite oxidation in air-equilibrated solutions: An electrochemical study. 
P. Chirita, M.L. Schlegel
Chem. Geol., 470, 67-74, 2017

    DOI: 10.1016/j.chemgeo.2017.08.023
  3. Pitting corrosion modelling by means of a stochastic cellular automata-based model. 
C.F. Perez-Brokate, D. di Caprio, D. Féron, J. de Lamare, A. Chaussé
Corros. Eng. Sci. Technol., 52(8), 605-610, 2017

    DOI: 10.1080/1478422x.2017.1311074
  4. Contribution of cellular automata to the understanding of corrosion phenomena. 
M. Zenkri, D. di Caprio, C. Perez-Brokate, D. Féron, J. de Lamare, A. Chaussé, F. B. Larbi, F. Rouafi 
Condens. Matter Phys., 20(3),33802, 2017

    DOI: 10.5488/cmp.20.33802
  5. Traitement électrochimique couplé à des films de birnessite électrodéposée appliqué à la dégradation de polluants émergents. 
A. Pensel, S. Peulon, A. Chaussé
La Houille Blanche.
    DOI: 10.1051/lhb/2018006

  Equipe 4  

  1. Curcumin/poly(2-methy1-2-oxazoline-b-tetrahydrofuran-b-2-methy1-2-oxazol ine) formulation: An improved penetration and biological effect of curcumin in F508del-CFTR cell lines. 
C. Goncalves, J. P. Gomez, W. Meme, B. Rasolonjatovo, D. Gosset, S. Nedellec, P. Hulin, C. Huin, T. Le Gall, T. Montier, P. Lehn, C. Pichon, P. Guegan, H. Cheradame, P. Midoux
Eur. J. Pharm. Biopharm., 117, 168-181, 2017

    DOI: 10.1016/j.ejpb.2017.04.015
  2. The impact of paper constituents on the efficiency of mechanical strengthening by polyaminoalkylalkoxysilanes. 
C. Piovesan, I. Fabre-Francke, A.L. Dupont, O. Fichet, S. Paris-Lacombe, B. Lavedrine, H. Cheradame
Cellulose, 24(12), 5671-5684, 2017

    DOI: 10.1007/s10570-017-1513-5
  3. Functionalized Solid-State Nanopore Integrated in a Reusable Microfluidic Device for a Better Stability and Nanoparticle Detection. 
J. Roman, N. Jarroux, G. Patriarche, O. Francais, J. Pelta, B. Le Pioufle, L. Bacri
ACS Appl. Mater. Interfaces, 9(48), 41634-41640, 2017

    DOI: 10.1021/acsami.7b14717
  4. Effect of the deacetylation degree on the antibacterial and antibiofilm activity of acemannan from Aloe vera. 
F. Salah, Y. El Ghoul, A. Mandhi, H. Majdoub, N. Jarroux, F. Sakli
Ind. Corp. Prod., 103, 13-18, 2017

    DOI: 10.1016/j.indcrop.2017.03.031
  5. Metal-organic polyhedra to control the conductance of a lipid membrane.
 C. Serre, J. Pelta
Chem., 2(4), 459-460, 2017

    DOI: 10.1016/j.chempr.2017.03.004
  6. Templated polycondensation of aminopropyltrimethoxysilane on DNA
N. Jarroux, M. J. Clement, M. Gervais, S. Moriau, O. Maciejak, P. A. Curmi and H. Cheradame, 
Eur. Polymer J. 
    DOI: 10.1016/j.eurpolymj.2017.09.045

2016

  Equipe 1  

  1. Structures of [M(Ura-H)(H2O)(n)](+) (M=Mg, Ca, Sr, Ba; n=1-3) complexes in the gas phase by IRMPD spectroscopy and theoretical studies. B. Power, V. Haldys, J.-Y. Salpin, T.D. FridgenJ. Mass Spectrom., 51(3), 236-244, 2016
    DOI: 10.1002/jms.3739
  2. Gas-phase interactions of organotin compounds with cysteine. L. Latrous, J.-Y. Salpin, V. Haldys, E. Léon, C. Correia, A. LamsabhiJ. Mass Spectrom., 51, 1006-1015, 2016
    DOI: 10.1002/jms.3812
  3. Alteration of cerebral iron metabolism in Sanfilippo syndrome. (vol 117, pg S97, 2016). V. Puy, P.-E. Bodet, C. Rottier, R. Delaunay, C. Gomila, A. Hodroge, L. Rackowski, T. Lefebvre, Z. Karim, S. Vitry, F. Gonnet, R. Daniel, J. AusseilMolecular Genetics and Metabolism, 118(1), 64, 2016
    DOI: 10.1016/j.ymgme.2016.03.005
  4. Probing the solution structure of Factor H using hydroxyl radical protein footprinting and cross-linking. A. Baud, F. Gonnet, I. Salard, M. Le Mignon, A. Giuliani, P. Mercere, B. Sclavi, R. DanielBiochem. J., 473(12), 1805-1819, 2016
    DOI: 10.1042/BCJ20160225
  5. Cyclodextrin-cobalt (II) molecule-ion pairs as precursors to active Co3O4/ZrO2 catalysts for the complete oxidation of formaldehyde : influence of the cobalt source. L. Bai, F. Wyrwalski, M. Safariamin, R. Bleta, J.F. Lamonier, C. Przybylski, E. Monflier, A. PonchelJ. Catal., 341, 191-204, 2016
    DOI: 10.1016/j.jcat.2016.07.006
  6. Deciphering of polycationic carbohydrate based non-viral gene delivery agents by ESI-LTQ-Orbitrap using CID/HCD pairwise tandem mass spectrometry.C. Przybylski, J.M. Benito, V. Bonnet, C.O. Mellet, J.M.G. FernandezRSC Advances, 6, 78803-78817, 2016
    DOI: 10.1039/c6ra14508f
  7. Toward a suitable structural analysis of gene delivery carrier based on polycationic carbohydrates by electron transfer dissociation tandem mass spectrometry. C. Przybylski, J.M. Benito, V. Bonnet, C.O. Mellet, J.M.G. FernandezAnal. Chim. Acta, 948, 62-72, 2016
    DOI: 10.1016/j.aca.2016.11.001
  8. On the gas phase fragmentation of protonated uracil : a statistical perspective. E. Rossich Molina, J.-Y. Salpin, R. Spezia, E. Martinez-NunezPhys. Chem. Chem. Phys., 18(22), 14980-14990, 2016
    DOI: 10.1039/c6cp01657j
  9. Radical coupling allows a fast and tuned synthesis of densely packed polyrotaxanes involving gamma-cyclodextrins and polydimethylsiloxane. F. Blin, C. Przybylski, V. Bonnet, M.-J. Clement, P.A. Curmi, P. Choppinet, T. Nakajima, H. Cheradame, N. JarrouxMacromolecules, 49(9), 3232-3243, 2016
    DOI: 10.1021/acs.macromol.6b00492
  10. The chondroitin sulfate/dermatan sulfate 4-O-endosulfatase from marine bacterium Vibrio sp FC509 is a dimeric species: Biophysical characterization of an endosulfataseJ. L. Neira, E. Medina-Carmona, L. Montoliu-Gaya, A. Camara-Artigas, I. Seffouh, F. Gonnet, R. Daniel, S. Villegas, J. G. de la Torre, A. L. Pey, F. C. LyBiochimie, 131, 85-95, 2016
    DOI: 10.1016/j.biochi.2016.09.015

  Equipe 2  

  1. Synthesis of formamide and related organic species in the interstellar medium via Chemical Dynamics Simulations.
 R. Spezia, Y. Jeanvoine, W.L. Hase, K. Song, A. Largo
. Astrophys. J., 826(2), 107, 2016

    DOI: 10.3847/0004-637X/826/2/107
  2. Unimolecular dissociation of peptides: statistical vs. non-statistical fragmentation mechanisms and time scales. 
R. Spezia, A. Martin-Somer, V. Macaluso, Z. Homayoon, S. Pratihar, W.L. Hase
Faraday Discuss., 195, 599-618, 2016

    DOI: 10.1039/C6FD00126B
  3. Gas phase fragmentation mechanisms of protonated testosterone as revealed by chemical dynamics simulations. 
G. Lee, E. Park, H. Chung, Y. Jeanvoine, K. Song, R. Spezia
Int. J. Mass Spectrom., 407, 40-50, 2016

    DOI: 10.1016/j.ijms.2016.07.001
  4. Lutetium(III) aqua ion : on the dynamical structure of the heaviest lanthanoid hydration complex.
 F. Sessa, R. Spezia, P. D’Angelo. 
J. Chem. Phys., 144(20), 204505, 2016

    DOI: 10.1063/1.4951714
  5. Structure, stability, and electronic properties of dimethyl sulfoxide and dimethyl formamide clusters containing Th4+. 
M. Montagna, Y. Jeanvoine, R. Spezia, E. Bodo
. J. Phys. Chem. A, 120(27), 4778-4788, 2016

    DOI: 10.1021/acs.jpca.5b12007
  6. Post-transition state dynamics in gas phase reactivity: importance of bifurcations and rotational activation. 
A. Martin-Somer, M. Yanez, W.L. Hase, M.-P. Gaigeot, R. Spezia. 
J. Chem. Theor. Comput., 12(3), 974-982, 2016

    DOI: 10.1021/acs.jctc.5b01135
  7. Model simulations of the thermal dissociation of the TIK(H+)2 tripeptide : mechanisms and kinetic parameters.
 Z. Homayoon, S. Pratihar, E. Dratz, R. Snider, R. Spezia, G.L. Barnes, V. Macaluso, A.M. Somer, W.L. Hase
. J. Phys. Chem. A, 120(42), 8211-8227, 2016

    DOI: 10.1021/acs.jpca.6b05884
  8. 1,2-Dimethoxyethane degradation thermodynamics in Li-O2 redox environments. 
M. Carboni, A.G. Marrani, R. Spezia, S. Brutti
Chem. Eur. J., 22(48), 17188-17203, 2016

    DOI: 10.1002/chem.201602375
  9. Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effects. 
M.R. Fagiani, H. Knorke, T.K. Esser, N. Heine, C.T. Wolke, S. Gewinner, W. Schollkopf, M.-P. Gaigeot, R. Spezia, M.A. Johnson, K.R. Asmis
. Phys. Chem. Chem. Phys., 18, 26743-26754, 2016

    DOI: 10.1039/C6CP05217G
  10. pK(a) at quartz/electrolyte interfaces.
 M. Pfeiffer-Laplaud, M.-P. Gaigeot, M. Sulpizi
. J. Phys. Chem. Lett., 7(16), 3229-3234, 2016

    DOI: 10.1021/acs.jpclett.6b01422
  11. Adsorption of singly charged Ions at the hydroxylated (0001) alpha-quartz/water interface. 
M. Pfeiffer-Laplaud, M.-P. Gaigeot
. J. Phys. Chem. C, 120(9), 4866-4880, 2016

    DOI: 10.1021/acs.jpcc.5b10947
  12. Electrolytes at the hydroxylated (0001) alpha-quartz/water interface : location and structural effects on interfacial silanols by DFT-based MD.
M. Pfeiffer-Laplaud, M.-P. Gaigeot
. J. Phys. Chem. C, 120(26), 14034-14047,2016

    DOI: 10.1021/acs.jpcc.6b01819
  13. Water orientation and hydrogen-bond structure at the fluorite/water interface.
 R. Khatib, E.H.G. Backus, M. Bonn, M. J. Perez-Haro, M.-P. Gaigeot, M. Sulpizi
Sci. Rep., 6, 24287, 2016

    DOI: 10.1038/srep24287
  14. Ab initio molecular dynamics study of an aqueous NaCl solution under an electric field.
 G. Cassone, F. Creazzo, P.V. Giaquinta, F. Saija, A.M. Saitta
. Phys. Chem. Chem. Phys., 18(33), 23164-23173, 2016

    DOI: 10.1039/C6CP03926J
  15. Intermolecular modulation of IR intensities in the solid state. The role of weak interactions in polyethylene crystal: A computational DFT study. 
D. Galimberti, A. Milani, L. Maschio, C. Castiglioni
. J. Chem. Phys., 145(14), 144901  2016

    DOI: 10.1063/1.4964500
  16. On the gas phase fragmentation of protonated uracil : a statistical perspective.
 E. Rossich Molina, J.-Y. Salpin, R. Spezia, E. Martinez-Nunez
. Phys. Chem. Chem. Phys., 18, 14980-14990,2016

    DOI: 10.1039/C6CP01657J
  17. Structure of ring-shaped A42 oligomers determined by conformational selection
. L. Tran, N. Basdevant, C. Prevost, T. Ha-Duong. 
Sci. Rep., 6, 21429, 2016

    DOI: 10.1038/srep21429

  Equipe 3  

  1. Straightforward grafting approach for cyclam-functionalized screen-printed electrodes for selective Cu(II) determination. 
J.-P. Jasmin, K. Ouhenia-Ouadahi, F. Miserque, E. Dumas, C. Cannizzo, A. Chaussé. 
Electrochim. Acta, 200, 115-122, 2016

    DOI: 10.1016/j.electacta.2016.03.141
  2. Efficient electrochemical treatment based on electrodeposited thin films of birnessite for mineralisation of AMPA (aminomethylphosphonic acid) in very soft conditions.
 A. Pensel, S. Peulon, A. Chaussé
 Electrochem. Comm., 69, 19-23, 2016

    DOI: 10.1016/j.elecom.2016.05.012
  3. Dynamic characterization of inter- and intralamellar domains of cobalt-based layered double hydroxides upon electrochemical oxidation. 
C. Taviot-Gueho, P. Vialat, F. Leroux, F. Razzaghi, H. Perrot, O. Sel, N.D. Jensen, U.G. Nielsen, S. Peulon, E. Elkaim, C. Mousty. 
Chem. Mater., 28, 7793-7806, 2016

    DOI: 10.1021/acs.chemmater.6b03061
  4. XPS-nanocharacterization of organic layers electrochemically grafted on the surface of SnO2 thin films to produce a new hybrid material coating.
 R. Drevet, D. Dragoe, M.G. Barthes-Labrousse, A. Chaussé, M. Andrieux
. Appl. Surf. Sci., 384, 442-448, 2016

    DOI: 10.1016/j.apsusc.2016.05.064
  5. Three dimensional discrete stochastic model of occluded corrosion cell. 
C.F. Perez-Brokate, D. di Caprio, D. Féron, J. de Lamare, A. Chaussé
. Corr. Sci., 111, 230-241,2016

    DOI: 10.1016/j.corsci.2016.04.009
  6. Design of laccase-metal organic framework-based bioelectrodes for biocatalytic oxygen reduction reaction.
 S. Patra, S. Sene, C. Mousty, C. Serre, A. Chaussé, L. Legrand, N. Steunou
. ACS Appl. Mater. Interfaces, 8, 20012-20022, 2016

    DOI: 10.1021/acsami.6b05289
  7. Microstructural characterization of carbon steel corrosion in clay borehole water under anoxic and transient acidic conditions.
 M.L. Schlegel, S. Necib, S. Daumas, C. Blanc, E. Foy, N. Trcera, A. Romaine
Corr. Sci., 109, 126-144, 2016

    DOI: 10.1016/j.corsci.2016.03.022
  8. Alteration of nuclear glass in contact with iron and claystone at 90 degrees C under anoxic conditions: characterization of the alteration products after two years of interaction.
 M.L. Schlegel, C. Martin, F. Brucker, C. Bataillon, C. Blanc, M. Chorro, P. Jollivet
. Appl. Geochem., 70, 27-42, 2016

    DOI: 10.1016/j.apgeochem.2016.04.009

  Equipe 4  

  1. F-actin mechanics control spindle centring in the mouse zygote.
 A. Chaigne, C. Campillo, R. Voituriez, N.S. Gov, C. Sykes, M.H. Verlhac, M.E. Terret
. Nat. Commun., 7, 10253, 2016

    DOI: 10.1038/ncomms10253
  2. Elasticity, adhesion, and tether extrusion on breast cancer cells provide a signature of their invasive potential.
G. Smolyakov, B. Thiebot, C. Campillo, S. Labdi, C. Severac, J. Pelta, E. Dague. 
ACS Appl. Mater. Interfaces, 8, 27426-27431, 2016

    DOI: 10.1021/acsami.6b07698
  3. How cellular membrane properties are affected by the actin cytoskeleton. 
J. Lemiere, F. Valentino, C. Campillo, C. Sykes. 
Biochimie, 130, 33-40, 2016

    DOI: 10.1016/j.biochi.2016.09.019
  4. Cell-sized liposome doublets reveal active tension build-up driven by acto-myosin dynamics.
 V. Caorsi, J. Lemiere, C. Campillo, M. Bussonnier, J. Manzi, T. Betz, J. Plastino, K. Carvalho, C. Sykes
Soft Matter, 12, 6223-6231, 2016

    DOI: 10.1039/c6sm00856a
  5. Fluctuations of a membrane nanotube revealed by high-resolution force measurements. 
F. Valentino, P. Sens, J. Lemiere, A. Allard, T. Betz, C. Campillo, C. Sykes
Soft Matter., 12(47), 9429-9435, 2016

    DOI: 10.1039/c6sm02117d
  6. How synergy of actin assembly-disassembly and myosin motors drives cell shape changes.
 V. Caorsi, S.S. Wu, J. Lemiere, C. Campillo, T. Betz, J. Plastino, C. Sykes.
 Biophys. J., 110, 127A-128A, 2016

