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Evaluating the strength of molecular interactions in a deep eutectic solvent (DES) by means of ionization mechanisms involved in cold-spray ionization mass spectrometry and by DFT calculations
Emilie Bertrand
,
Camille Cousseau
,
Swaroop Kunapuli
,
Thomas Delhaye
,
Rachel Schurhammer
et al.
Article dans une revue
hal-05443999
v1
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Influence of peptides chirality on their protein-triggered supramolecular hydrogelation
Shahaji More
,
Tetiana Dorosh
,
Jean-Yves Runser
,
Alexis Bigo-Simon
,
Rachel Schurhammer
et al.
Article dans une revue
hal-05041827
v1
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Stable Mg 2+ Dication Weakly Stabilized/Coordinated in Solution: Synthesis, Structure, Reactivity, and Use in Catalysis
Xuejuan Xu
,
Alain Chaumont
,
Christophe Gourlaouen
,
Satawat Tongdee
,
Sandip Munshi
et al.
Article dans une revue
hal-05216710
v1
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Counteranion effect on the RAFT polymerization of methacrylate-g-pentaarginine and its UCST-type thermoresponsive behavior
Amélie Augé
,
Tetiana Dorosh
,
Ayoub Rachdi
,
Quentin Bievelot
,
Alain Chaumont
et al.
Article dans une revue
hal-05218688
v1
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Synthesis, Characterization, and Properties of a Titanium(IV)-Tetrathiafulvalene-Based Complex
Jaison Casas
,
Stéphane Baudron
,
Antoine Bonnefont
,
Alain Chaumont
,
Jérôme Chauvin
et al.
Article dans une revue
hal-04589532
v1
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Self‐Assembled Bis‐Acridinium Tweezer Equilibria Controlled by Multi‐Responsive Properties
Johnny Hu
,
Jean‐pierre Launay
,
Alain Chaumont
,
Valérie Heitz
,
Henri‐pierre Jacquot de Rouville
Article dans une revue
hal-04727565
v1
|
|
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A Chiral [2 + 3] Covalent Organic Cage Based on 1,1’‐Bi‐2‐naphthol (BINOL) Units
Midhun Mohan
,
David-Jérôme Pham
,
Audrey Fluck
,
Simon Chapuis
,
Alain Chaumont
et al.
Article dans une revue
hal-04523512
v1
|
|
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Circular Heterochiral Titanium-Based Self-Assembled Architectures
Pierre Mobian
,
David-Jérôme Pham
,
Alain Chaumont
,
Laurent Barloy
,
Georges Khalil
et al.
Article dans une revue
hal-04574669
v1
|
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On the Solvation Properties of Menthol‐Thymol Mixtures. A Molecular Dynamics Investigation
T. Dorosh
,
T. Mangin
,
E. Engler
,
R. Schurhammer
,
A. Chaumont
Article dans une revue
hal-04806929
v1
|
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3D Cryo-Electron Microscopy Reveals the Structure of a 3-Fluorenylmethyloxycarbonyl Zipper Motif Ensuring the Self-Assembly of Tripeptide Nanofibers
Alexis Bigo-Simon
,
Leandro F. Estrozi
,
Alain Chaumont
,
Rachel Schurhammer
,
Guy Schoehn
et al.
Article dans une revue
hal-04779727
v1
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|
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Spectroscopic evidence of the interaction of titanium(IV) coordination complexes with a phosphate head group in phospholipids
Matthieu Scarpi-Luttenauer
,
Zahia Boubegtiten-Fezoua
,
Petra Hellwig
,
Alain Chaumont
,
Bruno Vincent
et al.
Article dans une revue
hal-04988293
v1
|
|
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Mechanistic Insights into Hyaluronic Acid Induced Peptide Nanofiber Organization in Supramolecular Hydrogels
Alexis Bigo-Simon
,
Jennifer Rodon Fores
,
Miryam Criado Gonzalez
,
Lucille Blandin
,
Jean-Yves Runser
et al.
Article dans une revue
hal-04184486
v1
|
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Going up the ladder: Stacking four 4,4'-bipyridine moieties within a Ti(IV)-based tetranuclear architecture
Jean Joseph
,
Pierre Mobian
,
Alain Chaumont
,
Jennifer Wytko
,
Jean Weiss
Article dans une revue
hal-03838990
v1
|
|
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Near-infrared Responsive Nanocomposite Hydrogels Made from Enzyme-Coated Carbon Nanotubes@ Large Pore Mesoporous Silica for Remotely Triggered Drug Delivery
Bing Li
,
Alexandre Adam
,
Miryam Criado-Gonzalez
,
Loïc Jierry
,
Joëlle Bizeau
et al.
