Phase segregation on electroactive self-assembled monolayers: a numerical approach for describing lateral interactions between redox centers

A numerical method is proposed in order to differentiate a random distribution from a phase segregation of redox centers on (mixed) SAMs. This approach is compared to Laviron’s interactions model and voltammetric data of nitroxylalkanethiolate SAMs

Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis

Aim: Molecular dynamics simulations and normal mode analysis are well-established approaches to generate receptor conformational ensembles (RCEs) for ligand docking and virtual screening. Here, we report new fast molecular dynamics-based and normal mode analysis-based protocols combined with conformational pocket classifications to efficiently generate RCEs. Materials \& methods: We assessed our protocols on two well-characterized protein targets showing local active site flexibility, dihydrofolate reductase and large collective movements, CDK2. The performance of the RCEs was validated by distinguishing known ligands of dihydrofolate reductase and CDK2 among a dataset of diverse chemical decoys. Results \& discussion: Our results show that different simulation protocols can be efficient for generation of RCEs depending on different kind of protein flexibility

Cognitive Effects of Vitamin D Supplementation in Older Outpatients Visiting a Memory Clinic: A Pre–Post Study

International audienc

Impact of the Nanoscale Organization of Nitroxyl Mixed Self-Assembled Monolayers on their Electrocatalytic Behaviour

Electrocatalysis: The molecular distribution of redox centers on mixed nitroxyl SAMs strongly influences the electrocatalytic reactivity

Microglia mechanics : immune activation alters traction forces and durotaxis

This work was supported by the Austrian Agency for International Cooperation in Education and Research (Scholarship to LB), Faculty of Computer Science and Biomedical Engineering at Graz University of Technology (Scholarship to LB), German National Academic Foundation (Scholarship to DK), Wellcome Trust/University of Cambridge Institutional Strategic Support Fund (Research Grant to KF), Isaac Newton Trust (Research Grant 14.07 (m) to KF), Leverhulme Trust (Research Project Grant RPG-2014-217 to KF), UK Medical Research Council (Career Development Award to KF), and the Human Frontier Science Program (Young Investigator Grant RGY0074/2013 to GS, MG, and KF). Date of Acceptance: 31/08/2015Microglial cells are key players in the primary immune response of the central nervous system. They are highly active and motile cells that chemically and mechanically interact with their environment. While the impact of chemical signaling on microglia function has been studied in much detail, the current understanding of mechanical signaling is very limited. When cultured on compliant substrates, primary microglial cells adapted their spread area, morphology, and actin cytoskeleton to the stiffness of their environment. Traction force microscopy revealed that forces exerted by microglia increase with substrate stiffness until reaching a plateau at a shear modulus of ~5 kPa. When cultured on substrates incorporating stiffness gradients, microglia preferentially migrated toward stiffer regions, a process termed durotaxis. Lipopolysaccharide-induced immune-activation of microglia led to changes in traction forces, increased migration velocities and an amplification of durotaxis. We finally developed a mathematical model connecting traction forces with the durotactic behavior of migrating microglial cells. Our results demonstrate that microglia are susceptible to mechanical signals, which could be important during central nervous system development and pathologies. Stiffness gradients in tissue surrounding neural implants such as electrodes, for example, could mechanically attract microglial cells, thus facilitating foreign body reactions detrimental to electrode functioning.Publisher PDFPeer reviewe

Induction in a von Karman flow driven by ferromagnetic impellers

We study magnetohydrodynamics in a von K\'arm\'an flow driven by the rotation of impellers made of material with varying electrical conductivity and magnetic permeability. Gallium is the working fluid and magnetic Reynolds numbers of order unity are achieved. We find that specific induction effects arise when the impeller's electric and magnetic characteristics differ from that of the fluid. Implications in regards to the VKS dynamo are discussed.Comment: 14 pages, 7 figure

Real-time absorption spectroelectrochemistry: From solution to monolayer

High-sensitivity charge coupled-device (CCD) cameras, efficient fibre optic bundles, high stable light source and 3D printing technologies now open large possibilities to probe redox species in solution and on confined surface by real-time absorption spectroelectrochemistry. This short review aims at providing an overview of the first work of absorption spectroelectrochemistry on redox-responsive self-assembled monolayers (SAMs). Some practical aspects are emphasized to not underestimate the difficulties involved in set-up such instrumentation

Evidence of electrochemical transduction of cation recognition by TEMPO derivatives

This work reports the first example of electrochemical cation binding transduction via nitroxyl groups. It shows the possibility to transduce a complexation without a pi-conjugated bridge between the redox and the host moieties. As expected, we confirm that the host/redox probe distance is a key point for transduction