2,073 research outputs found
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
La situation dans les pays du Sud : synthèse et ensemble des contributions de chercheurs des institutions de recherches partenaires
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
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