Topology and Group Theory-Tools for Determinating the Stereochemistry of Molecules

Modern Chemistry requires to handle complex stereochemical problems with a computer. Therefore, it is necessary to find a suitable way of modelling ensembles of molecules and their reactions. This kind of modelling must also consider dynamic structural properties of molecules. This cannot be described sufficiently by rigid models. Developing concepts and computer programs for describing stereochemical and constitutional regards simultanously requires an exact chemical nomenclature. Thus, a nomenclature must be found which is easily applicable and produces onlyasmall amount of data. Especially concerning stereochemistry this nomenclature must be applicable to atoms of any validity. No rules for special cases should be defined. For a definite description of ensembles of molecules our algorithms profit by topological and graph theoretical methods. Based on uncoloured molecular graphs, first the chemical nature of the vertices and finally by group theoretical aspects stereochemistry is introduced. This hierachical ordering allows to compare structural properties of chemical different molecules. Thus, for example reaction patterns of molecules can be transferred between chemical different but structural identical ensembles

The West Nile virus assembly process evades the conserved antiviral mechanism of the interferon-induced MxA protein

Flaviviruses have evolved means to evade host innate immune responses. Recent evidence suggests this is due to prevention of interferon production and signaling in flavivirus-infected cells. Here we show that the interferon-induced MxA protein can sequester the West Nile virus strain Kunjin virus (WNVKUN) capsid protein in cytoplasmic tubular structures in an expression-replication system. This sequestering resulted in reduced titers of secreted WNVKUN particles. We show by electron microscopy, tomography and 3D modeling that these cytoplasmic tubular structures form organized bundles. Additionally we show that recombinant ER-targeted MxA can restrict production of infectious WNVKUN under conditions of virus infection. Our results indicate a co-ordinated and compartmentalized WNVKUN assembly process may prevent recognition of viral components by MxA, particularly the capsid protein. This recognition can be exploited if MxA is targeted to intracellular sites of WNVKUN assembly. This results in further understanding of the mechanisms of flavivirus evasion from the immune system

Effects of spatial and cognitive enrichment on activity pattern and learning performance in three strains of mice in the IntelliMaze

The IntelliMaze allows automated behavioral analysis of group housed laboratory mice while individually assigned protocols can be applied concomitantly for different operant conditioning components. Here we evaluate the effect of additional component availability (enrichment) on behavioral and cognitive performance of mice in the IntelliCage, by focusing on aspects that had previously been found to consistently differ between three strains, in four European laboratories. Enrichment decreased the activity level in the IntelliCages and enhanced spatial learning performance. However, it did not alter strain differences, except for activity during the initial experimental phase. Our results from non-enriched IntelliCages proved consistent between laboratories, but overall laboratory-consistency for data collected using different IntelliCage set-ups, did not hold for activity levels during the initial adaptation phase. Our results suggest that the multiple conditioning in spatially and cognitively enriched environments are feasible without affecting external validity for a specific task, provided animals have adapted to such an IntelliMaze

Analysis of Outcomes in Ischemic vs Nonischemic Cardiomyopathy in Patients With Atrial Fibrillation A Report From the GARFIELD-AF Registry

IMPORTANCE Congestive heart failure (CHF) is commonly associated with nonvalvular atrial fibrillation (AF), and their combination may affect treatment strategies and outcomes

Precision measurement of the structure of the CMS inner tracking system using nuclear interactions

The structure of the CMS inner tracking system has been studied using nuclear interactions of hadrons striking its material. Data from proton-proton collisions at a center-of-mass energy of 13 TeV recorded in 2015 at the LHC are used to reconstruct millions of secondary vertices from these nuclear interactions. Precise positions of the beam pipe and the inner tracking system elements, such as the pixel detector support tube, and barrel pixel detector inner shield and support rails, are determined using these vertices. These measurements are important for detector simulations, detector upgrades, and to identify any changes in the positions of inactive elements