    DOI: 10.1016/j.bpj.2015.11.732
  7. Evaluation of the effect of chemical or enzymatic synthesis methods on biodegradability of polyesters.
L. Goujard, P.-J. Roumanet, B. Barea, Y. Raoul, F. Ziarelli, J. Le Petit, N. Jarroux, E. Ferre, P. Guegan
. J. polym. Environ., 24(1), 64-71, 2016

    DOI: 10.1007/s10924-015-0742-7
  8. Probing driving forces in aerolysin and alpha-hemolysin biological nanopores : electrophoresis versus electroosmosis.
M. Boukhet, F. Piguet, H. Ouldali, M. Pastoriza-Gallego, J. Pelta, A. Oukhaled
Nanoscale, 8, 18352-18359, 2016

    DOI: 10.1039/c6nr06936c
  9. Electrophoresis and electroosmosis in aerolysin and hemolysin nanopores.
M. Boukhet, J. Pelta, J.C. Behrends, A. Oukhaled
Biophys. J., 110, 76A-77A, 2016

    DOI: 10.1016/j.bpj.2015.11.478
  10. Chemical sensors based on new polyamides biobased on (Z) octadec-9-enedioic acid and beta-cyclodextrin. 
L. Duarte, S. Nag, M. Castro, E. Zaborova, M. Menand, M. Sollogoub, V. Bennevault, J.-F. Feller, P. Guegan
. Macromol. Chem. Phys., 217, 1620-1628, 2016

    DOI: 10.1002/macp.201600102
  11. Optimized synthesis according to one-step process of a biobased thermoplastic polyacetal derived from isosorbide. 
N. Hammami, N. Jarroux, M. Robitzer, M. Majdoub, J.-P. Habas. 
Polymers, 8, 294-312, 2016

    DOI: 10.3390/polym8080294
  12. Consolidation of artificially degraded polyurethane ester foam with aminoalkylalkoxysilanes. 
E. Pellizzi, A. Lattuati-Derieux, J.B.D. de Lacaillerie, B. Lavedrine, H. Cheradame. 
Polym. Degrad. Stab., 129, 106-113, 2016

    DOI: 10.1016/j.polymdegradstab.2016.04.007
  13. Radical coupling allows a fast and tuned synthesis of densely packed polyrotaxanes involving gamma-cyclodextrins and polydimethylsiloxane.
 F. Blin, C. Przybylski, V. Bonnet, M.-J. Clement, P. A. Curmi, P. Choppinet, T. Nakajima, H. Cheradame, N. Jarroux
. Macromolecules, 49, 3232-3243, 2016

    DOI: 10.1021/acs.macromol.6b00492
  14. High Temperature Extends the Range of Size Discrimination of Nonionic Polymers by a Biological Nanopore. 
F. Piguet, H. Ouldali, F. Discala, M-F. Breton, J-C. Behrends, J. Pelta, A. Oukhaled
Sci. Rep., 6, 38675, 2016

    DOI: 10.1038/srep38675

2015

  Equipe 1  

  1. Effects of calcium complexation on heparin-like disaccharides. A combined theoretical, tandem mass spectrometry and ultraviolet experiment.D. Ortiz, Q. Enjalbert, L. MacAleese, P. Dugourd, J.-Y. SalpinRapid Commun. Mass Spectrom., 29(12), 1135-1144, 2015
    DOI: 10.1002/rcm.7204
  2. Structure of protonated thymidine characterized by infrared multiple photon dissociation and quantum calculations.J.-Y. Salpin, D. ScuderiRapid Commun. Mass Spectrom., 29(20), 1898-1904, 2015
    DOI: 10.1002/rcm.7296
  3. Structures of bare and singly hydrated [M(Ura-H)(Ura)](+) (M = Mg, Ca, Sr, Ba) complexes in the gas phase by IRMPD spectroscopy in the fingerprint region.B. Power, V. Haldys, J.-Y. Salpin, T.D. FridgenInt. J. Mass Spectrom., 378, 328-335, 2015
    DOI: 10.1016/j.ijms.2014.10.002
  4. Interaction of Cisplatin with 5 '-dGMP: A combined IRMPD and theoretical study.B. Chiavarino, M.E. Crestoni, S. Fornarini, D. Scuderi, J.-Y. SalpinInorg. Chem., 54(7), 3513-3522, 2015
    DOI: 10.1021/acs.inorgchem.5b00070
  5. Capillary electrophoresis fingerprinting of 8-aminopyrene-1,3,6-trisulfonate derivatized nitrocellulose after partial acid depolymerization.E. Alinat, N. Delaunay, C. Przybylski, R. Daniel, X. Archer, G. GareilJ. Chromatogr. A, 1387, 134-143, 2015
    DOI: 10.1016/j.chroma.2015.01.092
  6. MALDI-TOF MS and ESI-LTQ-Orbitrap tandem mass spectrometry reveal specific porphyranase activity from a Pseudoalteromonas atlantica bacterial extract.C. Przybylski, G. Correc, M. Fer, F. Gonnet, W. Helbert, R. DanielRSC Advances, 5(98), 80793-80803, 2015
    DOI: 10.1039/c5ra14449c
  7. On-line capillary isoelectric focusing hyphenated to native electrospray ionization mass spectrometry for the characterization of interferon-γ and variants.C. Przybylski, M. Mokadem, M. Prull-Janssen, E. Saesen, H. Lortat-Jacob, F. Gonnet, A. Varenne, R. DanielAnalyst, 140(2), 543-550, 2015
    DOI: 10.1039/C4AN01305K
  8. Probing the common alkali metal affinity of native and variously methylated beta-cyclodextrins by combining electrospray-tandem mass spectrometry and molecular modeling.C. Przybylski, V. Bonnet, C. CezardPhys. Chem. Chem. Phys., 17(29), 19288-19305, 2015
    DOI: 10.1039/c5cp02895g
  9. Elucidating collision induced dissociation products and reaction mechanisms of protonated uracil by coupling chemical dynamics simulations with tandem mass spectrometry experiments.E. Rossich Molina, D. Ortiz, J.-Y. Salpin, R. SpeziaJ. Mass Spectrom., 50(12), 1340-1351, 2015
    DOI: 10.1002/jms.3704
  10. Biomarkers probed in saliva by surface plasmon resonance imaging coupled to matrix-assisted laser desorption/ionization mass spectrometry in array format.J. Musso, W. Buchmann, F. Gonnet, N. Jarroux, S. Bellon, C. Frydman, D.L. Brunet, R. DanielAnal. Bioanal. Chem., 407(5), 1285-1294, 2015
    DOI: 10.1007/s00216-014-8373-8
  11. Biomimetic nanotubes based on cyclodextrins for ion-channel applications.H. Mamad-Hemouch, H. Ramoul, M. Abou Taha, L. Bacri, C. Huin, C. Przybylski, A. Oukhaled, B. Thiébot, G. Patriarche, N. Jarroux, J. PeltaNano Lett., 15(11), 7748-7754, 2015
    DOI: 10.1021/acs.nanolett.5b03938

  Equipe 2  

  1. Solvent structure around Lanthanoid(III) ions in liquid DMSO as revealed by polarizable Molecular Dynamics Simulations. 
E. Bodo, V. Macaluso, R. Spezia. 
J. Phys. Chem. B, 119, 13347-13357, 2015.
    DOI: 10.1021/acs.jpcb.5b06317
  2. Collision-induced dissociation pathways of protonated Gly2NH2 and Gly3NH2 in the short time-scale limit by chemical dynamics and ion spectroscopy. 
R. Spezia, J. Martens, J. Oomens, K. Song
Int. J. Mass Spectrom., 388, 40-52, 2015
    DOI: 10.1016/j.ijms.2015.07.025
  3. Collision induced dissociation mechanisms of protonated penta- and octa-glycine as revealed by chemical dynamics simulations.
 R. Spezia, S.B. Lee, A. Cho, K. Song
Int. J. Mass Spectrom., 392, 125-138, 2015
    DOI: 10.1016/j.ijms.2015.10.001
  4. Echinenone vibrational properties : from solvents to the orange carotenoid protein.
 E. Kish, M.M. Mendes-Pinto, D. Kirilovsky, R. Spezia, B. Robert
. Biochim. Biophys. Acta Bioenergetics, 1847, 1044-1054, 2015
    DOI: 10.1016/j.bbabio.2015.05.010
  5. Stalking higher energy conformers on the potential energy surface of charged species. 
V. Brites, A. Cimas, R. Spezia, N. Sieffert, J.M. Lisy, M.-P. Gaigeot. 
J. Chem. Theor. Comput., 11, 871-883, 2015
    DOI: 10.1021/ct5008197
  6. Assignment of IR bands of isolated and protein-bound peridinin in its fundamental and triplet state by static FTIR, time-resolved step-scan FTIR and DFT calculations. 
A. Mezzetti, E. Kish, B. Robert, R. Spezia. 
J. Mol. Struct., 1090, 58-64, 2015
    DOI: 10.1016/j.molstruc.2014.11.054
  7. Theoretical study of the ionization of liquid water from its several initial orbitals by fast electron impact.
 M.L. de Sanctis, M.-F. Politis, R. Vuilleumier, C.R. Stia, O.A. Fojon. 
J. Phys. B: Atom. Mol. Opt., 48, 155201, 2015
    DOI: 10.1088/0953-4075/48/15/155201
  8. Model potentials in liquid water ionization by fast electron impact. 
M.L. de Sanctis, M.-F. Politis, R. Vuilleumier, C.R. Stia, O.A. Fojon
. J. Phys.: Conf. Ser., 583, 012023, 2015
    DOI: 10.1088/1742-6596/583/1/012023
  9. Investigation of the fragmentation of core-ionised deoxyribose : a study as a function of the tautomeric form.
 M.A.H. du Penhoat, K. Kamol Ghose, M.-P. Gaigeot, R. Vuilleumier, K. Fujii, A. Yokoya, M.-F. Politis. 
Phys. Chem. Chem. Phys., 17, 32375-32383, 2015
    DOI: 10.1039/c5cp05196g
  10. XAS examination of glutathione cobalt complexes in solution.
C. Bresson, R. Spezia, P.L. Solari, C.K. Jankowski, C. Den Auwer
J. Inorg. Biochem., 142, 126-131, 2015
    DOI: 10.1016/j.jinorgbio.2014.10.006
  11. Infrared predissociation vibrational spectroscopy of Li+(H2O)3,4 Ar0,1 reanalyzed using Density Functional Theory Molecular Dynamics. 
V. Brites, J.M. Lisy, M.-P. Gaigeot. 
J. Phys. Chem. A, 119, 2468-2474, 2015
    DOI: 10.1021/jp508699m
  12. Dynamics and thermodynamics of decay in charged clusters. 
M.A. Miller, D.A. Bonhommeau, C.P. Moerland, S.J. Gray, M.-P. Gaigeot
. Mol. Phys., 113, 17, 2428-2434, 2015
    
DOI: 10.1080/00268976.2015.1037805
  13. Can far-IR action spectroscopy and BOMD simulations be conformation selective. 
J. Mahé, S. Jaeqx, A.M. Rijs, M.-P. Gaigeot
. Phys. Chem. Chem. Phys., 17, 25905-25914, 2015
    DOI: 10.1039/C5CP01518A
  14. The bi-modal acidity at the amorphous silica/water interface.
 M. Pfeiffer-Laplaud, D. Costa, F. Tielens, M.-P. Gaigeot, M. Sulpizi. 
J.Phys.Chem.C, 119, 27354-27362, 2015
    DOI: 10.1021/acs.jpcc.5b02854
  15. Ab initio investigations on the CaO2+ dication. 
V. Brites, F. Le Quere, C. Leonard
. Comput. Theor. Chem., 1052, 1-5, 2015
    DOI: 10.1016/j.comptc.2014.11.009
  16. Simulation of the - absorption and emission spectra of the SiCCl radical. 
A.O. Mitrushchenkov, V. Brites, C. Leonard
Mol. Phys., 113(13-14, SI), 1695-1703, 2015
    DOI: 10.1080/00268976.2015.1005707
  17. Elucidating collision induced dissociation products and reaction mechanisms of protonated uracil by coupling chemical dynamics simulations with tandem mass spectrometry experiments. 
E. Rossich Molina, D. Ortiz, J.-Y. Salpin, R. Spezia. 
J. Mass Spectrom., 50, 1340-1351, 2015
    
DOI: 10.1002/jms.3704

  Equipe 3  

  1. Metal organic precursor effect on the properties of SnO2 thin films deposited by MOCVD technique for electrochemical applications.
R. Drevet, C. Legros, D. Berardan, P. Ribot, D. Dragoe, C. Cannizzo, M.G. Barthes-Labrousse, A. Chaussé, M. Andrieux
. Surf. Coat. Tech., 271, 234-241, 2015

    DOI: 10.1016/j.surfcoat.2014.12.008
  2. Design of metal organic framework-enzyme based bioelectrodes as a novel and highly sensitive biosensing platform.
S. Patra, T. Hidalgo Crespo, A. Permyakova, C. Sicard, C. Serre, A. Chaussé, N. Stenou, L. Legrand
. J. Mat. Chem. B, 3, 8983-8992, 2015

    DOI: 10.1039/c5tb01412c
  3. Birnessite electrodeposited onto SnO2 substrate: application to the removal of methyl orange. 
W. Chouchene, C. Annabi, M. Zaied, S. Peulon, A. Chaussé, N. Bellakhal
. J. Tunisian Chem. Soc., 17, 23-29, 2015
    DOI: 
  4. Oxidative dissolution of iron monosulfide (FeS) in acidic conditions: the effect of solid pretreatment.
P. Chirita, M.L. Schlegel
Int. J. Min. Process., 135, 57-64, 2015

    DOI: 10.1016/j.minpro.2015.02.001
  5. Numerical modeling of thermal desorption mass spectroscopy (TDS) for the study of hydrogen diffusion and trapping interactions in metals.
C. Hurley, F. Martin, L. Marchetti, J. Chêne, C. Blanc, E. Andrieu
Int. J. Hydrogen Energ., 40(8), 3402-3414, 2015

    DOI: 10.1016/j.ijhydene.2015.01.001
  6. Influence of gamma-irradiation on the transport kinetics of hydrogen in pre-transition oxidized Zircaloy-4 at room temperature.
F.A. Martin, V. Dauvois, S. Esnouf, C. Fourdrin, F. Jomard, J. Chêne. 
J. Nucl. Mater., 465, 615-625, 2015

    DOI: 10.1016/j.jnucmat.2015.06.049
  7. Multi-technique coupling for analysis of deuterium retention in carbon fiber composite NB31.
E. Bernard, H. Khodja, B. Pegourie, C. Martin, C. Pardanaud, I. Beurroies, J. Chêne, G. Giacometti, L. Marchetti, P. Roubin, R. Sakamoto
. J. Mater. Sci., 50(21), 7031-7042, 2015

    DOI: 10.1007/s10853-015-9256-x
  8. SIMS and TEM investigation of hydrogen trapping on implantation defects in a nickel-based superalloy.
F. Jambon, L. Marchetti, M. Sennour, F. Jomard, J. Chêne
. J. Nucl. Mater., 466, 120-133, 2015

    DOI: 10.1016/j.jnucmat.2015.07.045

  Equipe 4  

  1. New semi-conducting rotaxane based on beta-cyclodextrin and anthracene moieties.
S. Teka, K. Hriz, N. Jaballah, D. Kreher, F. Mathevet, N. Jarroux, M. Majdoub
. Mat. Sci. Semiconduc. Process., 34, 189-197, 2015

    DOI: 10.1016/j.mssp.2015.01.051
  2. Poly(2-methyl-2-oxazoline)-b-poly(tetrahydrofuran)-b-poly(2-methyl-2-oxazoline) amphiphilic triblock copolymers : synthesis, physicochemical characterizations, and hydrosolubilizing properties.
B. Rasolonjatovo, J.-P. Gomez, W. Meme, C. Goncalves, C. Huin, V. Bennevault-Celton, T. Le Gall, T. Montier, P. Lehn, H. Cheradame, P. Midoux, P. Guegan. 
Biomacromolecules, 16(3), 748-756, 2015

    DOI: 10.1021/bm5016656
  3. Stable antifouling coatings by hydrogen-bonding interaction between poly(2-methyl-2-oxazoline)-block-poly(4-vinyl pyridine) and poly(acrylic acid).
L. Tan, L.C. Bai, H.K. Zhu, C. Zhang, L.J. Chen, Y.M. Wang, H. Cheradame
. J. Mater. Sci., 50(14), 4898-4913, 2015

    DOI: 10.1007/s10853-015-9035-8
  4. A narrow window of cortical tension guides asymmetric spindle positioning in the mouse oocyte.
A. Chaigne, C. Campillo, N.S. Gov, R. Voituriez, C. Sykes, M.H. Verlhac, M.E. Terret
. Nat. Commun., 6, 6027, 2015

    DOI: 10.1038/ncomms7027
  5. High-resolution size-discrimination of single nonionic synthetic polymers with a highly charged biological nanopore. 
G. Baaken, I. Halimeh, L. Bacri, J. Pelta, A. Oukhaled, J.C. Behrends
. ACS NANO, 9(6), 6443-6449, 2015
 
    DOI: 10.1021/acsnano.5b02096
  6. Dynamics and energy contributions for transport of unfolded pertactin through a protein nanopore.
B. Cressiot, E. Braselmann, A. Oukhaled, A.H. Elcock, J. Pelta, P.L. Clark
. ACS NANO, 9(9), 9050-9061, 2015

