Publications associées à Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding

In-liquid MEMS assembly by optical trapping

Jürgen Brugger, Rosario Maurizio Gullo, Loïc Jacot-Descombes

This paper presents a novel in-liquid method to manipulate and micro-assemble MEMS in 3D by means of holographic optical trapping and hydrophobic interaction. Up to eight traps can be simultaneously generated with a trapping stiffness of 5 pN/mu m each. SU ...

IEEE2013

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Thomas Rizzo, Natalia Nagornova

Studying solvation of a large molecule on an atomic level is challenging because of the transient character and inhomogeneity of hydrogen bonding in liquid water. We studied water clusters of a protonated macrocyclic decapeptide, gramicidin S, which were p ...

2012

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

Harald Brune, Marta Canas Ventura

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

Graph Theory Meets Ab Initio Molecular Dynamics: Atomic Structures and Transformations at the Nanoscale

Wanda Andreoni, Fabio Pietrucci

Social permutation invariant coordinates are introduced describing the bond network around a given atom. They originate from the largest eigenvalue and the corresponding eigenvector of the contact matrix, are invariant under permutation of identical atoms, ...

2011

Highly selective rhodium catalyzed domino C-H activation/cyclizations

Nicolai Cramer, Duc Tran Ngoc

The direct functionalization of carbon-hydrogen bonds is an emerging tool to establish more sustainable and efficient synthetic methods. We present its implementation in a cascade reaction that provides a rapid assembly of functionalized indanylamines from ...

Swiss Chemical Society2011

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

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

Proton dynamics in superprotonic CsHSO(4)

Nicola Marzari

We present a detailed study of proton dynamics in the hydrogen-bonded superprotonic conductor CsHSO(4) from first-principles molecular dynamics simulations, isolating the subtle interplay between the dynamics of the O-H chemical bonds, the O center dot cen ...

2007

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

Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding

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In-liquid MEMS assembly by optical trapping

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

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

Graph Theory Meets Ab Initio Molecular Dynamics: Atomic Structures and Transformations at the Nanoscale

Highly selective rhodium catalyzed domino C-H activation/cyclizations

Chiral Biphenyldicarboxylic Acid Networks Stabilized by Hydrogen Bonding

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

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

Proton dynamics in superprotonic CsHSO(4)

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

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

In-liquid MEMS assembly by optical trapping

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Graph Theory Meets Ab Initio Molecular Dynamics: Atomic Structures and Transformations at the Nanoscale

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

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

Proton dynamics in superprotonic CsHSO(4)

Chiral Biphenyldicarboxylic Acid Networks Stabilized by Hydrogen Bonding

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

Highly selective rhodium catalyzed domino C-H activation/cyclizations