Publications associées à Insights into excited-state and isomerization dynamics of bacteriorhodopsin from ultrafast transient UV absorption

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...

Amer Chemical Soc2024

Incomplete Recovery of Zebrafish Retina Following Cryoinjury

Dylan Lawless

Zebrafish show an extraordinary potential for regeneration in several organs from fins to central nervous system. Most impressively, the outcome of an injury results in a near perfect regeneration and a full functional recovery. Indeed, among the various i ...

MDPI2022

The Appearance of the Warburg Effect in the Developing Avian Eye Characterized In Ovo: How Neurogenesis Can Remodel Neuroenergetics

Rolf Gruetter, Carole Poitry-Yamate, Laurent Brodier, Antoine Timothée Cherix

PURPOSE. The avian eye is an established model for exploring mechanisms that coordinate morphogenesis and metabolism during embryonic development. Less is known, however, about trafficking of bioenergetic and metabolic signaling molecules that are involved ...

2020

Ultrafast X-ray Spectroscopy of Heme Proteins

Dominik Kinschel

With the advent of X-ray free-electron lasers (XFELs) time-resolved X-ray spectroscopic techniques have advanced to the femtosecond regime. These are element selective techniques which offer unique insight into the electronic and chemical environment and d ...

EPFL2020

Automated Multiscale Approach To Predict Self-Diffusion from a Potential Energy Field

Berend Smit, Senja Dominique Barthel, Amber Kashan Mace

For large-scale screening studies there is a need to estimate the diffusion of gas molecules in nanoporous materials more efficiently than (brute force) molecular dynamics. In particular for systems with low diffusion coefficients molecular dynamics can be ...

2019

Capacitive-like photovoltaic epiretinal stimulation enhances and narrows the network-mediated activity of retinal ganglion cells by recruiting the lateral inhibitory network

Naïg Aurelia Ludmilla Chenais, Marta Jole Ildelfonsa Airaghi Leccardi, Diego Ghezzi

Photovoltaic retinal prostheses theoretically offer the possibility of a standalone high-resolution electrical stimulation of the retina. However, achieving focused epiretinal stimulation is particularly challenging, because of axonal activation and electr ...

2019

Synthetic spectra of BeH, BeD and BeT for emission modeling in JET plasmas

Patrick Blanchard, Basil Duval, Ambrogio Fasoli, Yves Martin, Richard Pitts, Olivier Sauter, Henri Weisen, Robin Humphry-Baker, Stefano Coda, Martinus Gijs, Partha Dutta, Marco Wischmeier, Jan Horacek, Vlad Trifa, Yann Camenen, Jonathan Graves, Duccio Testa, Miguel Fernández Ruiz, Sun Hee Kim, Mikhail Maslov, Javier García Hernández, David Pfefferlé, José Pedro Rebelo Ferreira Marques, Julio Rodriguez, Pedro Camilo de Oliveira e Silva, Rebecca Hill, Daniel Scott Alessi, Jonnathan Cesar Hidalgo Acosta, Ana Francisca Leal Silva Soares, Dalziel Joseph Wilson, Pierre-Thomas Paul Brun, Jonathan Marc Philippe Faustin, Federico Nespoli, Alberto Hernando de Castro, Hamish William Patten, Bruno Emanuel Ferreira De Sousa Correia, Li Shuai, Nicola Vianello, Antonio José Pereira de Figueiredo, , , , , , , , ,

Lipid membrane characterization with second harmonic scattering : surface potentials, ionization, membrane asymmetry and hydration

Cornelis Ulrich Lütgebaucks

Membranes, composed of a variety of lipids and other biomolecules, mediate signaling processes between cells and their aqueous environment. To fulfill this function, membranes can vary their composition leaflet-specific and thus alter their surface propert ...

EPFL2017

Intrinsic Disorder in Transmembrane Proteins: Roles in Signaling and Topology Prediction

Jérôme Bürgi, Françoise Gisou van der Goot Grunberg

Intrinsically disordered regions (IDRs) are peculiar stretches of amino acids that lack stable conformations in solution. Intrinsic Disorder containing Proteins (IDP) are defined by the presence of at least one large IDR and have been linked to multiple ce ...