    DOI: 10.1021/acsnano.5b03053
  7. Temperature effect on ionic current and ssDNA transport through nanopores.
L. Payet, M. Martinho, C. Merstorf, M. Pastoriza-Gallego, J. Pelta, V. Viasnoff, L. Auvray, M. Muthukumar, J. Mathé. 
Biophys J., 109(8), 1600-1607, 2015

    DOI: 10.1016/j.bpj.2015.08.043
  8. Temperature sensitive supramolecular self assembly of per-6-PEO-beta-cyclodextrin and alpha, omega-di-(adamantylethyl)poly(N-isopropylacrylamide) in water.
V. Bennevault, C. Huin, P. Guégan, K. Evgeniva, X.-P. Qui, F.M. Winnik
Soft Matter., 11(32), 6432-6443, 2015

    DOI: 10.1039/c5sm01293g
  9. Dynamics and energy contributions for transport of pertactin through an aerolysin nanopore. 
B. Cressiot, E. Braselmann, A.G. Oukhaled, J. Pelta, P.L. Clark. 
Biophys. J., 108(2 sup 1), 481A-481A, 2015

    DOI: 10.1016/j.bpj.2014.11.2629
  10. Aerolysin block by single polyethylenegycol oligomers : mass sensitivity and voltage dependence. 
G. Baaken, L. Bacri, J. Pelta, A. Oukhaled, J. C. Behrends
. Biophys. J., 108(2), 81A-81A, 2015

    DOI: 10.1016/j.bpj.2014.11.475
  11. Paper strengthening and desacidification by polyaminoalkylalkoxysilane copolymer networks : a model study. 
C. Piovesan, A.L. Dupont, O. Fichet, I. Fabre-Francke, B. Lavedrine, H. Cheradame
. Abstr. Pap. Am. Chem. Soc., 249, 2015
    DOI: 10.1007/s10570-013-0151-9
  12. Biomarkers probed in saliva by surface plasmon resonance imaging coupled to matrix-assisted laser desorption/ionization mass spectrometry in array format. 
J. Musso, W. Buchmann, F. Gonnet, N. Jarroux, S. Bellon, C. Frydman, D.L. Brunet, R. Daniel, Anal. Bioanal. Chem., 407(5), 1285-1294, 2015

    DOI: 10.1007/s00216-014-8373-8
  13. Biomimetic nanotubes based on cyclodextrins for ion-channel applications.
H. Mamad-Hemouch, H. Ramoul, M. Abou Taha, L. Bacri, C. Huin, C. Przybylski, A. Oukhaled, B. Thiébot, G. Patriarche, N. Jarroux, J. Pelta
Nano Lett., 15(11), 7748-7754, 2015

    DOI: 10.1021/acs.nanolett.5b03938

2014

  Equipe 1  

  1. Structure of the Pb2+-deprotonated dGMP complex in the gas phase : a combined MS-MS/IRMPD spectroscopy/ion mobility study.J.-Y. Salpin, L. MacAleese, F. Chirot, P. Dugourd. Phys. Chem. Chem. Phys., 16(27), 14127-14138, 2014
    DOI: 10.1039/c4cp00163j
  2. Gas-phase interactions between Lead(II) ions and Cytosine as probed by MS/MS and IRMPD spectroscopy.J.-Y. Salpin, V. Haldys, S. Guillaumont, J. Tortajada, M. Hurtado, A.M. Lamsabhi. ChemPhysChem, 15, 2959-2971, 2014
    DOI: 10.1002/cphc.201402369
  3. Derivatization strategies for CE-LIF analysis of biomarkers : Toward a clinical diagnostic of familial transthyretin amyloidosis.S. Korchane, A. Pallandre, C. Przybylski, C. Pous, F. Gonnet, M. Taverna, R. Daniel, I. Le PotierElectrophoresis, 35(7, SI), 1050-1059, 2014
    DOI: 10.1002/elps.201300426
  4. Hydration properties of lanthanoid(III) carbonate complexes in liquid water determined by polarizable molecular dynamics simulations.F. Martelli, Y. Jeanvoine, T. Vercouter, C. Beuchat, R. Vuilleumier, R. Spezia. Phys. Chem. Chem. Phys., 16(8), 3693-3705, 2014
    DOI: 10.1039/c3cp54001d
  5. Identification of novel PAMP-triggered phosphorylation and dephosphorylation events in Arabidopsis thaliana by quantitative phosphoproteomic analysis.N. Rayapuram, L. Bonhomme, J. Bigeard, K. Haddadou, C. Przybylski, H. Hirt, D. Pflieger. J. Proteome Res., 13(4), 2137-2151, 2014
    DOI: 10.1021/pr401268v
  6. Protein complexes characterization in Arabidopsis thaliana by tandem affinity purification coupled to mass spectrometry analysis. Bigeard J, Pflieger D, Colcombet J, Gérard L, Mireau H, Hirt H. Methods Mol Biol. 1171, 237-250, 2014
    DOI: 10.1007/978-1-4939-0922-3_18
  7. Synthetic oligomer analysis using atmospheric pressure photoionization mass spectrometry at different photon energies.B. Desmazières, V. Legros, A. Giuliani, W. Buchmann. Anal. Chim. Acta, 808, 220-230, 2014
    DOI: 10.1016/j.aca.2013.11.036
  8. The nano-bio interface mapped by oxidative footprinting of the adsorption sites of myoglobin.S. Devineau, C. Mathé, V. Legros, F. Gonnet, R. Daniel, J.-P. Renault, S. Pin. Anal. Bioanal. Chem., 406(30), 8037-8040, 2014
    DOI: 10.1007/s00216-014-8188-7
  9. Galactose-6-Sulfate collision induced dissociation using QM plus MM chemical dynamics simulations and ESI-MS/MS experiments.D. Ortiz, J.-Y. Salpin, K. Song, R. Spezia. Int. J. Mass Spectrom., 358, 25-35, 2014
    DOI: 10.1016/j.ijms.2013.11.002
  10. Phosphorylation-dependent regulation of plant chromatin and chromatin-associated proteins. J. Bigeard, N. Rayapuram, D. Pflieger, H. HirtProteomics, 14(19), 2127-2140, 2014
    DOI: 10.1002/pmic.201400073
  11. Proteomic and phosphoproteomic analyses of chromatin-associated proteins from Arabidopsis thaliana. J. Bigeard, N. Rayapuram, L. Bonhomme, H. Hirt, D. Pflieger. Proteomics, 14(19), 2141-2155, 2014
    DOI: 10.1002/pmic.201400072

  Equipe 2  

  1. Hydration properties of lanthanoid(III) carbonate complexes in liquid water determined by polarizable molecular dynamics simulations.
F. Martelli, Y. Jeanvoine, T. Vercouter, C. Beuchat, R. Vuilleumier, R. Spezia. 
Phys. Chem. Chem. Phys., 16(8), 3693-3705, 2014

    DOI: 10.1039/c3cp54001d
  2. Hydration properties of Cm(III) and Th(IV) combining coordination free energy profiles with electronic structure analysis.
R. Spezia, Y. Jeanvoine, C. Beuchat, L. Gagliardi, R. Vuilleumier
. Phys. Chem. Chem. Phys., 16(12), 5824-5832, 2014

    DOI: 10.1039/c3cp54958e
  3. Fermi Resonance as a tool for probing peridinin environment.
E. Kish, M.M.M. Pinto, D. Bovi, M. Basire, L. Guidoni, R. Vuilleumier, B. Robert, R. Spezia, A. Mezzetti
. J. Phys. Chem. B, 118(22), 5873-5881, 2014

    DOI: 10.1021/jp501667t
  4. Developing polarizable potential for molecular dynamics of Cm(III)-carbonate complexes in liquid water.
R. Spezia, Y. Jeanvoine, R. Vuilleumier
J. Mol. Model., 20(8), 2398, 2014

    DOI: 10.1007/s00894-014-2398-y
  5. O-H anharmonic vibrational motions in Cl- … (CH3OH)1-2 ionic clusters. Combined IRPD experiments and AIMD simulations.
J.P. Beck, A. Cimas, J.M. Lisy, M.-P. Gaigeot
Spectrochim. Acta A, 119, 12-17, 2014
    DOI: 10.1016/j.saa.2013.05.073
  6. High energy conformers of M+(APE)(H2O)0-1Ar0-1 clusters revealed by combined IR-PD and DFT-MD anharmonic vibrational spectroscopy.
V. Brites, A.L. Nicely, N. Sieffert, M.-P. Gaigeot, J.M. Lisy
. Phys. Chem. Chem. Phys., 16(26), 13086-13095, 2014

    DOI: 10.1039/c4cp01275e
  7. MDMC2: A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters.
D.A. Bonhommeau, M.-P. Gaigeot
. Comput. Phys. Commun., 185(2), 684-694, 2014

    DOI: 10.1016/j.cpc.2013.10.015
  8. Time-dependent Density Functional Theory molecular dynamics simulation of doubly charged uracil in gas phase.
P. Lopez-Tarifa, M.-A.H. du Penhoat, R. Vuilleumier, M.-P. Gaigeot, U. Rothlisberger, I. Tavernelli, A. Le Padellec, J.-P. Champeaux, M. Alcami, P. Moretto-Capelle, F. Martin, M.-F. Politis
. Cent. Eur. J. Phys., 12(2), 97-102, 2014

    DOI: 10.2478/s11534-014-0428-0
  9. A RRKM study and a DFT assessment on gas-phase fragmentation of formamide-M2+ (M = Ca, Sr).
A. Martin-Somer, M.-P. Gaigeot, M. Yanez, R. Spezia
. Phys. Chem. Chem. Phys., 16(28), 14813-14825, 2014

    DOI: 10.1039/c4cp01756k
  10. MCMC2 (version 1.1) : A Monte Carlo code for multiply-charged clusters.
D.A. Bonhommeau, M. Lewerenz, M.-P. Gaigeot. 
Comput. Phys. Commun., 185(3), 1188-1191, 2014

    DOI: 10.1016/j.cpc.2013.09.026
  11. Density Functional Theory across chemistry, physics and biology Introduction.
T. van Mourik, M. Buhl, M.-P. Gaigeot. 
Philos. T. R. Soc. A, 372(2011, SI), 20120488, 2014

    DOI: 10.1098/rsta.2012.0488
  12. Gas-phase peptide structures unraveled by far-IR spectroscopy : combining IR-UV ion-dip experiments with Born-Oppenheimer Molecular Dynamics Simulations.
S. Jaeqx, J. Oomens, A. Cimas, M.-P. Gaigeot, A.M. Rijs. 
Angew. Chemie. Int. Edit., 53(14), 3663-3666, 2014

    DOI: 10.1002/anie.201311189
  13. Modeling proton-induced damage on 2-deoxy-D-ribose. Conformational analysis.
M.A.H. du Penhoat, P. Lopez-Tarifa, K.K. Ghose, Y. Jeanvoine, M.-P. Gaigeot, R. Vuilleumier, M.-F. Politis, M.C. Bacchus-Montabonel
. J. Mol. Model., 20(5), 2221, 2014

    DOI: 10.1007/s00894-014-2221-9
  14. Liquid-solid interfaces : structure and dynamics from spectroscopy and simulations. Preface.
M.-P.Gaigeot, M. Sulpizi. 
J. Phys.-Condens. Mat., 26(24), 240301, 2014

    DOI: 10.1088/0953-8984/26/24/240301
  15. The amorphous silica-liquid water interface studied by ab initio molecular dynamics (AIMD) : local organization in global disorder.
A. Cimas, F. Tielens, M. Sulpizi, M.-P. Gaigeot, D. Costa
. J. Phys.-Condens. Mat., 26(24), 244106, 2014

    DOI: 10.1088/0953-8984/26/24/244106
  16. Influence of GTP/GDP and magnesium ion on the solvated structure of the protein FtsZ : A Molecular Dynamics Study.
C. Jamous, N. Basdevant, T. Ha-Duong. 
J. Biomol. Struct. Dyn., 32(6), 916-927, 2014

    DOI: 10.1080/07391102.2013.799436
  17. UO22+ uptake by proteins : understanding the binding features of the super uranyl-binding protein (SUP) and design of a protein with higher affinity.
S.O. Odoh, G.C. Bondarevsky, J. Karpus, Q. Cui, C. He, R. Spezia, L. Gagliardi
. J. Am. Chem. Soc., 136, 17484-17494, 2014

    DOI: 10.1021/ja5087563
  18. Structural, energetic and electronic properties of La(III)-DMSO clusters.
E. Bodo, M. Chiricotto, R. Spezia
. J. Phys. Chem. A, 118, 11602-11611, 2014
 
    DOI: 10.1021/jp507312y
  19. Unimolecular fragmentation induced by low energy collision : statistically or dynamically driven.
A. Martin-Somer, M. Yanez, M.-P. Gaigeot, R. Spezia. 
J. Phys. Chem. A, 118, 10882-10893, 2014 

    DOI: 10.1021/jp5076059
  20. Perfluoroalkyl-fluorophosphate anions for high voltage electrolytes in lithium cells : a DFT study. 
M. Carboni, R. Spezia, S. Brutti. 
J. Phys. Chem. C, 118, 24221-24230, 2014 

    DOI: 10.1021/jp505624h
  21. Uranyl-peroxide nanocapsules in aqueous solution : force field development and first applications.
P. Miró, B. Vlaisavljevich, A. Dzubak, S. Hu, P.C. Burns, C.J. Cramer, R. Spezia, L. Gagliardi
. J. Phys. Chem. C, 118, 24730-24740, 2014

    DOI: 10.1021/jp504147s
  22. Distinguishing isobaric phosphate and sulfated carbohydrates by coupling of mass spectrometry with gas phase vibrational spectroscopy.
B. Schindler, J. Joshi, A. Allouche, D. Simon, S. Chambert, V. Brites, M.-P. Gaigeot, I. Compagnon
. Phys. Chem. Chem. Phys., 16, 22131-22138, 2014

    DOI: 10.1039/C4CP02898H
  23. First and second deprotonation of H2SO4 on wet hydroxylated (0001) alpha-quartz.
G. Murdachaew, M.-P. Gaigeot, L. Halonen, R.B. Gerber. 
Phys. Chem. Chem. Phys., 16, 22287-22298, 2014
    
DOI: 10.1039/C4CP02752C
  24. Ab initio ro-vibronic spectroscopy of SiCCl ((X)over-tilde(2)Pi).
V. Brites, A.O. Mitrushchenkov, K.A. Peterson, C. Leonard
. J. Chem. Phys., 141(3), 034305, 2014

    DOI: 10.1063/1.4889933
  25. Galactose-6-Sulfate collision induced dissociation using QM plus MM chemical dynamics simulations and ESI-MS/MS experiments. 
D. Ortiz, J.-Y. Salpin, K. Song, R. Spezia
. Int. J. Mass Spectrom., 358, 25-35, 2014

    DOI: 10.1016/j.ijms.2013.11.002

  Equipe 3  

  1. Perfect additivity of microinterface arrays for liquid-liquid measurements: Application to cadmium ions quantification.
A. Mastouri, S. Peulon, D. Farcage, N. Bellakhal, A. Chaussé. 
Electrochim. Acta, 120, 212-218, 2014

    DOI: 10.1016/j.electacta.2013.12.034
  2. M(II) transfer across a liquid-liquid microinterface facilitated by a complex formation with 8-Hydroxyquinoline : Application to quantification of Pb(II), Cd(II) and Zn(II) alone or in mixture in effluents.
A. Mastouri, S. Peulon, N. Bellakhal, A. Chaussé
. Electrochim. Acta, 130, 818-825, 2014

    DOI: 10.1016/j.electacta.2014.03.073
  3. Performances of carbon-based screen-printed electrodes modified by diazonium salts with various carboxylic functions for trace metal sensors.
 S. Bouden, N. Bellakhal, A. Chaussé, C. Vautrin-Ul
Electrochem. Commun., 41, 68-71, 2014

    DOI: 10.1016/j.elecom.2014.01.028
  4. Correlations between the grafting conditions and the copper detection by diazonium functionalized carbon screen-printed electrodes.
S. Bouden, N. Bellakhal, A. Chaussé, M. Dachraoui, C. Vautrin-Ul
. Electrochim. Acta, 125, 149-155, 2014

    DOI: 10.1016/j.electacta.2014.01.083
  5. Fabrication and characterization of all-covalent nanocomposite functionalized screen-printed voltammetric sensors.
 J.-P. Jasmin, C. Cannizzo, E. Dumas, A. Chaussé. 
Electrochim. Acta, 133, 467-474, 2014

    DOI: 10.1016/j.electacta.2014.04.069
  6. Calix[6]arene mono-diazonium salt synthesis and covalent immobilization onto glassy carbon electrodes.
C. Cannizzo, M. Wagner, J.-P. Jasmin, C. Vautrin-Ul, D. Doizi, C. Lamouroux, A. Chaussé
. Tetrahedron Lett., 55(31), 4315-4318, 2014

    DOI: 10.1016/j.tetlet.2014.06.043
  7. Dynamic aggregation of the mid-sized gadolinium complex {Ph-4[Gd(DTTA)(H2O)(2)](-)(3)}
H. Jaccard, P. Mieville, C. Cannizzo, C.R. Mayer, L. Helm
. J. Biol. Inorg. Chem., 19(2), 145-159, 2014

    DOI: 10.1007/s00775-013-1036-y
  8. Synthesis and characterization of noble metal nanoparticles-oxidized carbonate green rust nanohybrids.
S. Ayadi, L. Legrand
Mater. Res. Bull., 60, 498-506, 2014

