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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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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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3D Cryo-Electron Microscopy Reveals the Structure of a 3-Fluorenylmethyloxycarbonyl Zipper Motif Ensuring the Self-Assembly of Tripeptide Nanofibers
Alexis Bigo-Simon
,
Leandro Estrozi
,
Alain Chaumont
,
Rachel Schurhammer
,
Guy Schoehn
et al.
Article dans une revue
hal-04893385
v1
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Mechanistic Insights into Hyaluronic Acid Induced Peptide Nanofiber Organization in Supramolecular Hydrogels
Jennifer Rodon Fores
,
Miryam Criado-Gonzalez
,
Lucille Blandin
,
Jean-Yves Runser
,
Bernard Senger
et al.
Article dans une revue
hal-04976741
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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Implementation of a soft grading system for chemistry in a Moodle plugin
Louis Plyer
,
Gilles Marcou
,
Céline Perves
,
Rachel Schurhammer
,
Alexandre Varnek
Article dans une revue
hal-04887384
v1
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Encapsulated Neutral Ruthenium Catalyst for Substrate‐Selective Oxidation of Alcohols
Shaïma Hkiri
,
Maxime Steinmetz
,
Rachel Schurhammer
,
David Sémeril
Article dans une revue
hal-04022414
v1
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Encapsulated Neutral Ruthenium Catalyst for Substrate‐Selective Oxidation of Alcohols
Shaima Hkiri
,
Maxime Steinmetz
,
Rachel Schurhammer
,
David Sémeril
Article dans une revue
hal-04241225
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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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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Dihomooxacalix[4]arene-Based Fluorescent Receptors for Anion and Organic Ion Pair Recognition
Alexandre S. Miranda
,
Paula M. Marcos
,
José R. Ascenso
,
Mário N. Berberan-Santos
,
Rachel Schurhammer
et al.
Article dans une revue
hal-03022796
v1
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Protected Amino Acid-Based Hydrogels Incorporating Carbon Nanomaterials for Near-Infrared Irradiation-Triggered Drug Release
Chloé Guilbaud-Chéreau
,
Bhimareddy Dinesh
,
Rachel Schurhammer
,
Dominique Collin
,
Alberto Bianco
et al.
Article dans une revue
hal-03508546
v1
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Extraction and complexation of lanthanide ions by dihomooxacalix[4]arene and calix[4]arene tetraketone derivatives: An experimental and molecular dynamics investigation
Joel Fonseca
,
Paula Marcos
,
José Ascenso
,
Sylvia Michel
,
Véronique Hubscher-Bruder
et al.
Article dans une revue
hal-02566644
v1
|
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Enzymatic Degradation of Graphene Quantum Dots by Human Peroxidases
Cristina Martin-Jimenez
,
Gong Jun
,
Rachel Schurhammer
,
Giacomo Reina
,
Peng Chen
et al.
Article dans une revue
hal-02435546
v1
|
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Formation of Aqueous Biphasic Systems with an Ionic Liquid Induced by Metallic Salts: Nanoscopic Views from Molecular Dynamics Simulations
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
hal-02329986
v1
|
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Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces
Minghui Yuan
,
Iori Tanabe
,
Jean-Marie Brenard-Schaaf
,
Qin-Yin Shi
,
Vicki Schlegel
et al.
Article dans une revue
hal-02465496
v1
|
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Acid extraction to a hydrophobic ionic liquid: the role of added tributylphosphate investigated by experiments and simulations
C. Gaillard
,
V. Mazan
,
S. Georg
,
O. Klimchuk
,
M. Sypula
et al.
Article dans une revue
in2p3-00688071
v1
|
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Substituent effects on BTP's basicity and complexation properties with Ln(III) lanthanide ions
Gael Benay
,
Rachel Schurhammer
,
Jérémy Desaphy
,
Georges Wipff
New Journal of Chemistry, 2011, 35 (1), pp.184-189
Article dans une revue
hal-02966371
v1
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Basicity, complexation ability and interfacial behavior of BTBPs: a simulation study
G. Benay
,
R. Schurhammer
,
G. Wipff
Article dans une revue
hal-02330002
v1
|
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Liquid−Liquid Extraction of Pertechnetic Acid (Tc VII ) by Tri- n -butyl Phosphate: Where Is the Proton? A Molecular Dynamics Investigation
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
hal-02330007
v1
|
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Simulation and UV-visible spectra of organic dyes in subcritical and supercritical carbon dioxide
Claude Millot
,
Rachel Schurhammer
,
Etienne Engler
,
Georges Wipff
Article dans une revue
hal-03252824
v1
|
|
BTP-based ligands and their complexes with Eu3+ at “oil”/water interfaces. A molecular dynamics study
Gael Benay
,
Rachel Schurhammer
,
George Wipff
Article dans une revue
hal-04839878
v1
|
|
Complexation of Cs+, K+ and Na+ by norbadione A triggered by the release of a strong hydrogen bond : nature and stability of the complexes
Paul Kuad
,
Rachel Schurhammer
,
Clarisse Maechling
,
Cyril Antheaume
,
Charles Mioskowski
et al.