Public Library of Science2016

Mechanistic study of the radical SAM-dependent amine dehydrogenation reactions

Shuguang Yuan, Yue Yin, Qixing Zhang, Xinjian Ji

The radical SAM enzyme NosL catalyzes the conversion of L-Trp to 3-methyl-2-indolic acid, and this reaction is initiated by the 5'-deoxyadenosyl (dAdo) radical-mediated hydrogen abstraction from the L-Trp amino group. We demonstrate here that when D-Trp wa ...

Royal Society of Chemistry2016

Ultrafast Relaxation Dynamics of the Ethylene Cation C

Ursula Röthlisberger, Lamia Kasmi, Pablo Lopez Tarifa, Elisa Liberatore

We present a combined experimental and computational study of the relaxation dynamics of the ethylene cation. In the experiment, we apply an extreme-ultraviolet-pump/infrared-probe scheme that permits us to resolve time scales on the order of 10 fs. The ph ...

2016

The Crystal Structures of Apo and cAMP-Bound GlxR from Corynebacterium glutamicum Reveal Structural and Dynamic Changes upon cAMP Binding in CRP/FNR Family Transcription Factors

Stewart Cole, Florence Pojer

The cyclic AMP-dependent transcriptional regulator GlxR from Corynebacterium glutamicum is a member of the super-family of CRP/FNR (cyclic AMP receptor protein/fumarate and nitrate reduction regulator) transcriptional regulators that play central roles in ...

Public Library of Science2014

Retinal and post-retinal contributions to the quantum efficiency of the human eye revealed by electrical neuroimaging

Nicolas Gisin, Enrico Pomarico

The retina is one of the best known quantum detectors with rods able to reliably respond to single photons. However, estimates on the number of photons eliciting conscious perception, based on signal detection theory, are systematically above these values ...

Frontiers Media2013

Precise toxigenic ablation of intermediate cells abolishes the "battery" of the cochlear duct

Friedrich Beermann

The extracellular potential of excitable and nonexcitable cells with respect to ground is ∼0 mV. One of the known exceptions in mammals is the cochlear duct, where the potential is ∼80-100 mV, called the endocochlear potential (EP). The EP serves as the "b ...

Society for Neuroscience2013

Early apoptosis of rod photoreceptors in Rpe65(-/-) mice is associated with the upregulated expression of lysosomal-mediated autophagic genes

RPE65-related Leber's congenital amaurosis (LCA) is a rod-cone dystrophy whose clinical outcome is mainly attributed to the loss of rod photoreceptors followed by cone degeneration. Pathogenesis in Rpe65-/- mice is characterized by a slow and progressive d ...

2012

Analysis of Factors Affecting the Performance of Retinal Prostheses Using Finite Element Modelling of Electric Field Distribution in the Retina

Sri Harsha Kasi Raj

This dissertation proposes a computational framework targeted at improving the design of currently employed retinal prostheses. The framework was used for analysing factors impacting the performance of prostheses in terms of electrical stimulation for reti ...

EPFL2011

Two-dimensional Vlasov simulation of electron plasma wave trapping, wavefront bowing, self-focusing, and sideloss

Stephan Brunner

Two-dimensional Vlasov simulations of nonlinear electron plasma waves are presented, in which the interplay of linear and nonlinear kinetic effects is evident. The plasma wave is created with an external traveling wave potential with a transverse envelope ...

American Institute of Physics (AIP)2011

Exploring G-Protein Coupled Receptor Activation with Multiscale Molecular Simulations

Stefano Vanni

This thesis is devoted to the study of the activation mechanism of G-protein coupled receptors (GPCRs), one of the largest and most diverse protein families in mammalian genomes, by means of different computer-based simulation techniques. Using force field ...

EPFL2011

Ultrafast X-ray and Optical Spectroscopy of Binuclear Molecular Complexes

Renske Marjan van der Veen

In this thesis we followed the synergetic approach of combining ultrafast optical and X-ray spectroscopies to unravel the electronic and geometric structural dynamics of the solvated binuclear transition metal complex [Pt2(P2O5H2)4] 4- (PtPOP). This molecu ...

EPFL2010

Photophysics and Photochemistry from First Principles : Applications to Problems in Materials Science and Biology

Matteo Guglielmi

Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...

EPFL2010