    DOI: 10.1016/j.materresbull.2014.09.008
  9. Corrosion of metal iron in contact with anoxic clay at 90 degrees C : characterization of the corrosion products after two years of interaction.
M. Schlegel, C. Bataillon, F. Brucker, C. Blanc, D. Pret, E. Foy, M. Chorro
Appl. Geochem., 51, 1-14, 2014

    DOI: 10.1016/j.apgeochem.2014.09.002
  10. Tritium absorption/desorption in ITER-like tungsten.
A. El-Kharbachi, J. Chêne, S. Garcia-Argote, L. Marchetti, F. Martin, F. Miserque, D. Vrel, M. Redolfi, V. Malard, C. Grisolia, B. Rousseau
Int. J. Hydrogen Energy, 39(20), 10525-10536, 2014

    DOI: 10.1016/j.ijhydene.2014.05.023
  11. Role of copper and aluminum additions on the hydrogen embrittlement susceptibility of austenitic Fe-Mn-C TWIP steels.
T. Dieudonne, L. Marchetti, M. Wery, J. Chêne, C. Allely, P. Cugy, C.P. Scott
Corr. Sci., 82, 218-226, 2014

    DOI: 10.1016/j.corsci.2014.01.022
  12. Sorption and diffusion of organic acids through clayrock: Comparison with inorganic anions.
R.V.H. Dagnelie, M. Descostes, I. Pointeau, J. Klein, B. Grenut, J. Radwan, D. Lebeau, D. Georgin, E. Giffaut. 
J. Hydrol., 511, 619-627, 2014

    DOI: 10.1016/j.jhydrol.2014.02.002 

  Equipe 4  

  1. Ultrasensitive QRS made by supramolecular assembly of functionalized cyclodextrins and graphene for the detection of lung cancer VOC biomarkers.
S. Nag, L. Duarte, E. Bertrand, V. Celton, M. Castro, V. Choudhary, P. Guégan, J.-F. Feller. 
J. Mater. Chem. B, 2(38), 6571-6579, 2014

    DOI: 10.1039/c4tb01041
  2. Lipopolyplexes comprising imidazolefimidazolium lipophosphoramidate, histidinylated polyethyleneimine and siRNA as efficient formulation for siRNA transfection.
C. Goncalves, M. Berchel, M.-P. Gosselin, V. Malard, H. Cheradame, P.-A. Jaffres, P. Guégan, C. Pichon, P. Midoux
. Int. J. Pharmaceut., 460(1-2), 264-272, 2014

    DOI: 10.1016/j.ijpharm.2013.11.005
  3. Paper strengthening by polyaminoalkylalkoxysilane copolymer networks applied by spray or immersion : a model study.
C. Piovesan, A.-L Dupont, I. Fabre-Francke, O. Fichet, B. Lavedrine, H. Cheradame
Cellulose, 21(1), 705-715, 2014

    DOI: 10.1007/s10570-013-0151-9
  4. Degradation of polyurethane ester foam artifacts : chemical properties, mechanical properties and comparison between accelerated and natural degradation.
E. Pellizzi, A. Lattuati-Derieux, B. Lavedrine, H. Cheradame
. Polym. Degrad. Stab., 107(SI), 255-261, 2014

    DOI: 10.1016/j.polymdegradstab.2013.12.018
  5. Influence of pDNA availability on transfection efficiency of polyplexes in non-proliferative cells.
B. Maury, C. Goncalves, G. Tresset, M. Zeghal, H. Cheradame, P. Guegan, C. Pichon, P. Midoux
Biomaterials, 35(22), 5977-5985, 2014

    DOI: 10.1016/j.biomaterials.2014.04.007
  6. Zero-mode waveguide detection of flow-driven DNA translocation through nanopores.
T. Auger, J. Mathé, V. Viasnoff, G. Charron, J.-M. Di Meglio, L. Auvray, F. Montel
. Phys. Rev. Lett., 113(2), 028302, 2014

    DOI: 10.1103/PhysRevLett.113.028302
  7. An overview of the synthesis and gene transfer properties of triblock copolymers poly(2-methyl-2-oxazoline-b-tetrahydrofurane-b-2-methyl-2-Oxazoline).
B. Rasolonjatovo, B. Pitard, P. Guégan, H. Cheradame
. J. Biomater. Nanobiotechnol., 5, 53-65, 2014

    DOI: 10.4236/jbnb.2014.52008
  8. A robust transfection reagent for the transfection of CHO and HEK293 cells and production of recombinant proteins and lentiviral particles-PTG1.
C. Goncalves, F. Gross, P. Guégan, H. Cheradame, P. Midoux
. Biotechnol. J., 9(11, SI), 1380-1388, 2014

    DOI: 10.1002/biot.201400324
  9. Focus on protein unfolding through nanopores.
B. Cressiot, A. Oukhaled, L. Bacri, J. Pelta
. BioNanoScience, 1-8, 2014

    DOI: 10.1007/s12668-014-0128-7
  10. Electroosmosis through α-Hemolysin That Depends on Alkali Cation Type. 
F. Piguet, F. Discala, M.-F. Breton, J. Pelta, L. Bacri, A. Oukhaled
. J. Phys. Chem. Lett., 5, 4362-4367, 2014

    DOI: 10.1021/jz502360c
  11. FIB patterning of dielectric, metallized and graphene membranes : A comparative study. 
A. Hemamouche, A. Morin, E. Bourhis, B. Toury, E. Tarnaud, J. Mathé, P. Guégan, A. Madouri, X. Lafosse, C. Ulysse, S. Guilet, G. Patriarche, L. Auvray, F. Montel, Q. Wilmart, B. Plaçais, J. Yates, J. Gierak
. Microelectron. Eng., 121, 87, 2014

    DOI: 10.1016/j.mee.2014.03.020
  12. Evidence of unfolded protein translocation through a protein nanopore.
M. Pastoriza-Gallego, M.-F.Breton, F. Discala, L. Auvray, J.M. Betton, J. Pelta
. ACS Nano, 8(11):11350-60, 2014

    DOI: 10.1021/nn5042398
  13. The cellular activity of cucurbitacin I is inhibited by glycosylation.
M.S. Hassoun, M.J. Clément, M. Cailleret, N. Jarroux, I. Hamdi, V. Joshi, H. Merzouk, D.C. Sari, P.A. Curmi
. Planta Med., 80(16), 1452, 2014

    DOI: 10.1055/s-0034-1394786
  14. Flow injection of DNA in nanopores : direct optical visualization of a pressure threshold.
T. Auger, J. Mathé, V. Viasnoff, J.M. di Meglio, L. Auvray, F. Monte
. Biophys. J., 106(2), 211A-211A, 2014

    DOI: 10.1016/j.bpj.2013.11.1239

2013

  Equipe 1  

  1. Interaction of cisplatin with adenine and guanine: a combined IRMPD, MS/MS and theoretical study.B. Chiavarino, M.-E. Crestoni, S. Fornarini, D. Scuderi, J.-Y. SalpinJ. Am. Chem. Soc., 135(4), 1445-1455, 2013
    DOI: 10.1021/ja309857d
  2. Unimolecular reactivity of the [urea-Sr]2+ complex, a metastable dication in the gas phase. An experimental and theoretical perspective.A. Eizaguirre, O. Mó, M. Yáñez, J. Tortajada, J.-Y. SalpinJ. Phys. Chem. B, 117, 2088-2095, 2013
    DOI: 10.1021/jp312466t
  3. Gas-phase interactions of organotin compounds with glycine.L. Latrous, J. Tortajada, V. Haldys, E. Léon, C. Correia, J.-Y. SalpinJ. Mass Spectrom., 48 (7), 795-806, 2013
    DOI: 10.1002/jms.3223
  4. Modeling interactions between an amino acid and a metal dication : Cysteine-Calcium(II) reactions in the gas phase.M. Hurtado, M. Monte, A.M. Lamsabhi, M. Yanez, O. Mo, J.-Y. SalpinCHEMPLUSCHEM, 78(9, Special Issue: SI), 1124-1133, 2013
    DOI: 10.1002/cplu.201300166
  5. Expression of recombinant human complement C1q allows identification of the C1r/C1s-binding sites.I. Bally, S. Ancelet, C. Moriscot, F. Gonnet, A. Mantovani, R. Daniel, G. Schoehn, G.J. Arlaud, N. ThielensProc. Natl Acad. Sci. U S A, 110(21), 8650-8655, 2013
    DOI: 10.1073/pnas.1304894110
  6. Capillary zone electrophoresis and capillary electrophoresis-mass spectrometry for analyzing qualitative and quantitative variations in therapeutic albumin.A.-L. Marie, C. Przybylski, F. Gonnet, R. Daniel, R. Urbain, G. Chevreux, S. Jorieux, M. TavernaAnal. Chim. Acta, 800, 103-110, 2013
    DOI: 10.1016/j.aca.2013.09.023
  7. HSulf sulfatases catalyze processive and oriented 6-O-desulfation of heparan sulfate that differentially regulates fibroblast growth factor activity.A. Seffouh, F. Milz, C. Przybylski, C. Laguri, A. Oosterhof, S. Bourcier, R. Sadir, E. Dutkowski, R. Daniel, T.H. van Kuppevelt, T. Dierks, H. Lortat-Jacob, R.R. VivèsFASEB J., 27(6), 2431-2439, 2013
    DOI: 10.1096/fj.12-226373
  8. Brassinosteroid signaling regulates cell fate specification during stomata development in Arabidopsis thaliana.M. Khan, W. Rozhon, J. Bigeard, D. Pflieger, S. Husar, A. Pitzschke, C. Jonak, H. Hirt, B. PoppenbergerJ. Biol. Chem., 288(11), 7519-27, 2013
    DOI: 10.1074/jbc.M112.384453
  9. Discrimination of cyclic and linear oligosaccharides by tandem mass spectrometry using collision-induced dissociation (CID), pulsed-Q-dissociation (PQD) and the higher-energy C-trap dissociation modes.C. Przybylski, V. BonnetRapid Commun. Mass Spectrom., 27(1), 75-87, 2013
    DOI: 10.1002/rcm.6422
  10. Factorial design optimization of experimental variables in preconcentration of carbamates pesticides in water samples using solid phase extraction and liquid chromatography-electrospray-mass spectrometry determination.L. Latrous El Atrache, R. Ben Sghaier, B. Bejaoui Kefi, V. Haldys, M. Dachraoui, J. TortajadaTalanta, 117, 392-398, 2013
    DOI: 10.1016/j.talanta.2013.09.032
  11. Structural determinants for protein adsorption/non-adsorption to silica surface.C. Mathe, S. Devineau, J.-C. Aude, G. Lagniel, S. Chedin, V. Legros, M.-H. Mathon, J.-P. Renault, S. Pin, Y. Boulard, J. LabarrePLOS ONE, 8(11), e81346, 2013
    DOI: 10.1371/journal.pone.0081346
  12. MgATP regulates allostery and fiber formation in IMPDHs.G. Labesse, T. Alexandre, L. Vaupré, I. Salard-Arnaud, J. Lai Kee Him, B. raynal, P. Bron, H. Miner-LehmannStructure, 21(6), 975-985 2013
    DOI: 10.1016/j.str.2013.03.011
  13. Reactivity of lanthanoid mono-cations with ammonia : a combined inductively coupled plasma mass spectrometry, and computational investigation.A. Quemet, P. Vitorge, A. Cimas, S. Liu, J.-Y. Salpin, C. Marsden, J. Tortajada, L. Gagliardi, R. Spezia, M.-P. Gaigeot, R. BrennetotInt. J. Mass Spectrom., 334, 27-37, 2013
    DOI: 10.1016/j.ijms.2012.10.005
  14. Gas-phase Collision Induced Dissociation mechanisms of a peptide model : A combined chemical dynamics and experimental study.D. Ortiz, P. Martin-Gago, A. Riera, K. Song, J.-Y. Salpin, R. SpeziaInt. J. Mass Spectrom., 335, 33-44, 2013
    DOI: 10.1016/j.ijms.2012.11.001
  15. Kinetics of enzymatic degradation of high molecular weight polysaccharides through a nanopore : experiments and data-modeling.A. Fennouri, R. Daniel, M. Pastoriza-Gallego, L. Auvray, J. Pelta, L. BacriAnal. Chem., 85(8), 8488-8492, 2013
    DOI: 10.1021/ac4020929
  16. Birnessite electrodeposited : a new design of material for remediation processes?M. Ndjeri, A. Pensel, S. Peulon, V. Haldys, B. Desmazières, A. ChausséColloid. Surface A, 435, 154-169, 2013
    DOI: 10.1016/j.colsurfa.2013.01.022
  17. Formation of MSeO4(aq) complexes (M2+=Mg2+, Co2+, Ni2+, Cu2+, Cd2+) studied as a function of temperature by affinity capillary electrophoresis.V. Philippini, J. Aupiais, T. VercouterElectrophoresis, 34(4), 541-551, 2013
    DOI: 10.1002/elps.201200378
  18. Correction to “Interaction of cisplatin with adenine and guanine : a combined IRMPD, MS/MS and theoretical study”.B. Chiavarino, M.-E. Crestoni, S. Fornarini, D. Scuderi, J.-Y. SalpinJ. Am. Chem. Soc., 135(29), 10877-10877, 2013
    DOI: 10.1021/ja405235n

  Equipe 2  

  1. Anharmonic vibrations of N-H in Cl- (N-methylacetamide)(1)(H2O)(0-2)Ar-2 cluster ions. Combined IRPD experiments and BOMD simulations.
J.P. Beck, M.-P. Gaigeot, J.M. Lisy
Phys. Chem. Chem. Phys., 15(39), 16736-16745, 2013

    DOI: 10.1039/c3cp52418c
  2. Easy eco-friendly phenonium ion production from phenethyl alcohols in dimethyl carbonate.
M. Barontini, I.P. Silvestri, V. Nardi, P. Bovicelli, L. Pari, F. Gallucci, R. Spezia, G. Righi
Tetrahedron Lett., 54(37), 5004-5006, 2013

    DOI: 10.1016/j.tetlet.2013.06.122
  3. Hydration properties and ionic radii of Actinide(III) ions in aqueous solution.
P. D'Angelo, F. Martelli, R. Spezia, A. Filipponi, M.A. Denecke
Inorg. Chem., 52(18), 10318-10324, 2013

    DOI: 10.1021/ic400678u
  4. pK(a) of silicic acid in presence of La3+ using single sweep method coupled to DFT-based molecular dynamics. 
R. Spezia, R. Vuilleumier. 
Mol. Phys., 111(22-23, SI), 3478-3485, 2013

    DOI: 10.1080/00268976.2013.848300
  5. Ultrafast damage following radiation-induced oxidation of uracil in aqueous solution.
 P. Lopez-Tarifa, M.-P. Gaigeot, R. Vuilleumier, I. Tavernelli, M. Alcami, F. Martin, M.A. Hervé du Penhoat, M.-F. Politis
Angew. Chemie. Int. Edit., 52, 3160-3163, 2013

    DOI: 10.1002/anie.201208038
  6. Dissociation of HCl into ions on wet hydroxylated (0001) alpha-Quartz.
G. Murdachaew, M.-P. Gaigeot, L. Halonen, R.B. Gerber
. J. Phys. Chem. Lett., 4(20), 3500-3507, 2013

    DOI: 10.1021/jz4017969
  7. Computational study of the peptide bond formation in the gas phase through ion-molecule reactions.
P. Redondo, H. Martínez, A. Cimas, C. Barrientos, A. Largo
. Phys. Chem. Chem. Phys., 15, 13005-13012, 2013

    DOI: 10.1039/C3CP51535D
  8. Formation of the OOH(.) radical at steps of the boehmite surface and its inhibition by gallic acid : A theoretical study including DFT-based dynamics.
T. Ribeiro, A. Motta, P. Marcus, M.-P. Gaigeot, X. Lopez, D. Costa
J. Inorg. Biochem., 128(SI), 164-173, 2013

    DOI: 10.1016/j.jinorgbio.2013.07.024
  9. Accurate evaluation of the angular-dependent direct correlation function of water.
S.L. Zhao, L.H. Liu, R. Ramirez, D. Borgis
J. Chem. Phys., 139(3), 034503, 2013

    DOI: 10.1063/1.4813400
  10. Theoretical investigations on CaO ions: vibronic states and photoelectron spectroscopy.
H. Khalil, F. Le Quere, C. Leonard, V. Brites
J. Phys. Chem. A, 117(44), 11254-11260, 2013

    DOI: 10.1021/jp407811c
  11. Rovibrational energies of B2H2 () from an explicitly correlated potential energy surface
V. Brites, C. Leonard
Comput. Theor. Chem., 1025, 24-29, 2013

