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Structure: Internal structure identifier : 1061630

DFT-MD of the (110)-Co3O4 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 of Chemical Physics, 2019, 150 (4), pp.041721. ⟨10.1063/1.5053729⟩
Journal articles hal-02104556v1

Translocation of Sequence-Controlled Synthetic Polymers through Biological Nanopores

Mordjane Boukhet , Niklas Felix König , Abdelaziz Al Ouahabi , Gerhard Baaken , Jean-François Lutz , et al.
Biophysical Journal, 2018, 114 (3), pp.182a. ⟨10.1016/j.bpj.2017.11.1013⟩
Journal articles hal-02407184v1

Templated polycondensation of aminopropyltrimethoxysilane on DNA

N. Jarroux , M.J. Clément , M. Gervais , S. Moriau , O. Maciejak , et al.
European Polymer Journal, 2018, 103, pp.95-100. ⟨10.1016/J.EURPOLYMJ.2017.09.045⟩
Journal articles hal-02110163v1

2D H-Bond Network as the Topmost Skin to the Air–Water Interface

Simone Pezzotti , Daria Ruth Galimberti , Marie-Pierre Gaigeot
Journal of Physical Chemistry Letters, 2017, 8 (13), pp.3133-3141. ⟨10.1021/ACS.JPCLETT.7B01257⟩
Journal articles hal-02110171v1

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
Journal of Biomolecular Structure and Dynamics, 2017, 35 (2), pp.399-412. ⟨10.1080/07391102.2016.1145142⟩
Journal articles hal-02110176v1

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

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.
Cellulose, 2019, 26 (8), pp.4957-4970. ⟨10.1007/s10570-019-02419-8⟩
Journal articles 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

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⟩
Journal articles hal-01575063v1

How Does CeIII Nitrate Dissolve in a Protic Ionic Liquid? A Combined Molecular Dynamics and EXAFS Study

Serva Alessandra , Valentina Migliorati , Riccardo Spezia , Paola d'Angelo
Chemistry - A European Journal, 2017, 23 (35), pp.8424-8433. ⟨10.1002/chem.201604889⟩
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⟩
Journal articles 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.
Corrosion Science, 2018, 136, pp.70-90. ⟨10.1016/j.corsci.2018.02.052⟩
Journal articles cea-01736952v1

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 of Molecular Structure, 2018, 1165, pp.71-78. ⟨10.1016/j.molstruc.2018.03.074⟩
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⟩
Journal articles 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.
Oncotarget, 2017, 8 (34), pp.56228-56242. ⟨10.18632/ONCOTARGET.17280⟩
Journal articles hal-02110180v1

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
Physical Chemistry Chemical Physics, 2019, 21 (40), pp.22188-22202. ⟨10.1039/C9CP02766A⟩
Journal articles hal-02572341v1

Thermodynamics of 5-Bromouracil Tautomerization From First-Principles Molecular Dynamics Simulations

Jenée Cyran , Michael Donovan , Doris Vollmer , Flavio Siro Brigiano , Simone Pezzotti , et al.
Elsevier, 116 (5), pp.109-128, 2019, ⟨10.1016/bs.aiq.2018.05.001⟩
Book sections hal-02572267v1

Electrochemical Behavior of Stainless Steels for Sudomotor Dysfunction Applications

A. Calmet , N. Vejar , X. Gonzalez , M. Sancy , A. Ringuedé , et al.
Electroanalysis, 2018, 30 (1), pp.162-169. ⟨10.1002/elan.201700464⟩
Journal articles 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.
ACS Sensors, 2019, 4 (3), pp.530-548. ⟨10.1021/acssensors.8b01636⟩
Journal articles hal-02063213v1

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
European Physical Journal E: Soft matter and biological physics, 2018, 41 (58), ⟨10.1140/epje/i2018-11661-4⟩
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.
European Journal of Pharmaceutics and Biopharmaceutics, 2017, 117, pp.168-181. ⟨10.1016/j.ejpb.2017.04.015⟩
Journal articles 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
Conference papers 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.
Frontiers in Immunology, 2018, 9, pp.179. ⟨10.3389/fimmu.2018.00179⟩
Journal articles hal-01966724v1

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.
Faraday Discussions, 2019, 217 (67-97), ⟨10.1039/C8FD00211H⟩
Journal articles hal-02082493v1

Double differential cross sections for liquid water ionization by fast electron impact

Maria Laura De Sanctis , Marie-Françoise Politis , Rodolphe Vuilleumier , Carlos R. Stia , Omar A. Fojón
The European Physical Journal D : Atomic, molecular, optical and plasma physics, 2017, 71 (5), pp.125. ⟨10.1140/EPJD/E2017-70615-Y⟩
Journal articles hal-02110179v1

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 of Chemical Physics, 2018, 148 (17), pp.174701. ⟨10.1063/1.5018096⟩
Journal articles hal-02110445v1

Inverse Correlation between Amyloid Stiffness and Size

Roy Nassar , Eric Wong , Jörg Gsponer , Guillaume Lamour
Journal of the American Chemical Society, 2019, 141 (1), pp.58-61. ⟨10.1021/JACS.8B10142⟩
Journal articles hal-02104557v1

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.
Radiation Research, 2018, 189 (3), pp.264-272. ⟨10.1667/RR14225.1⟩
Journal articles hal-02104384v1

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.
Journal of Physical Chemistry A, 2018, 122 (10), pp.2612-2625. ⟨10.1021/acs.jpca.7b11873⟩
Journal articles hal-02104393v1

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
Physical Chemistry Chemical Physics, 2018, 20 (30), pp.19744-19749. ⟨10.1039/C8CP02577K⟩
Journal articles hal-02104396v1