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Inter-Site Cooperativity of Calmodulin N-Terminal Domain and Phosphorylation Synergistically Improve the Affinity and Selectivity for Uranyl
Maria Rosa Beccia
,
Sandrine Sauge-Merle
,
Nicolas Brémond
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David Lemaire
,
Pierre Henri
Journal articles
hal-03861160v1
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Optimized Coordination of Uranyl in Engineered Calmodulin Site 1 Provides a Subnanomolar Affinity for Uranyl and a Strong Uranyl versus Calcium Selectivity
Romain Pardoux
,
Sandrine Sauge-Merle
,
Nicolas Bremond
,
Maria Rosa Beccia
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David Lemaire
Journal articles
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Liquid/liquid interface in periodic boundary condition
Marin Vatin
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Magali Duvail
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Philippe Guilbaud
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Jean-François Dufrêche
Journal articles
hal-03120483v1
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Les actinides leur interaction avec les processus biologiques: où en sommes-nous?
Claude Alban
,
Jean Aupiais
,
Maria Rosa Beccia
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C. Berthomieu
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Damien Bourgeois
L'Actualité Chimique, 2021, 460-461, pp.68-75
Journal articles
hal-03188160v1
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Thermodynamics of malonamide aggregation deduced from molecular dynamics simulations
Marin Vatin
,
Magali Duvail
,
Philippe Guilbaud
,
Jean-François Dufrêche
Journal articles
hal-03201940v1
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Role of the Hydroxo Group in the Coordination of Citric Acid to Trivalent Americium
Christelle Tamain
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Laura Bonato
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Jean Aupiais
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Thomas Dumas
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Dominique Guillaumont
Journal articles
hal-02558018v1
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DEHBA (di-2-ethylhexylbutyramide) gamma radiolysis under spent nuclear fuel solvent extraction process conditions
Gregory Horne
,
Stephen Mezyk
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Bruce Mincher
,
Christopher Zarzana
,
Cathy Rae
Journal articles
hal-02558021v1
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Bifunctional Amidophosphonate Molecules for Uranium Extraction in Nitrate Acidic Media
A. Artese
,
Sandrine Dourdain
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N. Felines
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Guilhem Arrachart
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N. Boubals
Journal articles
hal-03084432v1
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Perrhenate and pertechnetate complexation by an azacryptand in nitric acid medium
Alexiane Thevenet
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Cecile Marie
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Christelle Tamain
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Valeria Amendola
,
Ana Miljkovic
Journal articles
hal-02558026v1
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Effect of chemical environment on the radiation chemistry of N , N -di-(2-ethylhexyl)butyramide (DEHBA) and plutonium retention
Gregory Horne
,
Christopher Zarzana
,
Travis Grimes
,
Cathy Rae
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Joakim Ceder
Journal articles
hal-02558028v1
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Insight of the metal-ligand interaction in f elements complexes by paramagnetic NMR spectroscopy
M. Autillo
,
L. Guerin
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T. Dumas
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M. S. Grigoriev
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A. M. Fedoseev
Journal articles
cea-02339876v1
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Aggregation in organic phases after solvent extraction of uranyl nitrate: X-ray scattering and molecular dynamic simulations
Amaury Paquet
,
Olivier Diat
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Laurence Berthon
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Philippe Guilbaud
Journal articles
hal-02133578v1
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UO$_2$$^{2+}$ structure in solvent extraction phases resolved at molecular and supramolecular scales: a combined molecular dynamics, EXAFS and SWAXS approach
Magali Duvail
,
Thomas Dumas
,
Amaury Paquet
,
Amaury Coste
,
Laurence Berthon
Journal articles
hal-02109047v1
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Probing the existence of uranyl trisulfate structures in the AMEX solvent extraction process
Tamir Sukhbaatar
,
Magali Duvail
,
Thomas Dumas
,
Sandrine Dourdain
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Guilhem Arrachart
Journal articles
hal-02161600v1
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Activity Coefficients of Aqueous Sodium, Calcium, and Europium Nitrate Solutions from Osmotic Equilibrium MD Simulations
Michael Bley
,
Magali Duvail
,
Philippe Guilbaud
,
Jean-François Dufrêche
Journal articles
hal-01998392v1
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Molecular simulation of binary phase diagrams from the osmotic equilibrium method: vapour pressure and activity in water–ethanol mixtures
Michael Bley
,
Magali Duvail
,
Philippe Guilbaud
,
Christophe Penisson
,
Johannes Theisen
Journal articles
cea-01760168v1
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Radiolytic stability of N , N -dialkyl amide: effect on Pu( iv ) complexes in solution
J. Drader
,
N. Boubals
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B. Cames
,
D. Guillaumont
,
P. Guilbaud
Journal articles
cea-02528001v1
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Complexation of Actinide(III) and Lanthanide(III) with H 4 TPAEN for a Separation of Americium from Curium and Lanthanides
Nathalie Boubals
,
Christoph Wagner
,
Thomas Dumas
,
Léa Chanèac
,
Gabriel Manie
Journal articles
cea-02528025v1
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Radiation chemistry of the branched-chain monoamide di-ethylhexyl-isobutyramide
J. Drader
,
G. Saint Louis
,
J.M. Muller
,
M.-C. Charbonnel
,
P. Guilbaud
Journal articles
cea-02418704v1
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The role of curvature effects in liquid–liquid extraction: assessing organic phase mesoscopic properties from MD simulations
Magali Duvail
,
Steven van Damme
,
Philippe Guilbaud
,
Yushu Chen
,
Thomas Zemb
Journal articles
hal-02000001v1
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Stability of reverse micelles in rare-earth separation: a chemical model based on a molecular approach
Yushu Chen
,
Magali Duvail
,
Philippe Guilbaud
,
Jean-François Dufrêche
Journal articles
hal-02000040v1
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Self-assembly of a bio-based extractant in methyl esters: combination of small angle X-ray scattering experiments and molecular dynamics simulations
Donatien Gomes Rodrigues
,
Ophélie Fadel
,
Pierre Bauduin
,
Philippe Guilbaud
,
Annabelle L'Hermitte
Journal articles
hal-02113543v1
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Behaviour of the extractant Me-TODGA upon gamma irradiation: quantification of degradation compounds and individual influences on complexation and extraction
V. Hubscher-Bruder
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V. Mogilireddy
,
S. Michel
,
A. Leoncini
,
J. Huskens
Journal articles
cea-02527987v1
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Structural Analysis of Uranyl Complexation by the EF‐Hand Motif of Calmodulin: Effect of Phosphorylation
Sandrine Sauge-Merle
,
Florian Brulfert
,
Romain Pardoux
,
Pier Lorenzo Solari
,
David Lemaire
Journal articles
hal-01794613v1
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Simulating osmotic equilibria: A new tool for calculating activity coefficients in concentrated aqueous salt solutions
Michael Bley
,
Magali Duvail
,
Philippe Guilbaud
,
Jean-François Dufrêche
Journal articles
hal-01999620v1
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Synergism in a HDEHP/TOPO Liquid−Liquid Extraction System: An Intrinsic Ligands Property?
