Publications associées à Électrostatique

Mechanism of Shiga Toxin Clustering on Membranes

The bacterial Shiga toxin interacts with its cellular receptor, the glycosphingolipid globotriaosylceramide (Gb3 or CD77), as a first step to entering target cells. Previous studies have shown that toxin molecules cluster on the plasma membrane, despite th ...

American Chemical Society2017

Partial Molar Volumes of Aqua Ions from First Principles

Alfredo Pasquarello, Julia Anna Wiktor

Partial molar volumes of ions in water solution are calculated through pressures obtained from ab initio molecular dynamics simulations. The correct definition of pressure in charged systems subject to periodic boundary conditions requires access to the va ...

Amer Chemical Soc2017

A Switched Oscillator Geometry Inspired by a Curvilinear Space-Part I: DC Considerations

We present a new technique for the design and test of coaxial switched oscillators (SWOs). In this paper (Part I of a two-part paper), we concentrate on the electrostatic design of coaxial SWOs. We introduce a new design for the electrodes, which have been ...

Institute of Electrical and Electronics Engineers2016

Second Harmonic and Sum-Frequency Generation from Aqueous Interfaces Is Modulated by Interference

Sylvie Roke

The interfacial region of aqueous systems also known as the electrical double layer can be characterized on the molecular level with second harmonic and sum-frequency generation (SHG/SFG). SHG and SFG are surface specific methods for isotropic liquids. Her ...

American Chemical Society2016

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Nicola Marzari, Oliviero Andreussi

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-tri ...

Amer Inst Physics2016

Simulation and Theory of Antibody Binding to Crowded Antigen-Covered Surfaces

Paolo De Los Rios, Giuseppe Foffi, Francesco Piazza

In this paper we introduce a fully flexible coarse-grained model of immunoglobulin G (IgG) antibodies parametrized directly on cryo-EM data and simulate the binding dynamics of many IgGs to antigens adsorbed on a surface at increasing densities. Moreover, ...

Public Library Science2016

Evaluation of thermal scanning probe lithography patterns

Vincent Philippe Paratte, Pau Mato Sabat

Thermal scanning probe lithography is a novel lithographic method that allows to create three dimension pattern with high precision at the micro and nano scale. In this project, the impact of two important parameters (the distance be- tween the tip and the ...

2016

Sputtered Cu-polyethylene films inducing bacteria inactivation in the dark and under low intensity sunlight

César Pulgarin, Juan Kiwi, Sami Rtimi, Oualid Baghriche, Laura Victoria Suárez Murillo

This study addresses the preparation of uniform, adhesive and robust thin Cu-polyethylene films (PE-CuOx) by direct current magnetron sputtering (DCMS). Cu-coatings of 25 nm sputtered with 60W deposited 0.16% weight Cu/weight PE leading to the fastest bact ...

Elsevier Science Sa2016

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Électrostatique

Mechanism of Shiga Toxin Clustering on Membranes

Partial Molar Volumes of Aqua Ions from First Principles

A new constituent of electrostatic energy in semiconductors

A Switched Oscillator Geometry Inspired by a Curvilinear Space-Part I: DC Considerations

Second Harmonic and Sum-Frequency Generation from Aqueous Interfaces Is Modulated by Interference

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Implications of Charge Penetration for the Heteroatom-Containing Organic Semiconductors

Simulation and Theory of Antibody Binding to Crowded Antigen-Covered Surfaces

Evaluation of thermal scanning probe lithography patterns

Sputtered Cu-polyethylene films inducing bacteria inactivation in the dark and under low intensity sunlight

Graph Chatbot

Chattez avec Graph Search

Implications of Charge Penetration for the Heteroatom-Containing Organic Semiconductors

Mechanism of Shiga Toxin Clustering on Membranes

Partial Molar Volumes of Aqua Ions from First Principles

A Switched Oscillator Geometry Inspired by a Curvilinear Space-Part I: DC Considerations

Simulation and Theory of Antibody Binding to Crowded Antigen-Covered Surfaces

Evaluation of thermal scanning probe lithography patterns

A new constituent of electrostatic energy in semiconductors

Second Harmonic and Sum-Frequency Generation from Aqueous Interfaces Is Modulated by Interference

A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

Sputtered Cu-polyethylene films inducing bacteria inactivation in the dark and under low intensity sunlight