Publications associées à Eau de cristallisation

Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations

Ursula Röthlisberger, Ivano Tavernelli, Marilisa Neri, Stefano Vanni

Understanding the binding mode of agonists to adrenergic receptors is crucial to enabling improved rational design of new therapeutic agents. However, so far the high conformational flexibility of G protein-coupled receptors has been an obstacle to obtaini ...

Public Library of Science2011

Synthesis, complexation and NMR relaxation properties of Gd3+ complexes of Mes(DO3A)3

Lothar Helm, Pascal Miéville, Hugues Jaccard

Medium sized molecules endowed with multiple Gd3+ complexes are efficient high magnetic field MRI contrast agents. The novel ligand Mes(DO3A)3, presenting three DO3A (1,4,7,10-tetraazacyclododecane-N,N′,N′′-triacetatic acid) units grafted on the methyl pos ...

Royal Society of Chemistry2011

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Jean-Claude Bünzli, Svetlana Eliseeva

Lanthanide hexafluoroacetylacetonate ternary complexes with 2,2'-bipyridine-N,N'-dioxide, [Ln(hfa)(3)(bpyO2)], were synthesized for Ln = Eu, Gd, Tb, and Lu and fully characterized by elemental, thermal, and mass-spectrometric analyses. The X-ray crystal st ...

2011

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Jean-Claude Bünzli, Svetlana Eliseeva

Lanthanide hexafluoroacetylacetonate ternary complexes with 2,2'-bipyridine-N,N'-dioxide, [Ln(hfa)3(bpyO2)], were synthesized for Ln = Eu, Gd, Tb, and Lu and fully characterized by elemental, thermal, and mass-spectrometric analyses. The X-ray crystal stru ...

2011

Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate

François Robert, Christine Neuhausen

Solvothermal and classical synthesis with an identical recipe involving 4H-1,2,4-triazol-4-yl acetic acid (HL1) and CdCl2 afforded two-dimensional (2D) (1)l and one-dimensional (2) coordination polymers, respectively. Hexagonal plate-like crystals of [Cd-2 ...

2011

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

Sylvie Roke, Hilton Barbosa De Aguiar

We established the charge and structure of the oil/water interface by combining zeta-potential measurements, sum frequency scattering (SFS) and molecular dynamics simulations. The SFS experiments show that the orientation of water molecules can be followed ...

2011

The orientation and charge of water at the hydrophobic oil droplet-water interface

Sylvie Roke, Hilton Barbosa De Aguiar

2011

The orientation and charge of water at the hydrophobic oil droplet - Water interface

Sylvie Roke, Hilton Barbosa De Aguiar

We established the charge and structure of the oil/water interface by combining ?-potential measurements, sum frequency scattering (SFS) and molecular dynamics simulations. The SFS experiments show that the orientation of water molecules can be followed on ...

2011

Optically- and thermally-responsive programmable materials based on carbon nanotube-hydrogel polymer composites

Bryan Edward Schubert

A simple approach is described to fabricate reversible, thermally- and optically responsive actuators utilizing composites of poly(N-isopropylacrylamide) (pNIPAM) loaded with single-walled carbon nanotubes. With nanotube loading at concentrations of 0.75 m ...

American Chemical Society2011

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Eau de cristallisation

Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations

Synthesis, complexation and NMR relaxation properties of Gd3+ complexes of Mes(DO3A)3

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

The orientation and charge of water at the hydrophobic oil droplet-water interface

The orientation and charge of water at the hydrophobic oil droplet - Water interface

DNA Reactivity Profile of trans-Platinum Planar Amine Derivatives

Optically- and thermally-responsive programmable materials based on carbon nanotube-hydrogel polymer composites

Graph Chatbot

Chattez avec Graph Search

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations

Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Synthesis, complexation and NMR relaxation properties of Gd3+ complexes of Mes(DO3A)3

The orientation and charge of water at the hydrophobic oil droplet-water interface

DNA Reactivity Profile of trans-Platinum Planar Amine Derivatives

Optically- and thermally-responsive programmable materials based on carbon nanotube-hydrogel polymer composites

The Orientation and Charge of Water at the Hydrophobic Oil Droplet-Water Interface

The orientation and charge of water at the hydrophobic oil droplet - Water interface