O Pecheur
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Sandrine Dourdain
,
D. Guillaumont
,
J. Rey
,
P Guilbaud
Journal articles
cea-01294523v1
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Redox behavior of gas phase Pu(IV)-monodentate ligand complexes: an investigation by electrospray ionization mass spectrometry
J. Drader
,
N. Martin
,
N. Boubals
,
N. Zorz
,
P. Guilbaud
Journal articles
cea-02527975v1
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Thermodynamics of Calcium binding to the Calmodulin N-terminal domain to evaluate site-specific affinity constants and cooperativity
Maria Rosa Beccia
,
Sandrine Sauge-Merle
,
David Lemaire
,
Nicolas Brémond
,
Romain Pardoux
Journal articles
hal-01561163v1
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Multi-scale modelling of uranyl chloride solutions
Thanh-Nghi Nguyen
,
Magali Duvail
,
Arnaud Villard
,
John Jairo Molina
,
Philippe Guilbaud
Journal articles
hal-02000182v1
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New insights into the extraction of uranium(VI) by an N,N-dialkylamide
F. Rodrigues
,
G. Ferru
,
Laurence Berthon
,
N. Boubals
,
P. Guilbaud
Journal articles
hal-01010443v1
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Specific Interaction between Uranium Anionic Complexes and the Cations of Bis(trifluoromethylsulfonyl)imide Based Ionic Liquids
C. Cannes
,
C. Le Naour
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P. Moisy
,
P. Guilbaud
Journal articles
in2p3-00913078v1
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Complexation of Ln(III) and Am(III) with the Hydrosoluble TEDGA: Speciation and Thermodynamics Studies
M.-C. Charbonnel
,
C. Berthon
,
L. Berthon
,
N. Boubals
,
F. Burdet
Journal articles
cea-02528028v1
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Atomistic Description of Binary Lanthanoid Salt Solutions: A Coarse-Graining Approach
John Jairo Molina
,
Magali Duvail
,
Jean-François Dufrêche
,
Philippe Guilbaud
Journal articles
hal-02002579v1
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Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations
Magali Duvail
,
Philippe Guilbaud
Journal articles
cea-03326157v1
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Molecular Dynamics Studies of Concentrated Binary Solutions of Lanthanide Salts: Structural and Exchange Dynamics
Magali Duvail
,
Alexandre Ruas
,
Laurent Venault
,
Philippe Moisy
,
Philippe Guilbaud
Journal articles
cea-00870636v1
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Coarse-grained lanthanoid chloride aqueous solutions
John Jairo Molina
,
Magali Duvail
,
Philippe Guilbaud
,
Jean-François Dufrêche
Journal articles
hal-02002610v1
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Solvation of UCl62- anionic complex by MeBu3N+, BuMe2IM+, and BuMeIm(+) cations
E. Boss
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C. den Auwer
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C. Berthon
,
P. Guilbaud
,
M. S. Grigoriev
Journal articles
in2p3-00421531v1
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Experimental and Molecular Dynamics Studies of Dysprosium(III) Chloride Ionic Solutions for a Better Representation of the Microscopic Features Used within the Binding Mean Spherical Approximation.
Alexandre Ruas
,
Philippe Guilbaud
,
Christophe den Auwer
,
Christophe Moulin
,
Jean-Pierre Simonin
Journal articles
hal-00162065v1
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Actinide speciation in relation to biological processes
Éric Ansoborlo
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Odette Prat
,
Philippe Moisy
,
Christophe den Auwer
,
Philippe Guilbaud
Journal articles
hal-01930725v1
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Investigating actinide molecular adducts from absorption edge spectroscopy
C. den Auwer
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S.D. Conradson
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P. Guilbaud
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P. Moisy
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J. Mustre de Leon
Journal articles
in2p3-00273176v1
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Molecular dynamics simulations for the complexation of Ln3+ and UO2 2+ ions with tridentate ligand diglycolamide (DGA).
M. Hirata
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P. Guilbaud
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M. Dobler
,
S. Tachimori
Journal articles
cea-02359274v1
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Dimerization of xanthene dyes in water: Experimental studies and molecular dynamic simulations
S.D. Doyen
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D. Doizi
,
P. Guilbaud
,
F. Djedaini-Pilard
,
B. Perly
Journal articles
hal-00095428v1
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