Publications related to Sulfide-binding hemoglobins: effects of mutations on active-site flexibility

Complex Interplay and Hierarchy of Interactions in Two-Dimensional Supramolecular Assemblies

In order to address the interplay of hydrogen bonding, dipolar interactions, and metal coordination, we have investigated the two-dimensional mono- and bicomponent self-assembly of three closely related diaminotriazine-based molecular building blocks and a ...

American Chemical Society2011

Probing the Transition from Hydrophilic to Hydrophobic Solvation with Atomic Scale Resolution

Majed Chergui, Ivano Tavernelli, Paul Beaud, Thomas James Penfold, Van Thai Pham, Amal El Nahhas, Renske Marjan van der Veen, Frederico Alves Lima

Picosecond and femtosecond X-ray absorption spectroscopy is used to probe the changes of the solvent shell structure upon electron abstraction of aqueous iodide using an ultrashort laser pulse. The transient L-1,L-3 edge EXAFS at 50 ps time delay points to ...

2011

Chiral Biphenyldicarboxylic Acid Networks Stabilized by Hydrogen Bonding

The self-assembly of 4,4′-biphenyldicarboxylic acid on a Au(111) surface is investigated by means of in situ ultra-high-vacuum scanning tunneling microscopy. Three types of open networks with increasing interpore distance are observed. Experiments and theo ...

American Chemical Society2010

Local Effects in the X-ray Absorption Spectrum of Salt Water

Nicola Marzari, Giulia Galli Gygi

Both first-principles molecular dynamics and theoretical X-ray absorption spectroscopy have been used to investigate the aqueous solvation of cations in 0.5 M MgCl(2), CaCl(2), and NaCl solutions. We focus here on the species-specific effects that Mg(2+), ...

2010

Structure, Dynamics and Thermodynamics of the Human Centrin 2/hSfi1 Complex

Geoffrey Bodenhausen, Daniel Abergel

Centrin, an EF-hand calcium-binding protein, has been shown to be involved in the duplication of centrosomes, and Sfi1 (Suppressor of fermentation-induced loss of stress resistance protein 1) is one of its centrosomal targets. There are three isoforms of h ...

Elsevier2010

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Pierre Vogel, Dean Markovic

The potential energy surfaces of the desulfinylation of prop-2-enesulfinic acid (13) in CH2Cl2 solution at -15 degrees C have been explored by quantum calculations and analyzed with kinetic data obtained for the reaction in absence or presence of additives ...

2009

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Albert Renken, Lioubov Kiwi, Martin Grasemann

Systematic studies of mass transfer interactions with intrinsic reaction kinetics were performed for the threephase selective hydrogenation of 2-methyl-3-butyn-2-ol (MBY) to 2-methyl-3-buten-2-ol (MBE) over a modified Pd/CaC

{O}_{3}

catalyst under solvent ...

2008

Comment on « Angular distributions of H-induced HD and D2 desorptions from the Si(100) surfaces » [J. Chem. Phys. 124, 054715 (2006)]

Régis Bisson

In their article, Inanaga et al. have presented an angular distribution for the desorption of hydrogen molecules induced by hydrogen atoms impinging on a hydrogenated Si(100) surface and compared the measurement with classical trajectory calculations based ...

2008

Hydrogen bonding and coordination in normal and supercritical water from x-ray inelastic scattering

Nicola Marzari

A direct measure of hydrogen bonding in water under conditions ranging from the normal state to the supercritical regime is derived from first-principles calculations for the Compton scattering of inelastically scattered x rays. First, we show that a measu ...

2007

Low-dimensional supramolecular architectures at metal surfaces

Sebastian Stepanow

This thesis is concerned with supramolecular architectures assembled at metal surfaces. The investigations pursued two objectives. On the one hand, the focus was placed on the fabrication of low-dimensional surface-supported network structures by applying ...

EPFL2005

Sulfide-binding hemoglobins: effects of mutations on active-site flexibility

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Complex Interplay and Hierarchy of Interactions in Two-Dimensional Supramolecular Assemblies

Probing the Transition from Hydrophilic to Hydrophobic Solvation with Atomic Scale Resolution

Chiral Biphenyldicarboxylic Acid Networks Stabilized by Hydrogen Bonding

Local Effects in the X-ray Absorption Spectrum of Salt Water

Structure, Dynamics and Thermodynamics of the Human Centrin 2/hSfi1 Complex

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Comment on « Angular distributions of H-induced HD and D2 desorptions from the Si(100) surfaces » [J. Chem. Phys. 124, 054715 (2006)]

Hydrogen bonding and coordination in normal and supercritical water from x-ray inelastic scattering

Low-dimensional supramolecular architectures at metal surfaces

Chiral Biphenyldicarboxylic Acid Networks Stabilized by Hydrogen Bonding

Probing the Transition from Hydrophilic to Hydrophobic Solvation with Atomic Scale Resolution

Complex Interplay and Hierarchy of Interactions in Two-Dimensional Supramolecular Assemblies

Comment on « Angular distributions of H-induced HD and D2 desorptions from the Si(100) surfaces » [J. Chem. Phys. 124, 054715 (2006)]

Low-dimensional supramolecular architectures at metal surfaces

Structure, Dynamics and Thermodynamics of the Human Centrin 2/hSfi1 Complex

Three-Phase Catalytic Hydrogenation of a Functionalized Alkyne: Mass Transfer and Kinetic Studies with in Situ Hydrogen Monitoring

Local Effects in the X-ray Absorption Spectrum of Salt Water

Desulfinylation of Prop-2-enesulfinic Acid: Experimental Results and Mechanistic Theoretical Analysis

Hydrogen bonding and coordination in normal and supercritical water from x-ray inelastic scattering