    DOI: 10.1016/j.comptc.2013.09.027
  12. Reactivity of lanthanoid mono-cations with ammonia: a combined inductively coupled plasma mass spectrometry, and computational investigation. 
A. Quemet, P. Vitorge, A. Cimas, S. Liu, J.-Y. Salpin, C. Marsden, J. Tortajada, L. Gagliardi, R. Spezia, M.-P. Gaigeot, R. Brennetot
Int. J. Mass Spectrom., 334, 27-37, 2013
    DOI: 10.1016/j.ijms.2012.10.005
  13. Gas-phase Collision Induced Dissociation mechanisms of a peptide model: A combined chemical dynamics and experimental study.
 D. Ortiz, P. Martin-Gago, A. Riera, K. Song, J.-Y. Salpin, R. Spezia
Int. J. Mass Spectrom., 335, 33-44, 2013
    DOI: 10.1016/j.ijms.2012.11.001
  14. Conical intersection structure and dynamics for a model protonated schiff base photoisomerization in solution. J.P. Malhado, R. Spezia, J.T. Hynes Int. J. Quantum Chem., 113(3), 296-305, 2013
    DOI: 10.1002/qua.24095 
  15. MCMC2: a Monte Carlo code for multiply-charged clusters. D.A. Bonhommeau, M.-P. Gaigeot Comput. Phys. Commun., 184(3), 873-884, 2013
    DOI: 10.1016/j.cpc.2012.10.023
  16. Lanthanoids(III) and actinoids(III) in water: diffusion coefficients and hydration enthalpies from polarizable molecular dynamics simulations. F. Martelli, S. Abadie, J.-P. Simonin, R. Vuilleumier, R. Spezia Pure Appl. Chem., 85(1),237-246, 2013
    DOI: 10.1351/PAC-CON-12-02-08
  17. Ultrafast damage following radiation-induced oxidation of uracil in aqueous solution. P. Lopez-Tarifa, M.-P. Gaigeot, R. Vuilleumier, I. Tavernelli, M. Alcami, F. Martin, M.A. Hervé du Penhoat, M.-F. Politis Angew. Chemie. Int., 52, 3160-3163, 2013
    DOI: 10.1002/ange.201208038 
  18. Liquid methanol from DFT and DFT/MM Molecular Dynamics Simulations. N. Sieffert, M. Bühl, M.-P. Gaigeot, C.A. Morrison J. Chem. Theory. Comput., 9, 106, 2013
    DOI: 10.1021/ct300784x
  19. VSFG spectrum of the liquid water-vapor interface from Density Functional Theory based Molecular Dynamics Simulations. L. Sulpizi, M. Salanne, M. Sprik, M.-P. Gaigeot. J. Phys. Chem. Lett., 4, 83-87, 2013
    DOI: 10.1021/jz301858g
  20. K-edge XANES investigation of octakis(DMSO)lanthanoid(III) complexes in DMSO solution and solid iodides. P. D’Angelo, V. Migliorati, R. Spezia, S .De Panfilis, I. Persson, A. Zitolo Phys. Chem. Chem. Phys., 15, 8684-8691,2013
    DOI: 10.1039/C3CP50842K
  21. Modelling protein-protein recognition in solution using the coarse-grained force-field SCORPION. N. Basdevant, D. Borgis, T. Ha-Duong J. Chem. Theory Comput., 9, 803-813, 2013
    DOI: 10.1021/ct300943w
  22. Influence of GTP/GDP and magnesium ion on the solvated structure of the protein FtsZ : A Molecular Dynamics Study C. Jamous, N. Basdevant, T. Ha-Duong J. Biomol. Struc. Dyn. In Press, 2013,
    DOI: 10.1080/07391102.2013.799436
  23. O-H anharmonic vibrational motions in Cl- … (CH3OH)1-2 ionic clusters. Combined IRPD experiments and AIMD simulations. J. P. Beck, A. Cimas, J. M. Lisy, M.-P. Gaigeot Spectrochim. Acta A, in press, 2013. 
    DOI: 10.1016/j.saa.2013.05.073 

  Equipe 3  

  1. Improved performance of anode with Iron/Sulfur-modified graphite in microbial fuel cell.
L. Bouabdalaoui, L. Legrand, D. Féron, A. Chaussé
Electrochem. Commun., 28, 1-4, 2013

    DOI: 10.1016/j.elecom.2012.11.023
  2. Trace lead analysis based on carbon-screen-printed-electrodes modified via 4-carboxy-phenyl diazonium salt electroreduction.
S. Bouden, A. Chaussé, S. Dorbes, O. El Tal, N. Bellakhal, M. Dachraoui, C. Vautrin-Ul
Talanta, 106, 414-421, 2013

    DOI: 10.1016/j.talanta.2013.01.021
  3. Nanocrystallized SnO2 thin films deposited on Si and LaAlO3 substrates by pulsed-MOCVD technique for electrochemical applications.
R. Drevet, C. Legros, D. Berardan, P. Ribot, A. Chaussé, M. Andrieux
Surf. Coat. Tech., 230, 180-185, 2013

    DOI: 10.1016/j.surfcoal.2013.06.033
  4. Degradation of glyphosate and AMPA (amino methylphosphonic acid) solution by thin films of birnessite electrodeposited : a new design of material for remediation processes?
M. Ndjeri, A. Pensel, S. Peulon, V. Haldys, B. Desmazières, A. Chausd. Surface A, 435, 154-169, 2013

    DOI: 10.1016/j.colsurfa.2013.01.022
  5. Simultaneous deuterium implantation and ion beam microanalyses in CFC NB31: Understanding the in-bulk migration.
E. Bernard, H. Khodja, J. Chêne, B. Pegourie, C. Martin, C. Pardanaud
J. Nucl. Mater., 438, S975-S978, 2013

    DOI: 10.1016/j.jnucmat.2013.01.212
  6. Binding mechanism of Cu(II) at the clay-water interface by powder and polarized EXAFS spectroscopy.
M.L. Schlegel, A. Manceau
Geochim. Cosmochim. Acta, 113, 113-124, 2013

    DOI: 10.1016/j.gca.2013.03.019
  7. Fluorescent labeling of a bis-urea based supramolecular polymer.
P. Ribagnac, C. Cannizzo, R. Méallet-Renault, G. Clavier, P. Audebert, R. Pansu, L. Bouteiller
J. Phys. Chem. B, 117(6), 1958-1966, 2013

    DOI: 10.1021/jp307829x
  8. Formation of MSeO4(aq) complexes (M2+=Mg2+, Co2+, Ni2+, Cu2+, Cd2+) studied as a function of temperature by affinity capillary electrophoresis.
V. Philippini, J. Aupiais, T. Vercouter
Electrophoresis, 34(4), 541-551, 2013

    DOI: 10.1002/elps.201200378
  9. Improved performance of anode with Iron/Sulfur-modified graphite in microbial fuel cell. L. Bouabdalaoui, L. Legrand, D. Féron, A. Chaussé Electrochem. Commun., 28, 1-4, 2013
    DOI: 10.1016/j.elecom.2012.11.023
  10. New one-pot synthesis of Au and Ag nanoparticles using green rust reactive particle as a microreactor. S. Ayadi, C. Perca, L. Legrand Nanoscale Res. Lett., 8(95), 2013
    DOI: 10.1186/1556-276X-8-95
  11. Characterisation of oxygen and hydrogen migration through oxide scales formed on nickel-base alloys in PWR primary medium conditions. F. Jambon, L. Marchetti, F. Jomard, J. Chêne Solid State Ionics, 231, 69-73, 2013
    DOI: 10.1016/j.ssi.2012.10.012

  Equipe 4  

  1. Novel aliphatic polyesters from an oleic acid based monomer. Synthesis, epoxidation, cross-linking and biodegradation. 
P.-J. Roumanet, F. Laflèche, N. Jarroux, Y. Raoul, S. Claude, P. Guégan. 
Eur. Polym. J., 49(4), 813-822, 2013

    DOI: 10.1016/j.eurpolymj.2012.08.002
  2. Biomimetic artificial ion channels based on beta-cyclodextrin.
 Y. El Ghoul, R. Renia, I. Faye, S. Rassou, N. Badi, V. Bennevault-Celton, C. Huin, P. Guégan. 
Chem. Commun., 49(99), 11647-11649, 2013

    DOI: 10.1039/c3cc47071g
  3. Anionic ring-opening polymerization of ethylene oxide in DMF with cyclodextrin derivatives as new initiators. 
C. Huin, Z. Eskandani, N. Badi, A. Farcas, V. Bennevault-Celton, P. Guégan
. Carbohydr. Polym., 94(1), 323-331, 2013

    DOI: 10.1016/j.carbpol.2012.12.062
  4. Exploration of neutral versus polyelectrolyte behavior of poly(ethylene glycol)s in alkali ion solutions using single-nanopore recording.
 M.-F. Breton, F. Discala, L. Bacri, D. Foster, J. Pelta, A.G. Oukhaled. 
J. Phys. Chem. Lett., 4(13), 2202-2208, 2013

    DOI: 10.1021/jz400938q
  5. Synthesis and electro-optical properties of polyfluorene modified with randomly distributed electron-donor and rotaxane electron-acceptor structural units in the main chain.
A. Farcas, S. Janietz, V. Harabagiu, P. Guegan, P.-H. Aubert
J. Polym. Sci. A Polym. Chem., 51(7), 1672-1683, 2013

    DOI: 10.1002/pola.26546
  6. Kinetics of enzymatic degradation of high molecular weight polysaccharides through a nanopore : experiments and data-modeling.
A. Fennouri, R. Daniel, M. Pastoriza-Gallego, L. Auvray, J. Pelta, L. Bacri
Anal. Chem., 85(8), 8488-8492, 2013

    DOI: 10.1021/ac4020929
  7. Kinetics of enzymatic degradation of high molecular weight polysaccharides through a nanopore : experiments and data-modeling.
A. Fennouri, R. Daniel, M. Pastoriza-Gallego, L. Auvray, J. Pelta, L. Bacri
Anal. Chem., 85(8), 8488-8492, 2013

    DOI: 10.1021/ac4020929
  8. Novel aliphatic polyesters from an oleic acid based monomer. Synthesis, epoxidation, cross-linking and biodegradation. P.-J. Roumanet, F. Laflèche, N. Jarroux, Y. Raoul, S. Claude, P. Guégan Eur. Polym. J., 49(4), 813-822, 2013
    DOI:10.1016/j.eurpolymj.2012.08.002
  9. Exploration of neutral versus polyelectrolyte behavior of poly(ethylene glycol)s in alkali ion solutions using single-nanopore recording. M.-F. Breton, F. Discala, L. Bacri, D. Foster, J. Pelta, A.G. Oukhaled J. Phys. Chem. Lett., 4(13), 2202-2208, 2013
    DOI:10.1021/jz400938q
  10. Anionic ring-opening polymerization of ethylene oxide in DMF with cyclodextrin derivatives as new initiators. C. Huin, Z. Eskandani, N. Badi, A. Farcas, V. Bennevault-Celton, P. Guégan Carbohydr. Polym., 94(1), 323-331, 2013
    DOI: 10.1016/j.carbpol.2012.12.062

Publications 2008-2012

2012

  Equipe 1  

  1. Gas-phase basicities of polyfunctional molecules. Part 2 : Saturated basic sites.G. Bouchoux, J.-Y. SalpinMass Spectrom. Rev., 31(3), 353-390, 2012
  2. Modelling peptide-metal dication interactions : Formamide-Ca2+ reactions in the gas phase.A. Eizaguirre, O. Mó, M. Yáñez, J.-Y. Salpin, J. TortajadaOrg. Biomol. Chem. 10(37) 11752-11761, 2012
  3. Critical parameters for the analysis of anionic oligosaccharides by desorption electrospray ionization (DESI) mass spectrometry.C. Przybylski, F. Gonnet, W. Buchmann, R. DanielJ. Mass Spectrom., 47(8), 1047-1058, 2012
  4. Desorption electrospray ionization - orbitrap mass spectrometry of synthetic polymers and copolymers.M. Friia, V. Legros, J. Tortajada, W. BuchmannJ. Mass Spectrom., 47(8), 1023-1033, 2012
  5. Production of functional full-length recombinant human C1q.I. Bally, S. Ancelet, C. Moriscot, F. Gonnet, R. Daniel, G. Schoehn, G. J. Arlaud, N. ThielensImmunobiology, 217(11), 1194, 2012
  6. The interactome of the amyloid precursor protein APP in brain reveals a protein network involved in synaptic vesicle turnover and a close association with synaptotagmin1.B.M. Kohli, D. Pflieger, L.N. Mueller, G. Carbonetti, R. Aebersold, R.M. Nitsch, U. KonietzkoJ. Proteome Res., 11(8), 4075-4090, 2012
  7. Automated phosphopeptide identification using multiple MS/MS fragmentation modes.M. Vandenbogaert, V. Hourdel, O. Jardin-Mathé, J. Bigeard, L. Bonhomme, V. Legros, H. Hirt, B. Schwikowski, D. PfliegerJ. Proteome Res., 11(12), 5695-703, 2012

  Equipe 2  

  1. Charge localization in multiply charged clusters and their electrical properties : Some insights into electrospray droplets. D.A. Bonhommeau, R. Spezia, M.-P. Gaigeot J. Chem. Phys., 136(18), 184503-10, 2012
  2. Liquid-solid interfaces : structure and dynamics from spectroscopy and simulations PREFACE. M.-P. Gaigeot, M. Sulpizi J. Phys.-Condens. Mat., 24(12), 120301-2, 2012
  3. Oxide/water interfaces: how the surface chemistry modifies interfacial water properties. M.-P. Gaigeot, M. Sprik, M. Sulpizi J. Phys.-Condens. Mat., 24(12), 124106, 2012
  4. The Silica-Water interface : How the silanols determine the surface acidity and modulate the water properties. M. Sulpizi, M.-P. Gaigeot, M. Sprik J. Chem. Theory Comput., 8(3), 1037-1047, 2012
  5. Improving anharmonic infrared spectra using semiclassically prepared molecular dynamics simulations. N.T. Van-Oanh, C. Falvo, F. Calvo, D. Lauvergnat, M. Basire, M.-P. Gaigeot, P. Parneix Phys. Chem. Chem. Phys., 14(7), 2381-2390, 2012
  6. Unravelling the hydration structure of ThX4 (X = Br, Cl) water solutions by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy. R. Spezia, C. Beuchat, R. Vuilleumier, P. D'Angelo, L. Gagliardi J. Phys. Chem. B, 116(22), 6465-6475, 2012
  7. Phosphorylation controls the interaction of the Connexin43 C-terminal domain with tubulin and microtubules. A.S. Brikci-Nigassa, M.-J. Clement, T. Ha-Duong, E. Adjadj, L. Ziani, D. Pastre, P.A. Curmi, P. Savarin Biochemistry, 51(21), 4331-4342, 2012
  8. Molecular Density Functional Theory : Application to solvation and electron-transfer thermodynamics in polar solvents. D. Borgis, L. Gendre, R. Ramirez J. Phys. Chem. B, 116(8), 2504-2512, 2012
  9. Hydration of Lanthanoids(III) and Actinoids(III) : a theoretical/experimental saga. P. D’Angelo, R. Spezia Chem. Eur. J., 18(36), 11162-11178, 2012
  10. Electronic structure and bonding of lanthanoid(III) carbonates. Y. Jeanvoine, P. Miro, F. Martelli, C.J. Cramer, R. Spezia Phys. Chem. Chem. Phys., 14(43), 14822-14831, 2012
  11. Varying the charge of small cations in liquid water : Structural, transport and thermodynamical properties. F. Martelli, R. Vuilleumier, J.-P. Simonin, R. Spezia J. Chem. Phys., 137(16), 164501, 2012 (IF 2011 = 3,333) Structure and stability of charged clusters M.A. Miller, D.A. Bonhommeau, C.J. Heard, Y. Shin, R. Spezia, M.-P. Gaigeot J. Phys.-Cond. Matter., 24(28), 284130, 2012
  12. AIMD of the AlOOH boehmite/water interface : role of steps in interfacial Grotthus proton transfers. A. Motta, M.-P. Gaigeot, D. Costa J. Phys. Chem. C, 116(23), 12514-12514, 2012
  13. AIMD evidence of inner sphere adsorption of glycine on a stepped AlOOH surface. A. Motta, M.-P. Gaigeot, D. Costa J. Phys. Chem. C, 116(44), 23418-23427, 2012
  14. Liquid water ionization by fast electron impact : a multiple differential study for the 1B(1) orbital. M.L de Sanctis, M.-F. Politis, R. Vuilleumier, C.R. Stia, O.A. Fojon J. Phys. B : At. Mol. Opt. Phys., 45(4), 045206, 2012
  15. La spéciation en toxicologie. C. Bresson, F. Chartier, E. Ansoborlo L’Actualité Chimique, 367-368, 2012

  Equipe 3  

  1. Kinetics of oxidation and dissolution of uranium dioxide in aqueous acid solutions. C. Gaulard-Balandret, N. Larabi-Gruet, F. Miserque, J. Radwan, C. Ferry, A. Chaussé Electrochim. Acta, 83, 471-477, 2012
  2. Microbial catalysis of the oxygen reduction reaction for microbial fuel cells : A review. B. Erable, D. Féron, A. Bergel Chemsuschem., 5(6), 975-987, 2012 
  3. Hydrogen trapping by VC precipitates and structural defects in a high strength Fe-Mn-C steel studied by small-angle neutron scattering. B. Malard, B. Remy, C. Scott, A. Deschamps, J. Chêne, T. Dieudonne, M.H. Mathon Mat. Sci. Eng. A-Struct., 536, 110-116, 2012