Article dans une revue
istex
hal-03258837
v1
|
|
Conformational and Cs + complexation properties of norbadione-A: a molecular modeling study
R. Schurhammer
,
R. Diss
,
B. Spiess
,
G. Wipff
Article dans une revue
hal-04867993
v1
|
|
Supramolecular interactions of cryptates in concentrated solutions
Pierre Jost
,
Nicolas Galand
,
Rachel Schurhammer
,
Georges Wipff
Solvent Extraction and Ion Exchange, 2007, 25 (2), pp.257-271
Article dans une revue
hal-03165797
v1
|
|
Synergistic effect of dicarbollide anions in liquid-liquid extraction: a molecular dynamics study at the octanol-water interface
Guillaume Chevrot
,
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
istex
hal-03258858
v1
|
|
Solvation of uranium hexachloro complexes in room-temperature ionic liquids. A molecular dynamics investigation in two liquids
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry B, 2007, 111 (18), pp.4659-4668
Article dans une revue
hal-03165796
v1
|
|
Molecular dynamics study of dicarbollide anions in nitrobenzene solution and at its aqueous interface. Synergistic effect in the Eu(III) assisted extraction
Guillaume Chevrot
,
Rachel Schurhammer
,
Georges Wipff
Physical Chemistry Chemical Physics, 2007, 9 (44), pp.5928-5938
Article dans une revue
hal-02977110
v1
|
|
Surfactant Behavior of “Ellipsoidal” Dicarbollide Anions: A Molecular Dynamics Study
G. Chevrot
,
R. Schurhammer
,
G. Wipff
Article dans une revue
istex
hal-04868740
v1
|
|
Molecular dynamics simulations of the aqueous interface with the [BMI][PF6] ionic liquid
Guillaume Chevrot
,
Rachel Schurhammer
,
Georges Wipff
Physical Chemistry Chemical Physics, 2006, 8 (36), pp.4166-4174
Article dans une revue
hal-03164480
v1
|
|
Effect of the TBP and Water on the Complexation of Uranyl Nitrate and the Dissolution of Nitric Acid into Supercritical CO2. A Theoretical Study
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry A, 2006, 109
Article dans une revue
hal-00016640
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
|
|
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
|
|
Effect of the TBP and water on the complexation of uranyl nitrate and the dissolution of nitric acid into supercritical CO2 - A theoretical study
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry A, 2005, 109 (23), pp.5208-5216
Article dans une revue
hal-02977102
v1
|
|
Photophysical and structural impact of phosphorylated anions associated to lanthanide complexes in water
Loic Charbonniere
,
Rachel Schurhammer
,
Samir Mameri
,
Georges Wipff
,
Raymond Ziessel
Inorganic Chemistry, 2005, 44 (20), pp.7151-7160
Article dans une revue
hal-03165783
v1
|
|
Effect of the TBP and water on the complexation of uranyl nitrate and the dissolution of nitric acid into supercritical CO2. A theoretical study.
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry A, 2005, 109, pp.5208-5216
Article dans une revue
hal-00015202
v1
|
|
Hydronium ion complex of 18-crown-6
Michael Buhl
,
Ralf Ludwig
,
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry A, 2004, 108 (51), pp.11463-11468
Article dans une revue
hal-02977085
v1
|
|
Distribution of hydrophobic ions and their counterions at an aqueous liquid-liquid interface
Benoit Schnell
,
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry B, 2004, 108 (7), pp.2285-2294
Article dans une revue
hal-02951771
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
|
|
Extraction d'ions par le CO 2 supercritique. Apport des simulations de Dynamique Moléculaire.
Rachel Schurhammer
L'Actualité Chimique, 2004, pp.23-28
Article dans une revue
hal-03600905
v1
|
|
Ion extraction to supercritical CO2. Contribution from the molecular dynamics simulations
Rachel Schurhammer
L'Actualité Chimique, 2004, pp.23-28
Article dans une revue
hal-02977084
v1
|
|
Peroxovanadate imidazole complexes as catalysts for olefin epoxidation
Michael Buhl
,
Rachel Schurhammer
,
Petra Imhof
Journal of the American Chemical Society, 2004, 126 (10), pp.3310-3320
Article dans une revue
hal-02986420
v1
|
|
Uranyl extraction by TBP from a nitric aqueous solution to SC-CO2 : MD Simulations of Phase Demixing and Interfacial Systems.
