Publications associées à A Neutral Zwitterionic Molecular Solid

Publications associées (25)

Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects

Sylvie Roke, David Mark Wilkins, Mischa Samuel Flór

The molecular structure of water is dynamic, with intermolecular hydrogen (H) bond interactions being modified by both electronic charge transfer and nuclear quantum effects (NQEs). Electronic charge transfer and NQEs potentially change under acidic or bas ...

American Association for the Advancement of Science2024

SLC25A46 promotes mitochondrial fission and mediates resistance to lipotoxic stress in INS-1E insulin-secreting cells

Loïc Dayon, Andreas Wiederkehr

Glucose sensing in pancreatic D-cells depends on oxidative phosphorylation and mitochondria-derived signals that promote insulin secretion. Using mass spectrometry-based phosphoproteo-mics to search for downstream effectors of glucose-dependent signal tran ...

COMPANY BIOLOGISTS LTD2023

Combining ultra-high resolution ion-mobility spectrometry with cryogenic IR spectroscopy for the study of biomolecular ions

Thomas Rizzo, Ahmed Ben Faleh, Stephan Warnke, Robert Paul Pellegrinelli, Natalia Yalovenko

Double-resonance spectroscopic schemes in combination with cryogenic ion traps are the go-to techniques when isomer-specific high-resolution spectra are required for analysis of molecular ions. Their limitation lies in the requirement for well-resolved, is ...

2019

Control of excited state charge transfer dynamics of DMABN in deep eutectic solvent: Involvement of the partially twisted intermediate state

Ursula Röthlisberger, Swarnendu Bhattacharyya

The photo-driven charge transfer process of 4-(dimethylamino) benzonitrile (DMABN) in deep eutectic solvent (DES) is investigated through steady state and time resolved spectroscopy along with non -adiabatic molecular dynamic simulations. Simultaneous coex ...

ELSEVIER2023

Atomistic simulation of bio-relevant ionic and organic species interacting with rutile - Towards the understanding of apatite formation

Azade Yazdan Yar

Atomistic simulation methods, namely molecular dynamics and well-tempered metadynamics, are used in this thesis to investigate apatite formation from different aspects. First, ions which are more abundant in SBFs under physiological conditions were identif ...

EPFL2018

CosmoLattice: A modern code for lattice simulations of scalar and gauge field dynamics in an expanding universe

Daniel Garcia Figueroa, Adrien Florio, Wessel Valkenburg

This paper describes CosmoGattice, a modern package for lattice simulations of the dynamics of interacting scalar and gauge fields in an expanding universe. CosmoGattice incorporates a series of features that makes it very versatile and powerful: i) it is ...

ELSEVIER2023

Lattice Energy as Emerging General Parameter Describing Ionic Organic Semiconducting Materials Properties

Donatas Gesevicius

Cyanine dyes represent a class of ionic functional materials used by a broad heterogeneous science community contain-ing biologists, chemists, physicists and materials scientists. Their diverse application opportunities are ranging from fluorescence marker ...

EPFL2018

On-Surface Assembly and Reactions of Organic Molecules in Ultra-High Vacuum

Claudius Morchutt

This thesis comprises the study of two types of 2D materials, those stabilized by non-covalent and those by covalent interactions. They are synthesized and studied on well-defined metallic surfaces in ultra-high vacuum (UHV). The self-assembly of terephtha ...

EPFL2016

Role of the cystathionine beta-synthase / H2S pathway in the development of cellular metabolic dysfunction and pseudohypoxia in down syndrome

Theodora Panagaki

Background: Overexpression of the transsulfuration enzyme cystathionine-beta-synthase (CBS), and overproduction of its product, hydrogen sulfide (H2S) are recognized as potential pathogenetic factors in Down syndrome (DS). The purpose of the study was to d ...

ELSEVIER2022

Full-field drift Hamiltonian particle orbits in 3D geometry

Jonathan Graves, Wilfred Anthony Cooper, Stephan Brunner

A Hamiltonian/Lagrangian theory to describe guiding centre orbit drift motion which is canonical in the Boozer coordinate frame has been extended to include full electromagnetic perturbed fields in anisotropic pressure 3D equilibria with nested magnetic fl ...

IOP2011

Grassmannian diffusion maps based surrogate modeling via geometric harmonics

Ketson Roberto Maximiano Dos Santos

A novel surrogate model based on the Grassmannian diffusion maps (GDMaps) and utilizing geometric harmonics (GH) is developed for predicting the response of complex physical phenomena. The method utilizes GDMaps to obtain a low-dimensional representation o ...

Wiley2022

Hydration dynamics and IR spectroscopy of 4-fluorophenol

Ursula Röthlisberger, Polydefkis Diamantis

Halogenated groups are relevant in pharmaceutical applications and potentially useful spectroscopic probes for infrared spectroscopy. In this work, the structural dynamics and infrared spectroscopy of para-fluorophenol (F-PhOH) and phenol (PhOH) is investi ...

ROYAL SOC CHEMISTRY2022

Conformation of Polyalanine and Polyglycine Dications in the Gas Phase: Insight from Ion Mobility Spectrometry and Replica-Exchange Molecular Dynamics

Yury Tsybin, Aleksey Vorobyev

The conformation of model Arg(Ala)(4)X(Ala)(4)Lys+2H and Arg(Gly)(4)X(Gly)(4)Lys+2H peptides has been systematically investigated as a function of the central amino acid X through a combined experimental and theoretical approach. Mass spectrome ...

American Chemical Society2010

Approches numériques du transport de charges dans les semiconducteurs organiques

Hocine Houili

Using plastics or dyes like molecular semiconductors to make optoelectronic devices at low cost is a project in industry that is of great interest to the "Information Community" of this beginning of the 21st century. Some applications of this technology ha ...

EPFL2006

Infrared photofragment spectroscopy of charged amino acid water clusters in the gas phase

Anthi Kamariotou

We present in this work a new technique, which combines laser photofragmentation spectroscopy with tandem mass spectrometry, for structural investigations of biomolecular ions in the gas phase. A novel apparatus was designed and built for the implementatio ...

EPFL2006

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

Ultrafast electron localization in the EuNi2(Si0.21Ge0.79)(2) correlated metal

Giulia Fulvia Mancini, Jérémy Raymond Jean Maurice Rouxel

Ultrafast electron delocalization induced by a femtosecond laser pulse is a well-known process in which electrons are ejected from the ions within the laser pulse duration. However, very little is known about the speed of electron localization out of an el ...

AMER PHYSICAL SOC2021

Synthesis, reactivity, and environmental relevance of uranyl(V) complexes

Radmila Faizova

Knowledge of fundamental chemical properties of all environmentally relevant uranium species is essential to understand environmental uranium mobility and develop novel remediation strate-gies. A myriad of uranium(VI) and uranium(IV) compounds has been stu ...

EPFL2020

Exploiting the chirality of intermetallic PdGa

Samuel Thomas Stolz

The intermetallic compound PdGa has recently attracted considerable interest for combining high catalytic activity with high reaction selectivity in symmetric heterogeneous catalysis, in particular semi-hydrogenation of acetylene and methanol steam reformi ...

EPFL2020

In Situ Biostimulation of Cr(VI) Reduction in a Fast-Flowing Oxic Aquifer

Rizlan Bernier-Latmani, Daniel Scott Alessi

Hexavalent chromium is among the most common and hazardous inorganic contaminants in soils and groundwater. A promising in situ bioremediation approach is the delivery of electron donors to stimulate microbially mediated Cr(VI) reduction, producing relativ ...

AMER CHEMICAL SOC2020