  Equipe 4  

  1. Gene transfer by chemical vectors, and endocytosis routes of polyplexes, lipoplexes and lipopolyplexes in a myoblast cell line. L. Billiet, J.-P. Gomez, M. Berchel, P.-A. Jaffres, T. Le Gall, T. Montier, E. Bertrand, H. Cheradame, P. Guégan, M. Mevel, B. Pitard, T. Benvegnu, P. Lehn, C. Pichon, P. Midoux Biomaterials, 33(10), 2980-2990, 2012
  2. Trans-endothelial passage of chemical vectors in a skeletal muscle endothelium model : Effect of inflammatory cytokines. J.-P. Gomez, P.-A. Jaffres, H. Cheradame, P. Guégan, B. Pitard, P. Lehn, C. Pichon, P. Midoux Hum. Gene Ther., 23(10), A140-A140, 2012
  3. PTG1.L, a new powerful reagent for the production of recombinant lentiviral vectors. F. Gross, P. Guégan, H. Cheradame, P. Midoux Hum. Gene Ther., 23(10), A148-A148, 2012
  4. Strengthening of degraded cellulosic material using a diamine alkylalkoxysilane. Z. Souguir, A.-L. Dupont, K. Fatyeyeva, G. Mortha, H. Cheradame, S. Ipert, B. Lavedrine RSC Advances, 2(19), 7470-7478, 2012
  5. Reinforcement properties of 3-aminopropylmethyldiethoxysilane and N-(2-Aminoethyl)-3-aminopropylmethyldimethoxysilane on polyurethane ester foam. E. Pellizzi, A. Lattuati-Derieux, J.-B.D. de Lacaillerie, B. Lavedrine, H. Cheradame Polym. Degrad. Stabil., 97(11), 2340-2346, 2012
  6. Synthesis of Poly(2-methyl-2-oxazoline) star polymers with a β-cyclodextrin core. G. Pereira, C. Huin, S. Morariu, V. Bennevault-Celton, P. Guégan Aust. J. Chem., 65(8), 1145-1155, 2012
  7. Photocontrol of the translocation of molecules, peptides, and quantum dots through cell and lipid membranes doped with azobenzene copolymers. S.C. Sebai, D. Milioni, A. Walrant, I.D. Alves, S. Sagan, C. Huin, L. Auvray, D. Massotte, S. Cribier, C. Tribet Angew. Chem. Int. Edit., 51(9), 2132-2136, 2012
  8. Wild type, mutant protein unfolding and phase transition detected by single-nanopore recording. C. Merstorf, B. Cressiot, M. Pastoriza-Gallego, A.G. Oukhaled, J.-M. Betton, L. Auvray, J. Pelta ACS Chem. Biol., 7(4), 652-658, 2012
  9. Thermal unfolding of proteins probed at the single molecule level using nanopores. L. Payet, M. Martinho, M. Pastoriza-Gallego, J.-M. Betton, L. Auvray, J. Pelta, J. Mathé Anal. Chem., 84(9), 4071-4076, 2012
  10. Transport of long neutral polymers in the semidilute regime through a protein nanopore. A.G. Oukhaled, A.-L. Biance, J. Pelta, L. Auvray, L. Bacri Phys. Rev. Lett., 108(8), 088104, 22 2012
  11. The richness of the eye of a needle. Comment on "Nanopores : a journey towards DNA sequencing". J. Mathé Phys. Life Rev., 9(2), 159-160, 2012
  12. Protein transport through a narrow solid-state nanopore at high voltage : Experiments and theory. B. Cressiot, A. Oukhaled, G. Patriarche, M. Pastoriza, J.-M. Betton, L. Auvray, M. Muthukumar, L. Bacri, J. Pelta ACS Nano, 6(8), 6236-6243, 2012
  13. Mapping the conformational stability of maltose binding protein at the residue scale using nuclear magnetic resonance hydrogen exchange experiments. C. Merstorf, O. Maciejak, J. Mathé, M. Pastoriza-Gallego, B. Thiebot, M.J. Clément, J. Pelta, L. Auvray, P. Curmi, P. Savarin Biochemistry, 61(44), 891-930, 2012
  14. FIB carving of nanopores into suspended graphene films. A. Morin, D. Lucot, A. Ouerghi, G. Patriarche, A. Bourhis, Madouri, C. Ulysse, J. Pelta, L. Auvray, R. Jede, L. Bruchhaus, J. Gierak Microelectron. Eng., 97, 311-316, 2012
  15. Sensing proteins through nanopores : Fundamental to applications. A. Oukhaled, L. Bacri, M. Pastoriza-Gallego, J.-M. Betton, J. Pelta ACS Chem. Biol., 7(12), 1935-1949, 2012
  16. Nanohardness and brittleness of irradiated spinel ceramics. J. Jagielski, P. Aubert, O. Maciejak, A. Piatkowska, S. Labdi, I. Jozwik-Biala, P. Jozwik, A. Wajler Nucl. Instrum. Meth. B, 286, 196, 2012

2011

  Equipe 1  

  1. Identification of organotin compounds in Tunisian surface water by liquid chromatography-electrospray-tandem mass spectrometry.L. Latrous El Atrache, J. Tortajada, M. DachraouiDesalin. Water Treat., 36(1-3), 89-98, 2011
  2. APCI/APPI for synthetic polymer analysis.P. Terrier, B. Desmazières, J. Tortajada, W. BuchmannMass Spectrom. Rev., 30(5), 854-874, 2011
  3. Direct evidence for tautomerization of the Uracil moiety within the Pb(2+)/Uridine-5 '-monophosphate complex : A combined tandem mass spectrometry and IRMPD study.J.-Y. Salpin, S. Guillaumont, D. Ortiz, J. Tortajada, P. MaitreInorg. Chem., 50(16), 7769-7778, 2011
  4. Structure of Pb(2+)/dCMP and Pb(2+)/CMP complexes as characterized by tandem mass spectrometry and IRMPD spectroscopy.J.-Y. Salpin, L. Gamiette, J. Tortajada, T. Besson, P. MaitreInt. J. Mass Spectrom., 304(2-3), 154-164, 2011
  5. Modeling the interactions between peptide functions and Sr2+ : Formamide-Sr2+ reactions in the gas phase.A. Eizaguirre, O. Mó, M. Yáñez, J.-Y. SalpinPhys. Chem. Chem. Phys., 13(41), 18409-18417, 2011
  6. Unimolecular reactivity upon collision of uracil-Ca(2+) complexes in the gas phase : Comparison with uracil-M(+) (M = H, alkali metals) and uracil-M(2+) (M = Cu, Pb) systems.C. Trujillo, A. Lamsabhi, O. Mo, M. Yanez, J.-Y. SalpinInt. J. Mass Spectrom., 306(1), 27-36, 2011
  7. Performance evaluation on a wide set of matrix-assisted laser desorption ionization matrices for the detection of oligosaccharides in a high-throughput mass spectrometric screening of carbohydrate depolymerizing enzymes.D. Ropartz, P.-E. Bodet, C. Przybylski, F. Gonnet, R. Daniel, M. Fer, W. Helbert, D. Bertrand, H. RogniauxRapid Commun. Mass Spectrom., 25(14), 2059-2070, 2011
  8. Linking the proteins-elucidation of proteome-scale networks using mass spectrometry.D. Pflieger, F. Gonnet, S.D. van Bentem, H. Hirt, A. de la FuenteMass Spectrom. Rev., 30(2), 268-297, 2011
  9. Isolation and characterization of plant protein complexes by mass spectrometry.D. Pflieger, J. Bigeard, H. HirtProteomics, 11(9), 1824-1833, 2011
  10. Toward a more accurate structural determination of high molecular weight polyrotaxanes based on cyclodextrins by MALDI-TOF MS.C. Przybylski, F. Blin, N. JarrouxMacromolecules, 44(7), 1821-1830, 2011
  11. A new cytochrome P450 belonging to the 107L subfamily is responsible for the efficient hydroxylation of the drug terfenadine by Streptomyces platensis.M. Lombard, I. Salard, M.-A. Sari, D. Mansuy, D. BuissonArch. Biochem. Biophys., 508(1), 54-63, 2011

  Equipe 2  

  1. Ultrafast nonadiabatic fragmentation dynamics of doubly charged Uracil in a gas phase. P. Lopez-Tarifa, M.-A.H. du Penhoat, R. Vuilleumier, M.-P. Gaigeot, I. Tavernelli, A. Le Padellec, J.-P. Champeaux, M. Alcami, P. Moretto-Capelle, F. Martin, M.-F. Politis Phys. Rev. Lett., 107(2), 023202-4, 2011
  2. Modeling the infrared and circular dichroism spectroscopy of a bridged cyclic diamide. M.-P. Gaigeot, N.A. Besley, J.D. Hirst J. Phys. Chem. B, 115(18), 5526-5535, 2011
  3. N–H+ vibrational anharmonicities directly revealed from DFT-based molecular dynamics simulations on the Ala7H+ protonated peptide. A. Sediki, L.C. Snoek, M.-P. Gaigeot Int. J. Mass Spectrom., 308(2-3), Eyer Special Issue, 281-288, 2011
  4. Collision induced dissociation of protonated Urea with N2 : Effects of rotational energy on reactivity and energy transfer via chemical dynamics simulations. Y. Jeanvoine, M.-P. Gaigeot, W.L. Hase, K. Song, R. Spezia Int. J. Mass Spectrom., 308(2-3), Eyer Special Issue, 289-298, 2011
  5. Environmental effects on vibrational properties of carotenoids : Experiments and calculations on peridinin. D. Bovi, A. Mezzetti, R. Vuilleumier, M.-P. Gaigeot, B. Chazallon, R. Spezia, L. Guidoni Phys. Chem. Chem. Phys., 13(47), 20954-20964, 2011
  6. Vibrational spectroscopy of biomolecules by mixed Quantum/Classical Molecular Dynamics. D. Bovi, R. Spezia, A. Mezzetti, R. Vuilleumier, M.-P. Gaigeot, L. Guidoni Eur. Biophys. J. Biophys., 40(supplement 1), 102-102, 2011
  7. Stability and instability of the isoelectronic UO22+ and PaO2+ actinyl oxo-cations in aqueous solution from DFT-based molecular dynamics. R. Spezia, B. Siboulet, S. Abadie, R. Vuilleumier, P. Vitorge J. Phys. Chem. B, 115(13), 3560-3570, 2011
  8. Dynamical friction effects on the photoisomerization of a model protonated schiff base in solution. J.-P. Malhado, R. Spezia, J.T. Hynes J. Phys. Chem. A, 115(16), 3720-3735, 2011
  9. Polarizable interaction potential for molecular dynamics simulations of actinoids(III) in liquid water. M. Duvail, F. Martelli, P. Vitorge, R. Spezia J. Chem. Phys., 135(4), 044503-10, 2011
  10. Revised ionic radii of lanthanoid(III) ions in aqueous solution. P. D’Angelo, A. Zitolo, V. Migliorati, G. Chillemi, M. Duvail, P. Vitorge, S. Abadie, R. Spezia Inorg. Chem., 50(10), 4572-4579, 2011
  11. Sorption of aqueous palladium onto synthetic hydroxyapatite. J.M. Soriano-Rodriguez, V.E. Badillo-Almaraz, C. Alliot, F. Monroy-Guzman, P. Vitorge J. Radioanal. Nucl. Ch., 288(3), 645-652, 2011
  12. Molecular density functional theory of solvation : From polar solvents to water. S.L. Zhao, R. Ramirez, R. Vuilleumier, D. Borgis J. Chem. Phys., 134(19), 194102-13, 2011
  13. Development of normal phase-high performance liquid chromatography-atmospherical pressure chemical ionization-mass spectrometry method for the study of 6,6 '-bis-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-benzo [1,2,4]-triazin-3-yl)-[2,2 ']-bipyridine hydrolytic degradation. G. Nicolas, C.K. Jankowski, C. Lucas-Lamouroux, C. Bresson J. Chromatogr. A, 1218(37), 6369-6378, 2011
  14. Radionuclide speciation: A key point in the field of nuclear toxicology studies. C. Bresson, E. Ansoborlo, C. Vidaud J. Anal. Atom. Spectrom., 26(3), 593-601, 2011

  Equipe 3  

  1. Morphology of corroded surfaces : Contribution of cellular automaton modeling. D. Di Caprio, C. Vautrin-Ul, J. Stafiej, J. Saunier, A. Chaussé, D. Féron, J.-P. Badiali Corros. Sci., 53(1), 418-425, 2011
  2. Studies of N-demethylation oxidative and degradation of methylene blue by thin layers of birnessite electrodeposited onto SnO2. M. Zaied, S. Peulon, N. Bellakhal, B. Desmazières, A. Chaussé Appl. Catal. B-Environ., 101(3-4), 441-450, 2011
  3. Cellular automata approach for morphological evolution of localised corrosion D. Di Caprio, C. Vautrin-Ul, J. Stafiej, A. Chaussé, D. Féron, J.-P. Badiali Corros. Eng. Sci. Techn., 46(2), 223-227, 2011
  4. In situ grazing-incidence X-ray diffraction during electrodeposition of birnessite thin films : Identification of solid precursors. M. Ndjeri, S. Peulon, M.L. Schlegel, A. Chaussé Electrochem. Commun., 13(5), 491-494, 2011
  5. Spontaneous oxidative degradation of indigo carmine by thin films of birnessite electrodeposited onto SnO2. M. Zaied, E. Chutet, S. Peulon, N. Bellakhal, B. Desmazières, M. Dachraoui, A. Chaussé Appl. Catal. B-Environ., 107(1-2), 42-51, 2011
  6. Studies on the reduction of birnessite thin layers : Influence of medium. M. Ndjeri, S. Peulon, S. Bach, A. Chaussé Electrochim. Acta, 56(24), 8564-8570, 2011
  7. Glass-iron-clay interactions in a radioactive waste geological disposal : An integrated laboratory-scale experiment. G. de Combarieu, M.L. Schlegel, D. Neff, E. Foy, D. Vantelon, P. Barboux, S. Gin Appl. Geochem., 26(1), 65-79, 2011
  8. Europium(III) complexed by HPSEC size-fractions of a vertisol humic acid : Small differences evidenced by time-resolved luminescence spectroscopy. P.E. Reiller, J. Brevet, A. Nebbioso, A. Piccolo Spectrochim. Acta A, 78(3), 1173-1179, 2011
  9. Chlorine speciation in nuclear graphite studied by X-ray absorption near edge structure. C. E. Vaudey, C. Gaillard, N. Toulhoat, N. Moncoffre, M.L. Schlegel, L. Raimbault J. Nucl. Mater., 418(1-3), 16-21, 2011
  10. Mechanism of hydrogen absorption during the exposure of alloy 600-like single-crystals to PWR primary simulated media. F. Jambon, L. Marchetti, F. Jomard, J. Chêne J. Nucl. Mater., 414(3), 386-392, 2011
  11. Hydrogen embrittlement susceptibility of tempered 9%Cr-1% Mo steel. L. Marchetti, E. Herms, P. Laghoutaris, J. Chêne Int. J. Hydrogen Energ., 36(24), 15880-15887, 2011

  Equipe 4  

  1. Surface properties of conjugated main-chain polyrotaxanes. A. Farcas, I. Stoica, A. Stefanache, C. Peptu, F. Farcas, N. Marangoci, L. Sacarescu, V. Harabagiu, P. Guégan Chem. Phys. Lett., 508(1-3), 111-116, 2011
  2. Regioselective allylation of cyclodextrin leading to per(2,6-di-O-hydroxypropyl-3-O-methyl)-β-cyclodextrin. Z. Eskandani, C. Huin, P. Guégan Carbohyd. Res., 346(15), 2414-2420, 2011
  3. Supramolecular assemblies of histidinylated á-cyclodextrin in the presence of DNA scaffold during CDplexes formation. V. Bennevault-Celton, A. Urbach, O. Martin, C. Pichon, P. Guégan, P. Midoux Bioconj. Chem., 22(12), 2404-214, 2011
  4. Evidence of DNA transfer across a model membrane by a neutral amphiphilic block copolymer. C. Huin, T. Le Gall, B. Barteau, B. Pitard, T. Montier, P. Lehn, H. Cheradame, P. Guégan J. Gene Med., 13(10), 538-548, 2011
  5. Transendothelial passage of polyplexes across a pulmonary vascular endothelium. J.-P. Gomez, C. Goncalves, E. Bertrand, H. Cheradame, C. Pichon, P. Guégan, P. Midoux Hum. Gene Ther., 22(6), A19-A20, 2011
  6. Histidinylated linear PEI : a new efficient non toxic polymer for gene transfer. E. Bertrand, C. Gonçalves, L. Billet, J. P. Gomez, C. Pichon, H. Cheradame, P. Midoux, P. Guégan Chem. Commun., 47(46), 12547-12549, 2011
  7. Synthesis of poly(propylene glycol)-block-polyethylenimine triblock copolymers for the delivery of nucleic acids. B. Brissault, C. Leborgne, D. Scherman, C. Guis, A. Kichler Macromol. Biosci., 11(5), 652-661, 2011
  8. Chemical and physicochemical investigation of an aminoalkylalkoxysilane as strengthening agent for cellulosic materials. Z. Souguir, A.-L. Dupont, J.-B.D. de Lacaillerie, B. Lavedrine, H. Cheradame Biomacromolecules, 12(6), 2082-2091, 2011
  9. Micropatterns of cell adhesive proteins with poly(ethylene oxide)-block-poly(4-vinylpyridine) diblock copolymer. J. Racine, H. Cheradame, Y.S. Chu, J.P. Thiery, I. Rodriguez Biotechnol. Bioeng., 108(4), 983-987, 2011
  10. A novel cationic triblock copolymer as noncovalent coating for the separation of proteins by CE. F. Cao, X. Zhu, Z. Luo, J. Xing, X. Shi, Y. Wang, H. Cheradame Electrophoresis, 32(20), 2874-2883, 2011
  11. Paper aging and degradation : recent findings and research methods. M.C. Area, H. Cheradame Bioresources, 6(4), 5307-5337, 2011
  12. Dynamics of completely unfolded and native proteins through solid-state nanopores as a function of electric driving force. A. Oukhaled, B. Cressiot, L. Bacri, M. Pastoriza-Gallego, J.-M. Betton, E. Bourhis, R. Jede, J. Gierak, L. Auvray, J. Pelta ACS Nano, 5(5), 3628-3638, 2011
  13. Rectification of the current in alpha-hemolysin pore depends on the cation type : The alkali series probed by molecular dynamics simulations and experiments. S. Bhattacharya, J. Muzard, L. Payet, J. Mathé, U. Bockelmann, A. Aksimentiev, V. Viasnoff J. Phys. Chem. C, 115(10), 4255-4264, 2011
  14. Dynamics of colloids in single solid-state nanopores. L. Bacri, A. Oukhaled, B. Schiedt, G. Patriarche, E. Bourhis, J. Gierak, J. Pelta, L. Auvray J. Phys. Chem. B, 115(12), 2890-2898, 2011
  15. Dynamics of unfolded proteins transport through an aerolysin pore. M. Pastoriza-Gallego, L. Rabah, G. Gibrat, B. Thiebot, F.G. van der Goot, L. Auvray, J.-M. Betton, J. Pelta J. Am. Chem. Soc., 133(9), 2923-2931, 2011
  16. Effect of grain size on mechanical properties of irradiated mono- and polycrystalline MgAl(2)O(4). J. Jagielski, A. Piatkowska, P. Aubert, S. Labdi, O. Maciejak, M. Romaniec, L. Thome, I. Jozwik, A. Debelle, A. Wajler, M. Boniecki Acta Phys. Pol. A, 120(1), 118-121, 2011