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
hal-03164479
v1
|
|
Theoretical Studies on Lanthanide Cation Extraction by Picolinamides: Ligand–Cation Interactions and Interfacial Behavior
Marc Baaden
,
Frédéric Berny
,
Charles Madic
,
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
hal-02951773
v1
|
|
18-Crown-6 and its hydrates
Rachel Schurhammer
,
Philippe Vayssiere
,
Georges Wipff
Journal of Physical Chemistry A, 2003, 107 (50), pp.11128-11138
Article dans une revue
hal-02934007
v1
|
|
The 222 cryptand and its cryptates at the water/"oil" interface
Pierre Jost
,
Nicolas Galand
,
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
istex
hal-04599701
v1
|
|
Interfacial activity of nitric acid at the water supercritical CO2 interface: a molecular dynamics investigation
Rachel Schurhammer
,
Georges Wipff
New Journal of Chemistry, 2002, 26 (2), pp.229-233
Article dans une revue
hal-03164469
v1
|
|
Molecular dynamics study of the uranyl extraction by tri-n-butylphosphate (TBP): Demixing of water/"oil"/TBP solutions with a comparison of supercritical CO2 and chloroform
Marc Baaden
,
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
istex
hal-03165795
v1
|
|
Hydrophobic Ions in TIP5P Water and at a Water−Chloroform Interface: The Effect of Sign Inversion Investigated by MD and FEP Simulations
Rachel Schurhammer
,
Etienne Engler
,
Georges Wipff
Article dans une revue
istex
hal-04840760
v1
|
|
About the TATB assumption : effect of charge reversal on transfer of large spherical ions from aqueous to non-aqueous solvents and on their interfacial behaviour [J. Mol. Struct. (Theochem) 500 (2000) 139±155]
Rachel Schurhammer
,
Georges Wipff
Journal of Molecular Structure: THEOCHEM, 2001, 536 (2-3), pp.289-289
Article dans une revue
hal-02934022
v1
|
|
Importance of interfacial phenomena in assisted ion extraction by supercritical CO2
Rachel Schurhammer
,
Frédéric Berny
,
Georges Wipff
Physical Chemistry Chemical Physics, 2001, 3 (5), pp.647-656
Article dans une revue
hal-03165791
v1
|
|
Halide anion recognition in water by a hexaprotonated octaaza-cryptand: A molecular dynamics investigation
Pierre Jost
,
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
istex
hal-03136794
v1
|
|
Distribution of hydrophilic, amphiphilic and hydrophobic ions at a liquid/liquid interface
Frédéric Berny
,
Rachel Schurhammer
,
Georges Wipff
Inorganica Chimica Acta, 2000, 300, pp.384-394
Article dans une revue
hal-03202450
v1
|
|
About the TATB assumption
Rachel Schurhammer
,
Georges Wipff
Journal of Molecular Structure: THEOCHEM, 2000, 500, pp.139-155
Article dans une revue
hal-02923291
v1
|
|
Are the hydrophobic AsPh4+ and BPh4- ions equally solvated?
Rachel Schurhammer
,
Georges Wipff
Journal of Physical Chemistry A, 2000, 104 (47), pp.11159-11168
Article dans une revue
hal-03142298
v1
|
|
About the TATB assumption: effect of charge reversal on transfer of large spherical ions from aqueous to non-aqueous solvents and on their interfacial behaviour
Rachel Schurhammer
,
Georges Wipff
Journal of Molecular Structure: THEOCHEM, 2000, 500, pp.139-155
Article dans une revue
hal-02933988
v1
|
|
Interaction of trivalent lanthanide cations with phosphoryl derivatives, amide, anisole, pyridine and triazine ligands: a quantum mechanics study
Marc Baaden
,
Frédéric Berny
,
Christian Boehme
,
Nicolas Muzet
,
Rachel Schurhammer
et al.
Article dans une revue
hal-02956544
v1
|
|
Are the Hydrophobic AsPh 4 + and BPh 4 - Ions Equally Solvated? A Theoretical Investigation in Aqueous and Nonaqueous Solutions Using Different Charge Distributions
R. Schurhammer
,
G. Wipff
Article dans une revue
hal-04840783
v1
|
|
About the TATB hypothesis
Rachel Schurhammer
,
Georges Wipff
New Journal of Chemistry, 1999, 23 (4), pp.381-391
Article dans une revue
hal-02923292
v1
|
|
About the TATB hypothesis: solvation of the Asϕ4+ and Bϕ4- ions and their tetrahedral and spherical analogues in aqueous/nonaqueous solvents and at a water–chloroform interface
Rachel Schurhammer
,
Georges Wipff
Article dans une revue
istex
hal-04916022
v1
|
|
Interaction of M3+ lanthanide cations with phosphoryl containing (alkyl)(3)P=O versus (alkyl-O)(3)P=O ligands: steric effects are more important than basicity effects
Rachel Schurhammer
,
Vincent Erhart
,
Georges Wipff
Journal of the Chemical Society-Perkin Transactions 2, 1999, 11, pp.2423-2431
Article dans une revue
hal-03049606
v1
|