Article dans une revue
hal-03872647
v1
|
|
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Hydrogen Bonding and Vaporization Thermodynamics in Hexafluoroisopropanol‐Acetone and ‐Methanol Mixtures. A Joined Cluster Analysis and Molecular Dynamic Study
Gwydyon Marchelli
,
Johannes Ingenmey
,
Oldamur Hollóczki
,
Alain Chaumont
,
Barbara Kirchner
Article dans une revue
hal-03826113
v1
|
|
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Chemistry on the Complex: Derivatization of TiO 4 N 2 ‐Based Complexes and Application to Multi‐Step Synthesis
Matthieu Scarpi Luttenauer
,
Nathalie Kyritsakas
,
Alain Chaumont
,
Pierre Mobian
Article dans une revue
hal-03471663
v1
|
|
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Cold-spray ionization mass spectrometry of the choline chloride-urea deep eutectic solvent (reline)
Lucie Percevault
,
Thomas Delhaye
,
Alain Chaumont
,
Rachel Schurhammer
,
Ludovic Paquin
et al.
Article dans une revue
hal-03223162
v1
|
|
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Bent 1,10-Phenanthroline Ligands within Octahedral Complexes Constructed around a TiO 4 N 2 Core
Matthieu Scarpi Luttenauer
,
Loris Geminiani
,
Pauline Lebrun
,
Nathalie Kyritsakas
,
Alain Chaumont
et al.
Article dans une revue
hal-04587870
v1
|
|
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Is Charge Scaling Really Mandatory when Developing Fixed-Charge Atomistic Force Fields for Deep Eutectic Solvents?
Alain Chaumont
,
Etienne Engler
,
Rachel Schurhammer
Article dans une revue
hal-03022802
v1
|
|
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Reversible soft-mechanochemical control of biaryl conformations through crosslinking in a 3D macromolecular network
Julien B Kelber
,
Amina Bensalah-Ledoux
,
Sarah Zahouani
,
Bruno Baguenard
,
Pierre Schaaf
et al.
Article dans une revue
hal-02988194
v1
|
|
|
Unexpected aqueous UCST behavior of a cationic comb polymer with pentaarginine side chains
Nicolas Zydziak
,
Muhammad Haseeb Iqbal
,
Alain Chaumont
,
Antoine Combes
,
Emeric Wasielewski
et al.
Article dans une revue
hal-02459149
v1
|
|
|
Dipyrrolyldiketonato Titanium(IV) Complexes from Monomeric to Multinuclear Architectures: Synthesis, Stability, and Liquid-Crystal Properties
Alexandra Schmidt
,
Benoit Heinrich
,
Guillaume Kirscher
,
Alain Chaumont
,
Marc Henry
et al.
Article dans une revue
hal-03412227
v1
|
|
|
Autonomous growth of spatially localized supramolecular hydrogel through emergence of autocatalytic ability
Jennifer Rodon Fores
,
Miryam Criado-Gonzalez
,
Alain Chaumont
,
Alain Carvalho
,
Christian Blanck
et al.
Article dans une revue
hal-02875587
v1
|
|
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A Bis‐Acridinium Macrocycle as Multi‐Responsive Receptor and Selective Phase Transfer Agent of Perylene
Johnny Hu
,
Jas S Ward
,
Alain Chaumont
,
Kari Rissanen
,
Jean-Marc Vincent
et al.
Article dans une revue
hal-02983480
v1
|
|
|
Supramolecular Hydrogel Induced by Electrostatic Interactions between Polycation and Phosphorylated-Fmoc- tripeptide
Miryam Criado-Gonzalez
,
Déborah Wagner
,
Jennifer Rodon Fores
,
Christian Blanck
,
Marc Schmutz
et al.
Article dans une revue
hal-02479775
v1
|
|
|
Symmetry Decrease between Self-Assembled Circular TiO 4 N 2 -Based Helicates
Georges Khalil
,
Laurent Barloy
,
Nathalie Kyritsakas
,
Brice Kauffmann
,
Alain Chaumont
et al.
Article dans une revue
hal-02998702
v1
|
|
|
The Motion of an Azobenzene Light‐Controlled Switch: A Joint Theoretical and Experimental Approach
Bérangère Godde
,
Abdelaziz Jouaiti
,
Matteo Mauro
,
Roberto Marquardt
,
Alain Chaumont
et al.
