DFT-MD of the (110)-Co3 O4 cobalt oxide semiconductor in contact with liquid water, preliminary chemical and physical insights into the electrochemical environment
Fabrizio Creazzo
,
Daria Ruth Galimberti
,
Simone Pezzotti
,
Marie-Pierre Gaigeot
Journal articles
hal-02104556v1
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Translocation of Sequence-Controlled Synthetic Polymers through Biological Nanopores
Mordjane Boukhet
,
Niklas Felix König
,
Abdelaziz Al Ouahabi
,
Gerhard Baaken
,
Jean-François Lutz
,
et al.
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hal-02407184v1
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Templated polycondensation of aminopropyltrimethoxysilane on DNA
N. Jarroux
,
M.J. Clément
,
M. Gervais
,
S. Moriau
,
O. Maciejak
,
et al.
Journal articles
hal-02110163v1
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2D H-Bond Network as the Topmost Skin to the Air–Water Interface
Simone Pezzotti
,
Daria Ruth Galimberti
,
Marie-Pierre Gaigeot
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hal-02110171v1
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Interaction of chemokine receptor CXCR4 in monomeric and dimeric state with its endogenous ligand CXCL12: coarse-grained simulations identify differences
Pasquale Cutolo
,
Nathalie Basdevant
,
Guillaume Bernadat
,
Françoise Bachelerie
,
Tâp Ha-Duong
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hal-02110176v1
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MFC bioanodes constituted of nickel sulfide nanoparticles and electroactive biofilm.
L. Legrand
,
P. Snehangshu
,
D. Feron
,
A. Chausse
XXIV International Symposium on Bioelectrochemistry and Bioenergetics, BES2017 , Jul 2017, Lyon, France
Conference papers
hal-02418115v1
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Development, characterization, and biological assessment of biocompatible cellulosic wound dressing grafted Aloe vera bioactive polysaccharide
Fatma Salah
,
Yassine El Ghoul
,
Fahad Alminderej
,
Emna El Golli-Bennour
,
Zouhour Ouanes
,
et al.
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hal-02123953v1
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Discrimination and Sequencing of Polymers with Biological Nanopores
Mordjane Boukhet
Materials Science [cond-mat.mtrl-sci]. Université de Cergy Pontoise; Albert-Ludwigs-Universität (Freiburg im Breisgau, Allemagne), 2018. English.
⟨NNT : 2018CERG0984⟩
Theses
tel-02311628v1
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Theoretical and computational studies of non-equilibrium and non-statistical dynamics in the gas phase, in the condensed phase and at interfaces
Riccardo Spezia
,
Emilio Martinez-Nunez
,
Vazquez Saulo
,
William L. Hase
Philosophical Transactions of the Royal Society A: Physical and Engineering Sciences (1990–1995) , 2017, 375 (2092), pp.20170035.
⟨10.1098/rsta.2017.0035⟩
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hal-01575063v1
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How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study
Serva Alessandra
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Valentina Migliorati
,
Riccardo Spezia
,
Paola d'Angelo
Journal articles
hal-01575067v1
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Isomer separation and effect of the degree of polymerization on the gas-phase structure of chondroitin sulfate oligosaccharides analyzed by ion mobility and tandem mass spectrometry
Salomé Poyer
,
Chrystel Lopin-Bon
,
Jean-Claude Jacquinet
,
Jean-Yves Salpin
,
Régis Daniel
Rapid Communications in Mass Spectrometry , 2017, 31 (23), pp.2003 -2010.
⟨10.1002/rcm.7987⟩
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hal-01637356v1
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Corrosion at the carbon steel-clay borehole water interface under anoxic alkaline and fluctuating temperature conditions
Michel Schlegel
,
Sophia Necib
,
Sylvie Daumas
,
Marc Labat
,
Cecile Blanc
,
et al.
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cea-01736952v1
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Combining ab-initio and classical molecular dynamics simulations to unravel the structure of the 2D-HB-network at the air-water interface
Alessandra Serva
,
Simone Pezzotti
,
Sana Bougueroua
,
Daria Ruth Galimberti
,
Marie-Pierre Gaigeot
Journal articles
hal-02082460v1
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Molecular hydrophobicity at a macroscopically hydrophilic surface
Jenée D. Cyran
,
Michael A. Donovan
,
Doris Vollmer
,
Flavio Siro Brigiano
,
Simone Pezzotti
,
et al.
Proceedings of the National Academy of Sciences of the United States of America , 2018, 116 (5), pp.1520-1525.