2010

  Equipe 1  

  1. Control of end groups in anionic polymerizations using phosphazene bases and protic precursors as initiating system (XH-Bu ' P(4) Approach) : Application to the ring-opening polymerization of cyclopropane-1,1-dicarboxylates.N. Illy, S. Boileau, W. Buchmann, J. Penelle, V. BarbierMacromolecules, 43(21), 8782-8789, 2010
  2. HABA - based ionic liquid matrices for (UV)-MALDI-MS analysis of fully N-sulfated and O-sulfated heparin and heparan sulfate oligosaccharides.C. Przybylski, F. Gonnet, D. Bonnaffé, H. Lortat-Jacob, R. DanielGlycobiology, 20(2), 224-234, 2010
  3. NMR characterization and molecular modeling of fucoidan showing the importance of oligosaccharide branching in its anticomplementary activity. M.-J. Clément, B. Tissot, L. Chevolot, E. Adjadj, Y. Du, P.A. Curmi, R. DanielGlycobiology, 20(7), 883-894, 2010
  4. Desorption Electrospray Ionization Mass Spectrometry of glycosaminoglycans and their protein noncovalent complex.C. Przybylski, F. Gonnet, Y. Hersant, D. Bonnaffe, H. Lortat-Jacob, R. DanielAnal. Chem., 82(22), 9225-9233, 2010
  5. Mapping surface accessibility of the C1r/C1s tetramer by chemical modification and mass spectrometry provides new insights into assembly of the human C1 complex.S. Brier, D. Pflieger, M. Le Mignon, I. Bally, C. Gaboriaud, G.J. Arlaud, R. Daniel J. Biol. Chem., 285(42), 32251-32263, 2010
  6. Analysis of human C1q by combined bottom-up and top-down mass spectrometry : Detailed mapping of post-translational modifications and insights into the C1r/C1s binding sites.D. Pflieger, C. Przybylski, F. Gonnet, J.-P. Le Caer, T. Lunardi, G.J. Arlaud, R. DanielMol. Cell. Proteomics, 9(4), 593-610, 2010
  7. Quantitative analysis of protein complex constituents and their phosphorylation states on a LTQ-Orbitrap instrument.C. Przybylski, M.A. Jünger, J. Aubertin, F. Radvanyi, R. Aebersold, D. PfliegerJ. Proteome Res., 9(10), 5118-5132, 2010
  8. Negative-ion photoelectron spectroscopy of the copper-aspartic acid anion and its hydrated complexesX. Li, H. Wang, K. H. Bowen, A. Martínez, J.-Y. Salpin, J.-P. SchermannJ. Chem. Phys., 133, 084303-6, 2010

  Equipe 2  

  1. Theoretical investigation of the ultrafast dissociation of ionised biomolecules immersed in water : direct and indirect effects. M.-P. Gaigeot, P. Lopez-Tarifa, F. Martin, M. Alcami, R. Vuilleumier, I. Tavernelli, M. A. Hervé du Penhoat, M.-F. Politis Mutat. Res-Rev. Mutat., 704(1-3), 45-53, 2010
  2. Theoretical investigation of the ultrafast dissociation of core-ionized biomolecules immersed in liquid water. C.R. Stia, M.-P. Gaigeot, R. Vuilleumier, O.A. Fojon, M. A. Hervé du Penhoat, M.-F. Politis Eur. Phys. J. D, 60(1), 77-83, 2010
  3. Theoretical spectroscopy of floppy peptides at room temperature. A DFTMD perspective : gas and aqueous phase. M.-P. Gaigeot Phys. Chem. Chem. Phys., 12(14), 3336-3359, 2010
  4. DFT-MD and vibrational anharmonicities of a phosphorylated amino acid. Success and failure. A. Cimas, M.-P. Gaigeot Phys. Chem. Chem. Phys., 12(14), 3501, 2010
  5. Density Functional Theory based molecular dynamics study of hydration and electronic properties of aqueous La3+. C. Terrier, P. Vitorge, M.-P. Gaigeot, R. Spezia, R. Vuilleumier J. Chem. Phys., 133(4), 044509-10, 2010
  6. Infrared spectroscopy of the Alanine dipeptide analog in liquid water with DFT-MD. Direct evidence for PII-beta conformations. M.-P. Gaigeot Phys. Chem. Chem. Phys., 12(35), 10198-10209, 2010
  7. Proton transfer from the inactive gas-phase nicotine structure to the bioactive aqueous phase structure. M.-P. Gaigeot, A. Cimas, M. Seydou, J.-Y. Kim, S. Lee, J.-P. Schermann J. Am. Chem. Soc., 132(51), 18067-18077, 2010
  8. Cu2+ binding chalcogen-chalcogen bridges : A problematic case for DFT study. Y. Jeanvoine, R. Spezia J. Mol. Struct. (Theochem), 954(1-3), 7-15, 2010
  9. An ab initio Molecular Dynamics study on the hydrolisis of Po(IV) aquaion in water. R. Ayala, R. Spezia, R. Vuilleumier, J.M. Martinez, R.R. Pappalardo, E. Sanchez Marcos J. Phys. Chem. B, 114(40), 12866-12874, 2010
  10. Temperature effects on Lanthanoids(III) hydration structure and dynamics. M. Duvail, P. Vitorge, R. Spezia Chem. Phys. Lett., 498(1-3), 90-96, 2010
  11. The hydration of lanthanide-chloride salts : A quantum chemical and classical molecular dynamics simulation study. C. Beuchat, D. Hagberg, R. Spezia, L. Gagliardi J. Phys. Chem. B, 114(47), 15590–15597, 2010
  12. Evidence of different stoichiometries for the limiting carbonate complexes across the lanthanide(III) series. V. Philippini, T. Vercouter, P. Vitorge J. Solution Chem., 39(6), 747-769, 2010
  13. Corrigendum to “Understanding reactions with O2 for 90Sr measurements by ICP-MS with collision-reaction cell” by Favre et al. [Int. J. Mass Spectrom. 289 (2010) 177] R. Brennetot, P. Vitorge Int. J. Mass Spectrom., 293(1-3), 56-56, 2010
  14. Protein backbone dynamics simulations using Coarse-Grained bonded potentials and simplified hydrogen bonds. T. Ha-Duong J. Chem. Theory Comput., 6(3), 761-773, 2010
  15. Cobalt toxicity : Chemical and radiological combined effects on HaCaT keratinocyte cell line. N. Gault, C. Sandre, J.-L. Poncy, C. Moulin, J.-L. Lefaix, C. Bresson Toxicol. in vitro, 24(1), 92-98, 2010

  Equipe 3  

  1. A corrosion study of the ferrous medieval reinforcement of the Amiens cathedral. Phase characterisation and localisation by various microprobes techniques. J. Monnier, D. Neff, S. Reguer, P. Dillmann, L. Bellot-Gurlet, E. Leroy, E. Foy, L. Legrand, I. Guillot Corros. Sci., 52(3), 695-710, 2010
  2. Corrosion of iron from heritage buildings : proposal for degradation indexes based on rust layer composition and electrochemical reactivity. J. Monnier, P. Dillmann, L. Legrand, I. Guillot Corros. Eng. Sci. Techn., 45(5), 375-380, 2010
  3. In situ structural characterisation of nonstable phases involved in atmospheric corrosion of ferrous heritage artefacts. E. Burger, L. Legrand, D. Neff, H. Faiz, S. Perrin, V. L'Hostis, P. Dillmann Corros. Eng. Sci. Techn., 45(5), 395-399, 2010
  4. Electrophoretic deposition of siderite thin layers : Influence of electrode potential and deposition time. A. Ithurbide, S. Peulon, F. Miserque, C. Beaucaire, A. Chaussé, Ch. Poinssot Thin Solid Films, 518(10), 2644-2648, 2010
  5. Retention and redox behaviour of uranium(VI) by siderite (FeCO3). A. Ithurbide, S. Peulon, F. Miserque, C. Beaucaire, A. Chaussé Radiochim. Acta, 98(9-11), 563-568, 2010
  6. Uptake of uranium and trace elements in pyrite (FeS2) suspensions. M. Descostes, M.L. Schlegel, N. Eglizaud, F. Descamps, F. Miserque, E. Simoni Geochim. Cosmochim. Acta, 74(5), 1551-1562, 2010
  7. Anodic activation of iron corrosion in clay media under water-saturated conditions at 90°C : characterization of the corrosion interface. M.L. Schlegel, C. Bataillon, C. Blanc, D. Prêt, E. Foy Environ. Sci. Technol., 44(4), 1503-1508, 2010
  8. Extrapolating investigations of ion and molecular adsorption at the muscovite (001)-water interface to systems in Earth, environmental, and materials science. K.L. Nagy, S.S. Lee, C. Park, M.L. Schlegel, L. Cheng, N.C. Sturchio, P. Fenter Geochim. Cosmochim. Acta, 74(12 suppl.1), A745-A745, 2010
  9. Bi-exponential decay of Eu(III) complexed by Suwannee River humic substances : Spectroscopic evidence of two different excited species. P.E. Reiller, J. Brevet Spectrochim. Acta A, 75(2), 629-636, 2010

  Equipe 4  

  1. Beta-Cyclodextrins modified by alkyl and poly(ethylene oxide) chains : A novel class of mass transfer additives for aqueous organometallic catalysis. N. Badi, P. Guégan, F.-X. Legrand, L. Leclercq, S. Tilloy, E. Monflier J. Mol. Catal. A-Chem., 318 (1-2), 8-14, 2010
  2. Investigation of DNA condensing properties of amphiphilic triblock cationic polymers by atomic force microscopy. N. Lidgi-Guigui, C. Guis, B. Brissault, A. Kichler, C. Leborgne, D. Scherman, S. Labdi, P.A. Curmi Langmuir, 26(22), 17552-17557, 2010
  3. Tailoring nanopores for efficient sensing of different biomolecules. G. Oukhaled, L. Bacri, E. Bourhis, B. Schiedt, A. Madouri, G. Patriarche, R. Jede, J.-M. Betton, P. Guégan, L. Auvray, J. Pelta, J. Gierak Mater. Res. Soc. Symp. Proc., 1253, 2010 Mass deacidification and reinforcement of papers and books VI- Study of aminopropylmethyldiethoxysilane treated papers. A.-L. Dupont, B. Lavedrine, H. Cheradame Polym. Degrad. Stabil., 95(12), 2300-2308, 2010
  4. Condensation of alkoxysilanes in alcoholic media : I. Oligomerization of dimethyldiethoxysilane. V. Bennevault-Celton, O. Maciejak, B. Desmazières, H. Cheradame Polym. Int., 59(1), 43-54, 2010
  5. Condensation of alkoxysilanes in alcoholic media : II. Oligomerization of aminopropylmethyldiethoxysilane and co-oligomerization with dimethyldiethoxysilane. V. Bennevault-Celton, O. Maciejak, B. Desmazières, H. Cheradame Polym. Int., 59(9), 1273-1281, 2010
  6. DNA translocation and unzipping through a nanopore : some geometrical effects. J. Muzard, M. Martinho, J. Mathé, U. Bockelmann, V. Viasnoff Biophys. J., 98(10), 2170-2178, 2010
  7. Direct FIB fabrication and integration of "single nanopore devices" for the manipulation of macromolecules. B. Schiedt, L. Auvray, L. Bacri, G. Oukhaled, A. Madouri, E. Bourhis, G. Patriarche, J. Pelta, R. Jede, J. Gierak Microelectron. Eng., 87(5-8), 1300-1303, 2010
  8. Mechanical properties of irradiated spinel ceramics. J. Jagielski, A. Piatkowska, P. Aubert, O. Maciejak, S. Labdi, L. Thomé, I. Jozwik, A. Wajler Nucl. Instrum. Meth. B, 268(19), 2977-2979, 2010
  9. Structural and mechanical properties of titanium oxide thin films for biomedical application. I. Jouanny, S. Labdi, P. Aubert, C. Buscema, O. Maciejak, M.-H. Berger, V. Guipont, M. Jeandin Thin Solid Films, 518(12), 3212-3217, 2010

2009

  Equipe 1  

  1. Influence of instrumental parameters on the kinetic energy of ions and plasma temperature for a hexapole collision/reaction-cell-based inductively coupled plasma quadrupole mass spectrometer.G. Favre, R. Brennetot, F. Chartier, J. TortajadaAppl. Spectrosc., 63(2), 207-213, 2009
  2. Affinity capture using chimeric membrane proteins bound to magnetic beads for rapid ligand screening by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry.C. Legros, C. Guette, M.F. Martin-Eauclaire, M. Goyffon, J. TortajadaRapid Commun. Mass Spectrom., 23(6), 745-755, 2009
  3. Gas-phase interactions between Lead (II) ions and thiouracil nucleobases : a combined experimental and theoretical study.J.-Y. Salpin, S. Guillaumont, J. Tortajada, A.M. LamsabhiJ. Am. Soc. Mass Spectrom., 20(3), 359-369, 2009
  4. Tautomerism of cytosine probed by gas phase IR spectroscopy.J.M. Bakker, J.-Y. Salpin, P. MaitreInt. J. Mass Spectrom., 283(1-3 Sp. Iss.), 214-221, 2009
  5. A new method for the determination of the relative affinity of a ligand against various DNA sequences by electrospray ionization mass spectrometry. Application to a polyamide minor groove binder.W. Buchmann, A. Boutorine, L. Halby, J. Tortajada, E. De PauwJ. Mass Spectrom., 44(8), 1171-1181, 2009
  6. Quantitative proteomic analysis of lentiviral vectors using 2-DE.J. Denard, S. Rundwasser, N. Laroudie, F. Gonnet, L. Naldini, M. Radrizzani, A. Galy, O.-W. Merten, O. Danos, F. SvinartchoukProteomics, 9(14), 3666-3676, 2009
  7. Nanovesicles released by Dictyostelium cells : a potential carrier for drug delivery.F. Lavialle, S. Deshayes, F. Gonnet, E. Larquet, S. G. Kruglick, N. Boisset, R. Daniel, A. Alfsen, I. TatischeffInt. J. Pharm., 380(1-2), 206-21, 2009
  8. Use of spermine and thiabendazole as analyte protectants to improve direct analysis of 16 carbamates by gas chromatography-mass spectrometry in green vegetable matrices.C. Przybylski, V. BonnetAnal. Bioanal. Chem., 394(4), 1147-1159, 2009
  9. Combination of 1H nuclear magnetic resonance spectroscopy and mass spectrometry as tools for investigation of the thermolytic and solvolytic effects : Case of carbamates analysis.C. Przybylski, V. BonnetJ. Chromatogr. A, 1216(23), 4787-4797, 2009
  10. Method for routine screening of pesticides and metabolites in meat based baby-food using extraction and gas chromatography-mass spectrometry.C. Przybylski, C. SegardJ. Sep. Sci., 32(11), 1858-1867, 2009