Article dans une revue
hal-03011738
v1
|
|
|
Supported Catalytically-Active Supramolecular Hydrogels for Continuous Flow Chemistry
Jennifer Rodon Fores
,
Miryam Criado-Gonzalez
,
Alain Chaumont
,
Alain Carvalho
,
Christian Blanck
et al.
Article dans une revue
hal-02322226
v1
|
|
|
Evaluation of the stereoselectivity for titanium(IV)-based coordination entities induced by the enantiopure diphenylethene-1,2-diamine ligand
Emilie Macker
,
Laurent Barloy
,
Alain Chaumont
,
Nathalie Kyritsakas
,
Bruno Vincent
et al.
Article dans une revue
hal-02353903
v1
|
|
|
Mimicking the Chemistry of Natural Eumelanin Synthesis: The KE Sequence in Polypeptides and in Proteins Allows for a Specific Control of Nanosized Functional Polydopamine Formation
Camille Bergtold
,
Daniel Hauser
,
Alain Chaumont
,
Salima El Yakhlifi
,
Mihaela Mateescu
et al.
Article dans une revue
hal-02185304
v1
|
|
|
Assembly Mechanism of Zr-Containing and Other TM-Containing Polyoxometalates
Pablo Jiménez-Lozano
,
Albert Solé-Daura
,
Georges Wipff
,
Josep Poblet
,
Alain Chaumont
et al.
Article dans une revue
hal-04264599
v1
|
|
|
Control of Surface-Localized, Enzyme-Assisted Self-Assembly of Peptides through Catalyzed Oligomerization
Cécile Vigier-Carrière
,
Déborah Wagner
,
Alain Chaumont
,
Baptiste Durr
,
Paolo Lupattelli
et al.
Article dans une revue
hal-02323480
v1
|
|
|
Monomeric Ti(IV)-based complexes incorporating luminescent nitrogen ligands: synthesis, structural characterization, emission spectroscopy and cytotoxic activities
Georges Khalil
,
Christophe Orvain
,
Lu Fang
,
Laurent Barloy
,
Alain Chaumont
et al.
Article dans une revue
hal-02353930
v1
|
|
|
Titanium oxo-clusters derivatized from the Ti10O12(cat)8(py)8 complex: structural investigation and spectroscopic studies of light absorption
Clément Chaumont
,
Alain Chaumont
,
Nathalie Kyritsakas
,
Pierre Mobian
,
Marc Henry
Article dans une revue
hal-04575453
v1
|
|
|
Identification of Zr(IV)-based architectures generated from ligands incorporating the 2,2′-biphenolato unit
Chengrui Miao
,
Georges Khalil
,
Alain Chaumont
,
Pierre Mobian
,
Marc Henry
Article dans une revue
hal-04577103
v1
|
|
|
Formation of Long, Multicenter π‐[TCNE] 2 2− Dimers in Solution: Solvation and Stability Assessed through Molecular Dynamics Simulations
Marçal Capdevila-Cortada
,
Jordi Ribas-Arino
,
Alain Chaumont
,
Georges Wipff
,
Juan Novoa
Article dans une revue
hal-04839531
v1
|
|
|
Stretch-Induced Helical Conformations in Poly( l -lysine)/Hyaluronic Acid Multilayers
Sarah Zahouani
,
Alain Chaumont
,
Bernard Senger
,
Fouzia Boulmedais
,
Pierre Schaaf
et al.
Article dans une revue
hal-02323529
v1
|
|
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Distributed Polarizability Models for Imidazolium-Based Ionic Liquids
Claude Millot
,
Alain Chaumont
,
Etienne Engler
,
Georges Wipff
Article dans une revue
hal-04577075
v1
|
|
|
Interactions between Keggin Anions in Water: The Higher Their Charge, the Higher Their Condensation? A Simulation Study
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-04751268
v1
|
|
|
Nature of Zr-Monosubstituted Monomeric and Dimeric Polyoxometalates in Water Solution at Different pH Conditions: Static Density Functional Theory Calculations and Dynamic Simulations
Pablo Jiménez-Lozano
,
Jorge Carbó
,
Alain Chaumont
,
Josep Poblet
,
Antonio Rodríguez-Fortea
et al.