⟨10.1073/PNAS.1819000116⟩
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hal-02110446v1
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Hepatitis C virus core protein targets 4E-BP1 expression and phosphorylation and potentiates Myc-induced liver carcinogenesis in transgenic mice
Cosette Abdallah
,
Charlène Lejamtel
,
Nassima Benzoubir
,
Serena Battaglia
,
Nazha Sidahmed-Adrar
,
et al.
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hal-02110180v1
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Deconvolution of BIL-SFG and DL-SFG spectroscopic signals reveals order/disorder of water at the elusive aqueous silica interface
Simone Pezzotti
,
Daria Ruth Galimberti
,
Marie-Pierre Gaigeot
Journal articles
hal-02572341v1
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Thermodynamics of 5-Bromouracil Tautomerization From First-Principles Molecular Dynamics Simulations
Jenée Cyran
,
Michael Donovan
,
Doris Vollmer
,
Flavio Siro Brigiano
,
Simone Pezzotti
,
et al.
Book sections
hal-02572267v1
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Electrochemical Behavior of Stainless Steels for Sudomotor Dysfunction Applications
A. Calmet
,
N. Vejar
,
X. Gonzalez
,
M. Sancy
,
A. Ringuedé
,
et al.
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hal-02376875v1
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Aerolysin, a Powerful Protein Sensor for Fundamental Studies and Development of Upcoming Applications
Benjamin Cressiot
,
Hadjer Ouldali
,
Manuela Pastoriza-Gallego
,
Laurent Bacri
,
F. Gisou van Der Goot
,
et al.
Journal articles
hal-02063213v1
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Dynamics of a polyelectrolyte through aerolysin channel as a function of applied voltage and concentration
Manuela Pastoriza-Gallego
,
Bénédicte Thiebot
,
Laurent Bacri
,
Loïc Auvray
,
Juan Pelta
Journal articles
hal-02006465v1
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Curcumin/poly(2-methyl-2-oxazoline-b-tetrahydrofuran-b-2-methyl-2-oxazoline) formulation: An improved penetration and biological effect of curcumin in F508del-CFTR cell lines
Cristine Gonçalves
,
Pierre Gomez
,
William Même
,
Bazoly Rasolonjatovo
,
David Gosset
,
et al.
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hal-01618274v1
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Kinetic Analysis of Single Molecule Electrodiffusion in a Biological Nanopore with Two Binding Sites
Norbert Ankri
,
Mordjane Boukhet
,
Gerhard Baaken
,
Murugappan Muthukumar
,
Jan Behrends
63rd Annual Meeting of the Biophysical-Society Location , Mar 2019, Baltimore, United States
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hal-02484073v1
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Characterization of Renal Injury and Inflammation in an Experimental Model of Intravascular Hemolysis
Nicolas Merle
,
Anne Grunenwald
,
Marie-Lucile Figueres
,
Sophie Chauvet
,
Marie Daugan
,
et al.
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hal-01966724v1
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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 Galimberti
,
Sana Bougueroua
,
Jerome Mahé
,
Matteo Tommasini
,
Anouk Rijs
,
et al.
Journal articles
hal-02082493v1
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Double differential cross sections for liquid water ionization by fast electron impact
Maria Laura De Sanctis
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Marie-Françoise Politis
,
Rodolphe Vuilleumier
,
Carlos R. Stia
,
Omar A. Fojón
Journal articles
hal-02110179v1
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2D-HB-Network at the air-water interface: A structural and dynamical characterization by means of ab initio and classical molecular dynamics simulations
Simone Pezzotti
,
Alessandra Serva
,
Marie-Pierre Gaigeot
Journal articles
hal-02110445v1
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Inverse Correlation between Amyloid Stiffness and Size
Roy Nassar
,
Eric Wong
,
Jörg Gsponer
,
Guillaume Lamour
Journal articles
hal-02104557v1
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Roles of Hydration for Inducing Decomposition of 2-Deoxy- d -ribose by Ionization of Oxygen K -Shell Electrons
Kentaro Fujii
,
Yudai Izumi
,
Ayumi Narita
,
Krishna Kamol Ghose
,
Pablo Lopez-Tarifa
,
et al.
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hal-02104384v1
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Unimolecular Fragmentation of Deprotonated Diproline [Pro2 -H]− Studied by Chemical Dynamics Simulations and IRMPD Spectroscopy
Ana Martín-Sómer
,
Jonathan Martens
,
Josipa Grzetic
,
William L. Hase
,
Jos Oomens
,
et al.
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hal-02104393v1
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Threshold for shattering fragmentation in collision-induced dissociation of the doubly protonated tripeptide TIK(H+ )2
Veronica Macaluso
,
Zahra Homayoon
,
Riccardo Spezia
,
William L. Hase
Journal articles
hal-02104396v1
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