  Equipe 2  

  1. Cobalt distribution in keratinocyte cells indicates nuclear and perinuclear accumulation and interaction with magnesium and zinc homeostasis.R. Ortega, C. Bresson, A. Fraysse, C. Sandre, G. Deves, C. Gombert, M. Tabarant, P. Bleuet, H. Seznec, A. Simionovici, P. Moretto, C. MoulinToxicol. Lett., 188(1), 26-32, 2009
  2. A polarizable coarse-grained water model for coarse-grained proteins simulations.T. Ha-Duong, N. Basdevant, D. BorgisChem. Phys. Lett., 468(1-3), 79-82, 2009
  3. Classical density functional theory of solvation in molecular solvents : Angular grid implementation.L. Gendre, R. Ramirez, D. BorgisChem. Phys. Lett., 474(4-6), 366-370, 2009
  4. MDVRY : a polarizable classical molecular dynamics package for biomolecules.M. Souaille, H. Loirat, D. Borgis, M.-P. GaigeotComput. Phys. Commun., 180(2), 276-301, 2009
  5. Vibrational spectra of small protonated peptides from finite temperature MD simulations and IRMPD spectroscopy.A. Cimas, T.D. Vaden, T. S. J. A. de Boer, L.C. Snoek, M.-P. GaigeotJ. Chem. Theor. Comput., 5(4), 1068-1078, 2009
  6. Ionization and fragmentation of water clusters by fast highly charged ions.L. Adoui, A. Cassimi, B. Gervais, L. Guillaume, S. Legendre, P. Lopez-Tarifa, M.-F. Politis, M.A. Hervé du Penhoat, R. Vuilleumier, M.-P. Gaigeot, I. Tavernelli, M. Alcami, F. MartinJ. Phys. B : At. Mol. Opt. Phys., 42(7), 075101, 2009
  7. Unravelling the conformational dynamics of the aqueous Alanine dipeptide with first principle molecular dynamics.M.-P. GaigeotJ. Phys. Chem. B, 113(30), 10059-10062, 2009
  8. Molecular dynamics and room temperature vibrational properties of deprotonated phosphorylated serine.A. Cimas, P. Maitre, G. Ohanessian, M.-P. GaigeotJ. Chem. Theor. Comput., 5(9), 2388-2400, 2009
  9. What first principles molecular dynamics can tell us about EXAFS spectroscopy of radioactive heavy metal cations in water.M. Duvail, P. d’Angelo, M.-P. Gaigeot, P. Vitorge, R. SpeziaRadiochim. Acta, 97(7), 339-346, 2009
  10. Building a polarizable pair interaction potential for lanthanoids(III) in liquid water : a molecular dynamics study of structure and dynamics of the whole series.M. Duvail, P. Vitorge, R. SpeziaJ. Chem. Phys., 130, 104501-13, 2009
  11. Mn2+, Fe2+, Co2+, Ni2+, Cu2+ and Zn2+ binding Chalcogen-Chalcogen bridges : a compared MP2 and B3LYP study.Y. Jeanvoine, R. SpeziaJ. Phys. Chem. A, 113(27), 7878-7887, 2009
  12. Trace metal speciation by capillary electrophoresis hyphenated to inductively coupled plasma mass spectrometry : sulfate and chloride complexes of Np(V) and Pu(V).S. Topin, J. Aupiais, N. Baglan, T. Vercouter, P. Vitorge, P. MoisyAnal. Chem., 81(13), 5354-5363, 2009
  13. Speciation of Technetium(IV) in bicarbonate media.I. Alliot, C. Alliot, P. Vitorge, M. FattahiEnviron. Sci. Technol., 43(24), 9174-9182, 2009
  14. The stathmin-derived I19L peptide interacts with FtsZ and alters its bundling.M.J. Clement, B.T. Kuoch, T. Ha-Duong, V. Joshi, L. Hamon, F. Toma, P. Curmi, P. SavarinBiochemistry, 48, 9734-9744, 2009
  15. Molecular dynamics to rationalize EXAFS experiments : a dynamical model explaining hydration behaviour across the lanthanoid(III) series.R. Spezia, M. Duvail, P. Vitorge, P. D’AngeloJ. Phys. : Conf. Ser., 190, 012056, 2009

  Equipe 3  

  1. Novel 4-carboxyphenyl-grafted screen-printed electrode for trace Cu(II) determination. S. Betelu, C. Vautrin-Ul, A. Chaussé Electrochem. Commun., 11(2), 383-386 2009
  2. Screen-printed electrografted electrode for trace uranium analysis. S. Betelu, C. Vautrin-Ul, J. Ly, A. Chaussé Talanta, 80(1), 372-376, 2009
  3. Use of the microchannel dimensions for studying assisted ion transfers at liquid-liquid supported microinterface. S. Peulon Electrochim. Acta, 54(5), 1537-1544, 2009
  4. Interaction between uranium (VI) and siderite (FeCO3) surfaces in carbonate solutions. A. Ithurbide, S. Peulon, F. Miserque, C. Beaucaire, A. Chaussé Radiochim. Acta, 97(3), 177-180, 2009
  5. Selenite and selenate reduction by siderite : in situ and ex situ XAS experiments. V. Badaut, M.L. Schlegel, M. Descostes, P. Zeller, G. Moutiers Geochim. Cosmochim. Acta, 73(13 Suppl.), A67, 2009
  6. Uranium uptake by hectorite and montmorillonite : A solution chemistry and polarized EXAFS study. M.L. Schlegel, M. Descostes Environ. Sci. Technol., 43(22), 8593-9598, 2009
  7. Spectral and temporal luminescent properties of Eu(III) in humic substance solutions from different origins. J. Brevet, F. Claret, P.E. Reiller Spectrochim. Acta A, 74(2), 446-453, 2009

  Equipe 4  

  1. Synthesis and characterization of a poly[2,7-(9,9-dioctylfluorene-alt-2,7-fluorene/beta-CD)] main chain polyrotaxane. A. Farcas, N. Jarroux, V. Harabagiu, P. Guégan Eur Polym. J., 45(3), 795-803, 2009
  2. Synthesis of half-channels by the anionic polymerization of ethylene oxide initiated by modified cyclodextrin. N. Badi, L. Auvray, P. Guégan Adv Mater., 21(40), 4054-4057, 2009
  3. Synthesis and bulk organization of polymer nanocomposites based on hemi/ditelechelic poly(propylene oxide) end-functionalized with POSS cages. S. Randriamahefa, C. Lorthioir, P. Guégan, J. Penelle Polymer, 50(16), 3887-3894, 2009
  4. Cationic polymerization of dienes VIII : Is the elimination of cross-linking by a bulky electron donor a general behavior in the presence of aluminium trichloride ? V. Bennevault-Celton, N. Badi, H. Cheradame Eur. Polym. J., 45(3), 837-845, 2009
  5. Polyrotaxanes of pyrene-triazole conjugated azomethine and alpha-cyclodextrin with high fluorescence properties. A. Farcas, N. Jarroux, I. Ghosh, P. Guégan, W.M. Nau, V. Harabagiu Macromol. Chem. Phys., 210(17), 1440-1449, 2009
  6. Synthesis and evaluation of amphiphilic poly(tetrahydrofuran-b-ethylene oxide) copolymers for DNA delivery into skeletal muscle. C. Pomel, C. Leborgne, H. Cheradame, D. Schermann, A. Kichler, P. Guégan Mol. Ther., 17(Suppl. 1), S336-S336, 2009
  7. Direct FIB fabrication and integration of "single nanopore devices" for the manipulation of macromolecules. B. Schiedt, L. Auvray, L. Bacri, A.-L. Biance, A. Madouri, E. Bourhis, G. Patriarche, J. Pelta , R. Jede, J. Gierak Mater. Res. Soc. Symp. Proc., 1191, 93-100, 2009
  8. Polyelectrolyte and unfolded protein pore entrance depends on the pore geometry. M. Pastoriza-Gallego, G. Gibrat, B. Thiebot, J.-M. Betton, J. Pelta BBA-Biomembranes, 1788(6), 1377-1386, 2009

2008

  Equipe 1  

  1. Coordination properties of lysine interacting with Co(I) and Co(II). A theoretical and mass spectrometry study.E. Constantino, J. Tortajada, M. Sodupe, L. Rodriguez-SantiagoJ. Phys. Chem. A, 112(48), 12385-12392, 2008
  2. Ni+ reactions with aminoacetonitrile, a potential pre-biological precursor of glycine.A.M. Lamsabhi, O. Mó, M. Yáñez, J.-C. Guillemin, V. Haldys, J. Tortajada, J.-Y. SalpinJ. Mass Spectrom., 43(3), 317-326, 2008
  3. Selenourea-Ca2+ reactions in gas phase. Similarities and dissimilarities with urea and thiourea.C. Trujillo, O. Mó, M. Yáñez, J. Tortajada, J.-Y. SalpinJ. Phys. Chem. B, 112(17), 5479-5486, 2008
  4. Ni+ reactions with aminoacrylonitrile, a species of astrochemical relevance.A.M. Lamsabhi, O. Mó, M. Yáñez, J.-Y. Salpin, V. Haldys, J. Tortajada, J.-C. GuilleminJ. Phys. Chem. A, 112(42), 10509-10515, 2008
  5. Sr2+-neutral molecules interactions. An assessment of theoretical procedures.A. Eizaguirre, M. Yáñez, J. Tortajada, J.-Y. SalpinChem. Phys. Lett., 464(4-6), 240-244, 2008
  6. Computational study on the kinetics of the reaction between Ca2+ and urea.A. Cimas, J.A. Gamez, O. Mó, M. Yáñez, J.-Y. SalpinChem. Phys. Lett., 456(4-6), 156-161, 2008
  7. Interaction of Ca2+ with uracil and its thio derivatives in the gas phase.C. Trujillo, A.M. Lamsabhi, O. Mó, M. Yánez, J.-Y. SalpinOrg. Biomol. Chem., 6(20), 3695-3702, 2008
  8. Tautomerism of uracil probed via Infrared Spectroscopy of singly hydrated protonated uracil.J.M. Bakker, R.K. Sinha, T. Besson, M. Brugnara, P. Tosi, J.-Y. Salpin, P. MaitreJ. Phys. Chem. A, 112(48), 12393-12400, 2008
  9. APCI interface for LC and SEC-MS analysis of synthetic polymers : advantages and limits.B. Desmazières, W. Buchmann, P. Terrier, J. TortajadaAnal. Chem., 80(3), 783-792, 2008
  10. Proteome analysis of differentiating human myoblasts by dialysis assisted two dimensional gel electrophoresis (DAGE).F. Gonnet, B. Bouazza, G. A. Millot, S. Ziaie, L. Garcia, G.S. Butler-Browne, V. Mouly, J. Tortajada, O. Danos, F. SvinartchoukProteomics, 8(2), 264-278, 2008
  11. The polyethylene oxide capillary coating is compatible with capillary electrophoresis - mass spectrometry analysis of basic proteins.S. Fermas, R. Daniel, F. GonnetAnal. Biochem., 372(2), 258-260, 2008
  12. Quantitative characterisation of the protein composition of lentiviral vectors by 2D gel approach.J. Denard, S. Rundwasser, N. Laroudie, F. Gonnet, L. Naldini, M. Radrizzani, A. Galy, O.-W. Merten, O. Danos, F. SvinartchoukHum. Gene Ther., 19(10), 1192-1193, 2008
  13. Sulfated oligosaccharides (heparin and fucoidan) binding and dimerization of stromal cell-derived factor-1 (SDF-1/CXCL 12) are coupled as evidenced by affinity CE-MS analysis.S. Fermas, F. Gonnet, A. Sutton, N. Charnaux, B. Mulloy, Y. Du, F. Baleux, R. DanielGlycobiology, 18(12), 1054-1064, 2008
  14. Quantitative proteomic analysis of protein complexes : Concurrent identification of interactors and their state of phosphorylation.D. Pflieger, M.A. Jünger, M. Müller, O. Rinner, H. Lee, P.M. Gehrig, M. Gstaiger, R. AebersoldMol. Cell. Proteomics, 7(2), 326-46, 2008
  15. Evaluation of some parameters affecting troublesome pesticide analysis in gas chromatography - ion-trap mass spectrometry.C. Przybylski, F. HommetJ. Chromatogr. A, 1201(1), 78-90, 2008

  Equipe 1  

  1. Combining a polarizable force-field and a coarse-grained polarizable solvent model : Application to long dynamics simulations of bovine pancreatic trypsin inhibitor.M. Masella, D. Borgis, P. CuniasseJ. Comput. Chem., 29(11), 1707-1724, 2008
  2. Time dependent density functional theory molecular dynamics simulations of liquid water radiolysis.I. Tavernelli, M.-P. Gaigeot, R. Vuilleumier, C. Stia, M.A. Hervé du Penhoat, M.-F. PolitisChemPhysChem, 9(14), 2099-2103, 2008
  3. Alanine polypeptide structural fingerprints at room temperature : what can be gained from non harmonic Car-Parrinello molecular dynamics simulations.M.-P. GaigeotJ. Phys. Chem. A., 112(51), 13507-13517, 2008
  4. A dynamic model to explain hydration behaviour along the lanthanide series.M. Duvail, R. Spezia, P. VitorgeChemPhysChem, 9(5), 693-696, 2008
  5. Solvation effects on structure and dynamics of Co(III)-Cysteine complexes in water : a DFT-based Molecular Dynamics Study.R. Spezia, C. Bresson, C. Den Auwer, M.-P. GaigeotJ. Phys. Chem. B, 112(20), 6490-6499, 2008
  6. Stoichiometries and thermodynamic stabilities for aqueous sulfate complexes of U(VI).T. Vercouter, P. Vitorge, B. Amekraz, C. MoulinInorg. Chem., 47(6), 2180-2189, 2008
  7. What can quantum chemistry tell us about Pa(V) hydration and hydrolysis ?B. Siboulet, C.J. Marsden, P. VitorgeNew J. Chem., 32(12), 2080-2094, 2008
  8. Time-resolved step scan FTIR spectroscopy and DFT investigation on triplet formation in Peridinin-Chlorophyll-a-Protein from Amphidinium carterae at low temperature.A. Mezzetti, R. SpeziaSpectrosc. Int. J., 22(4), 235-250, 2008
  9. Yukawa multipole electrostatics and non-trivial coupling between electrostatic and dispersion interactions in electrolytes.R. Kjellander, R. RamirezJ. Phys. : Condens. Matter., 20(49), 494209, 2008

  Equipe 3  

  1. Electrochemical grafting of organic coating onto gold surfaces : Influence of the electrochemical conditions on the grafting of nitrobenzene diazonium salt. J. Haccoun, C. Vautrin-Ul, A. Chaussé, A. Adenier Prog. Org. Coat., 63(1), 18-24, 2008
  2. Numerical simulations of spatial heterogeneity formation in metal corrosion. C. Vautrin-Ul, H. Mendy, A. Taleb, A. Chaussé, J. Stafiej, J.-P. Badiali Corros. Sci., 50(8), 2149-2158, 2008
  3. Study of archaeological artefacts to refine the model of iron long-term indoor atmospheric corrosion. J. Monnier, L. Legrand, L. Bellot-Gurlet, E. Foy, S. Reguer, E. Rocca, P. Dillmann, D. Neff, F. Mirambet, S. Perrin, I. Guillot J. Nucl. Mater., 379(1-3), 105-111, 2008
  4. Carbonate and sulphate green rusts - Mechanisms of oxidation and reduction. H. Antony, L. Legrand, A. Chaussé Electrochim. Acta, 53(24), 7146-7156, 2008
  5. Study of FeII / FeIII ratio in thin films of carbonate or sulphate green rusts obtained by potentiostatic electrosynthesis. H. Antony, J. C. Rouchaud, E. Chassaing, L. Legrand, A. Chaussé Electrochim. Acta, 53(24), 7173-7181, 2008
  6. Studies of electrodeposition from Mn(II) species of thin layers of Birnessite onto transparent semiconductor. N. Larabi-Gruet, S. Peulon, A. Lacroix, A. Chaussé Electrochim. Acta, 53(24), 7281-7287, 2008
  7. Diffusion of anionic species in Callovo-Oxfordianargillites and Oxfordianlimestones (Meuse-Haute Marne, France). M. Descostes, V. Blin, F. Bazer-Bachi, P. Meier, B. Grenut, J. Radwan, M.L. Schlegel, S. Buschaert, D. Coelho, E. Tevissen Appl. Geochem., 23(4), 655-677, 2008
  8. Oxidation of FeS by oxygen-bearing weakly acidic solutions. P. Chirita, M. Descostes, M.L. Schlegel J. Colloid Interf. Sci., 321(1), 84-95, 2008
  9. Metal corrosion and argillite transformation at the water-saturated, high temperature iron-clay interface: a microscopic-scale study. M.L. Schlegel, C. Bataillon, K. Benhamida, C. Blanc, D. Menut, J.-L. Lacour Appl. Geochem., 23(9), 2619-2633, 2008
  10. Polarized EXAFS characterization of the sorption mechanism of yttrium on hectorite. M.L. Schlegel Radiochim. Acta, 96(9-11), 667-672, 2008
  11. Fractionation of Suwannee River fulvic acid and Aldrich humic acid on alpha-Al2O3: spectroscopic evidence. F. Claret, T. Schafer, J. Brevet, P.E. Reiller Environ. Sci. Technol., 42(23), 8809-8815, 2008 Migration of U in a polluted calcareous peat-land. V. Phrommavanh, M. Descostes, C. Beaucaire, E. Laporte, J.P. Gaudet Geochim. Cosmochim. Acta, 72(12), A744-A744, 2008 Tritium deformation interactions in fcc austenitic steels. J. Chêne Fusion Sci. Technol., 54(2), 506-509, 2008
  12. Tritium release and trapping in austenitic stainless steels : role of microstructure and desorption anneal. J. Chêne, P. Trabuc, O. Gastaldi Fusion Sci. Technol., 54(2), 510-514, 2008

  Equipe 4  

  1. Trimethylsilyl permodified cyclodextrins : Behavior at the air-water interface. O. Fichet, A. Benkhaled, V. Harabagiu, P. Guégan, D. Teyssié Thin Solid Films, 516(8), 1748-1754, 2008
  2. Two independent ways of preparing new hyper-charged hydrolysable polyaminorotaxane. B. Peres, N. Richardeau, N. Jarroux, P. Guégan, L. Auvray Biomacromolecules, 9(7), 2007-2013, 2008
  3. Nuclear delivery of NFκB-assisted DNA/polymer complexes: plasmid DNA quantitation by confocal laser scanning microscopy and evidence of nuclear polyplexes by FRET imaging. G. Breuzard, M. Tertil, C. Gonçalves, H. Cheradame, P. Guégan, C. Pichon, P. Midoux Nucleic Acids Res., 36(12), e71, 2008
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