Article dans une revue
hal-04839631
v1
|
|
|
Speciation of La(III) Chloride Complexes in Water and Acetonitrile: A Density Functional Study
Michael Bühl
,
Nicolas Sieffert
,
Aurélie Partouche
,
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-01654987
v1
|
|
|
Perrhenate Complexation by Uranyl in Traditional Solvents and in Ionic Liquids: A Joint Molecular Dynamics/Spectroscopic Study
A. Chaumont
,
O. Klimchuk
,
C. Gaillard
,
I. Billard
,
A. Ouadi
et al.
Article dans une revue
in2p3-00690834
v1
|
|
|
Unraveling the Role of Water in the Stereoselective Step of Aqueous Proline‐Catalyzed Aldol Reactions
Jordi Ribas-Arino
,
Maria Angels Carvajal
,
Alain Chaumont
,
Marco Masia
Article dans une revue
istex
hal-04840005
v1
|
|
|
Bromide Complexation by the Eu III Lanthanide Cation in Dry and Humid Ionic Liquids: A Molecular Dynamics PMF Study
Alain Chaumont
,
Georges Wipff
Article dans une revue
istex
hal-04600512
v1
|
|
|
Water versus Acetonitrile Coordination to Uranyl. Effect of Chloride Ligands
Michael Bühl
,
Nicolas Sieffert
,
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-01655008
v1
|
|
|
THE CONTINUING SEARCH FOR LARGE ELITE PRIMES
Alain Chaumont
,
Johannes Leicht
,
Tom Müller
,
Andreas Reinhart
Article dans une revue
hal-04840694
v1
|
|
|
Do Keggin anions repulse each other in solution? The effect of solvent, counterions and ion representation investigated by free energy (PMF) simulations
Alain Chaumont
,
Georges Wipff
Article dans une revue
istex
hal-04839893
v1
|
|
|
Water versus Acetonitrile Coordination to Uranyl. Density Functional Study of Cooperative Polarization Effects in Solution
Michael Bühl
,
Nicolas Sieffert
,
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-01655656
v1
|
|
|
Interfacial Activity of the Diprotonated 222 Cryptand at the Water/"Oil" Interface Revealed by Molecular Dynamics Simulations
Pierre Jost
,
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-04840775
v1
|
|
|
Strontium Nitrate Extraction to Ionic Liquids by a Crown Ether: A Molecular Dynamics Study of Aqueous Interfaces with C 4 mim + - vs C 8 mim + -Based Ionic Liquids
A. Chaumont
,
G. Wipff
Article dans une revue
hal-04839795
v1
|
|
|
Competitive Complexation of Nitrates and Chlorides to Uranyl in a Room Temperature Ionic Liquid
C. Gaillard
,
A. Chaumont
,
I. Billard
,
C. Hennig
,
A. Ouadi
et al.
Article dans une revue
in2p3-00589500
v1
|
|
|
Solvation of Ln (III) Lanthanide Cations in the [BMI][SCN], [MeBu 3 N][SCN], and [BMI] 5 [Ln(NCS) 8 ] Ionic Liquids: A Molecular Dynamics Study
A. Chaumont
,
G. Wipff
Article dans une revue
hal-04840612
v1
|
|
|
Importance of the Liquid−Liquid Interface in Assisted Ion Extraction: New Molecular Dynamics Studies of Cesium Picrate Extraction by a Calix[4]arene
Nicolas Sieffert
,
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-01658994
v1
|
|
|
Ion aggregation in concentrated aqueous and methanol solutions of polyoxometallates Keggin anions: the effect of counterions investigated by molecular dynamics simulations
Alain Chaumont
,
Georges Wipff
Article dans une revue
istex
hal-04910348
v1
|
|
|
Potential Proton‐Release Channels in Bacteriorhodopsin
Alain Chaumont
,
Marcel Baer
,
Gerald Mathias
,
Dominik Marx
Article dans une revue
istex
hal-04840594
v1
|
|
|
Chloride Complexation by Uranyl in a Room Temperature Ionic Liquid. A Computational Study
Alain Chaumont
,
Georges Wipff
Article dans une revue
istex
hal-04840193
v1
|
|
|
Uranyl coordination in ionic liquids: The competition between ionic liquid anions, uranyl counterions, and Cl- anions investigated by extended X-ray absorption fine structure and UV-visible spectroscopies and molecular dynamics simulations
C. Gaillard
,
A. Chaumont
,
I. Billard
,
C. Hennig
,
A. Ouadi
et al.
Article dans une revue
in2p3-00166539
v1
|
|
|
Solvation of “big” spherical solutes in room temperature ionic liquids and at their aqueous interface: A molecular dynamics simulation study
A. Chaumont
,
G. Wipff
Article dans une revue
istex
hal-04868804
v1
|
|
|
All Elite Primes Up to 250 Billion
Alain Chaumont
,
Tom Müller
Journal of Integer Sequences, 2006
Article dans une revue
hal-04601398
v1
|
|
|
Solvation of uranyl–CMPO complexes in dry vs. humid forms of the [BMI][PF 6 ] ionic liquid. A molecular dynamics study
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-04841384
v1
|
|
|
Halide anion solvation and recognition by a macrotricyclic tetraammonium host in an ionic liquid: a molecular dynamics study
Alain Chaumont
,
Georges Wipff
Article dans une revue
istex
hal-04840731
v1
|
|
|
Ab initio molecular dynamics of liquid 1,3-dimethylimidazolium chloride
Michael Buhl
,
Alain Chaumont
,
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
hal-02934016
v1
|
|
|
Aqueous interfaces with hydrophobic room-temperature ionic liquids: A molecular dynamics study
Alain Chaumont
,
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry B, 2005, 109 (40), pp.18964-18973
Article dans une revue
hal-03080905
v1
|
|
|
Solvation of Fluoro and Mixed Fluoro/Chloro Complexes of Eu III in the [BMI][PF6] Room Temperature Ionic Liquid. A Theoretical STudy.
Alain Chaumont
,
Georges Wipff
Physical Chemistry Chemical Physics, 2005, 7, pp.1926-1932
Article dans une revue
hal-00015201
v1
|
|
|
Cation extraction by 18-crown-6 to a room-temperature ionic liquid: The effect of solvent humidity investigated by molecular dynamics simulations
Philippe Vayssière
,
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-04840797
v1
|
|
|
Solvation of fluoro and mixed fluoro/chloro complexes of EuIII in the [BMI][PF6] room temperature ionic liquid. A theoretical studyw
Alain Chaumont
,
Georges Wipff
Physical Chemistry Chemical Physics, 2005, 7, pp.1926-1932
Article dans une revue
hal-00016639
v1
|
|
|
Europium(III) and Its Halides in Anhydrous Room-Temperature Imidazolium-Based Ionic Liquids: A Combined TRES, EXAFS, and Molecular Dynamics Study
C. Gaillard
,
I. Billard
,
A. Chaumont
,
S. Mekki
,
A. Ouadi
et al.
Article dans une revue
istex
in2p3-00025170
v1
|
|
|
Accumulation of host-guest ion complexes with different counterions at the water-supercritical CO2 interface: a molecular dynamics study
Alain Chaumont
,
Nicolas Galand
,
Rachel Schurhammer
,
Philippe Vayssiere
,
Georges Wipff
Russian Chemical Bulletin, 2004, 53 (7), pp.1459-1465
Article dans une revue
hal-02977101
v1
|
|
|
Solvation of Uranyl(II) and Europium(III) Cations and Their Chloro Complexes in a Room-Temperature Ionic Liquid. A Theoretical Study of the Effect of Solvent “Humidity”
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-04841519
v1
|
|
|
M 3+ Lanthanide Chloride Complexes in “Neutral” Room Temperature Ionic Liquids: A Theoretical Study
Alain Chaumont
,
Georges Wipff
Article dans une revue
istex
hal-04841187
v1
|
|
|
Solvation of Uranyl( II ), Europium( III ) and Europium( II ) Cations in “Basic” Room‐Temperature Ionic Liquids: A Theoretical Study
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-04841511
v1
|
|
|
Uranyl and Strontium Salt Solvation in Room-Temperature Ionic Liquids. A Molecular Dynamics Investigation
Alain Chaumont
,
Etienne Engler
,
Georges Wipff
Article dans une revue
istex
hal-04841491
v1
|
|
|
Solvation of M 3+ lanthanide cations in room-temperature ionic liquids. A molecular dynamics investigation
Alain Chaumont
,
Georges Wipff
Article dans une revue
hal-04841408
v1
|
|
|
Halide Anion Capture and Recognition by a Tetrahedral Tetraammonium Receptor in Water: A Molecular Dynamics Investigation
Alain Chaumont
,
Etienne Engler
,
Georges Wipff
Article dans une revue
istex
hal-04840717
v1
|
|
|
Macrotricyclic quaternary tetraammonium receptors: Halide anion recognition and interfacial activity at an aqueous interface. A molecular dynamics investigation
Alain Chaumont
,
Georges Wipff
Article dans une revue
istex
hal-04841172
v1
|