HRTEM and Molecular Modeling of the MoS 2-Co9 S 8 Interface: Understanding the Promotion Effect in Bulk HDS Catalysts

As environmental regulations increase, more selective transition metal sulfide (TMS) catalytic materials for hydrotreating applications are needed. Highly active TMS catalysts become more and more desirable triggering new interest for unsupported Co-promoted MoS2-based systems that have high volumetric activity as reported here. Contrary to the common observation for alumina-supported MoS2-based catalysts, we found in our previous studies with dibenzothiophene (DBT) hydrodesulfurization (HDS) that the catalytic activity is directly proportional to the increase of surface area of the sulfide phases (Co9S8 and MoS2) present in Co-promoted MoS2 unsupported catalysts. This suggests that activity is directly connected with an increase of the contact surface area between the two sulfide phases. Understanding of the nature of the possible interaction between MoS2 and Co9S8 in unsupported catalytic systems is therefore critical in order to get a more generalized overview of the causes for synergy. This has been achieved herein through the detailed characterization by XRD, XPS, and HRTEM of the highly active Co9S8/MoS2 catalyst resulting in a proposed model for a Co9S8/MoS2 interface. This model was then subjected to a DFT analysis to determine a reasonable description of the surface contact region between the two bulk phases. Modelling of the interface shows the creation of open latent vacancy sites on Mo atoms interacting with Co and formation of direct Co-Mo bonds. Strong electron donation from Co to Mo also occurs through the intermediate sulfur atom bonded to both metals while an enhanced metallic character is also found. These changes in coordination and electronic properties are expected to favor a synergetic effect between Co and Mo at the proposed localized interface region between the two bulk MoS2 and Co9S8 phases.CONACYT, Mexico 207997MRTI of UTEP, Cotton Trust UTEPMicrolectronics Research Lab of UT-Austin and Departamento de Educacion y Cultura of Gobierno del Estado de ChihuahuaMicroelectronics Research Cente

Analytical ultracentrifugation and preliminary X-ray studies of the chloroplast envelope quinone oxidoreductase homologue from Arabidopsis thaliana.

International audienceQuinone oxidoreductases reduce a broad range of quinones and are widely distributed among living organisms. The chloroplast envelope quinone oxidoreductase homologue (ceQORH) from Arabidopsis thaliana binds NADPH, lacks a classical N-terminal and cleavable chloroplast transit peptide, and is transported through the chloroplast envelope membrane by an unknown alternative pathway without cleavage of its internal chloroplast targeting sequence. To unravel the fold of this targeting sequence and its substrate specificity, ceQORH from A. thaliana was overexpressed in Escherichia coli, purified and crystallized. Crystals of apo ceQORH were obtained and a complete data set was collected at 2.34 Å resolution. The crystals belonged to space group C2221, with two molecules in the asymmetric unit

Improving a BEM Yaw Model Based on NewMexico Experimental Data and Vortex/CFD Simulations

Les travaux présentés ici ont pour but d'évaluer la capacité de différents modèles à reproduire le sillage ainsi que les efforts sur les pales d'une éolienne testée en soufflerie dans le cadre du projet MexNext (IEA Wind), et améliorer un modèle BEM (Blade Element Momentum) par l'analyse des résultats. Deux solveurs développés en interne à IFPEN (AeroDeeP, CASTOR), basés sur les méthodes BEM (Blade Element Momentum) et vortex ainsi qu'un modèle CFD-AL (Computational Fluid Dynamics - Actuator Line) open-source, SOWFA, basé sur l'outil OpenFOAM ont été mis en oeuvre. Les principaux résultats sont donnés ci-après : la BEM permet d'obtenir des résultats proches des méthodes ?avancées"", même pour le cas en dérapage. Pour ce faire, un nouveau modèle a été introduit. Bien que les essais ne soient pas parfaitement reproduits, ce modèle simple améliore nettement les résultats. Dans le sillage, la méthode vortex permet d'obtenir des résultats très proches des mesures du fait de la faible diffusion du modèle

Reversible inhibition of cathepsin L-like proteases by 4-mer pseudopeptides

AbstractA library of 121 pseudopeptides was designed to develop reversible inhibitors of trypanosomal enzymes (cruzain from Trypanosoma cruzi and congopain from Trypanosoma congolense). The peptides share the framework: Cha-X1-X2-Pro (Cha=cyclohexyl-alanine, X1 and X2 were phenylalanyl analogs), based on a previous report [Lecaille, F., Authié, E., Moreau, T., Serveau, C., Gauthier, F. and Lalmanach, G. (2001) Eur. J. Biochem. 268, 2733–2741]. Five peptides containing a nitro-substituted aromatic residue (Tyr/Phe) and one a 4-chloro-phenylalanine at the X1 position, and 3-(2-naphthyl)-alanine, homocyclohexylalanine or 3-nitro-tyrosine (3-NO2-Tyr) at the X2 position, were selected. They inhibited congopain more effectively than cruzain, except Cha-4-NO2-Phe-3-NO2-Tyr-Pro which bound the two parasitic enzymes similarly. Among this series, Cha-3-NO2-Tyr-HoCha-Pro and Cha-4-NO2-Phe-3-NO2-Tyr-Pro are the most selective for congopain relative to host cathepsins. No hydrolysis occurred upon prolonged incubation time with purified enzymes. In addition introduction of non-proteogenic residues in the peptidyl backbone greatly enhanced resistance to proteolysis by mammalian sera

New neutron detector based on Micromegas technology for ADS projects

A new neutron detector based on Micromegas technology has been developed for the measurement of the simulated neutron spectrum in the ADS project. After the presentation of simulated neutron spectra obtained in the interaction of 140 MeV protons with the spallation target inside the TRIGA core, a full description of the new detector configuration is given. The advantage of this detector compared to conventional neutron flux detectors and the results obtained with the first prototype at the CELINA 14 MeV neutron source facility at CEA-Cadarache are presented. The future developments of operational Piccolo-Micromegas for fast neutron reactors are also described

US Cosmic Visions: New Ideas in Dark Matter 2017: Community Report

This white paper summarizes the workshop "U.S. Cosmic Visions: New Ideas in Dark Matter" held at University of Maryland on March 23-25, 2017.Comment: 102 pages + reference

Measurement of the cross-section and charge asymmetry of WW bosons produced in proton-proton collisions at s=8\sqrt{s}=8 TeV with the ATLAS detector

This paper presents measurements of the $W^+ \rightarrow \mu^+\nu$ and $W^- \rightarrow \mu^-\nu$ cross-sections and the associated charge asymmetry as a function of the absolute pseudorapidity of the decay muon. The data were collected in proton--proton collisions at a centre-of-mass energy of 8 TeV with the ATLAS experiment at the LHC and correspond to a total integrated luminosity of 20.2~\mbox{fb^{-1}}. The precision of the cross-section measurements varies between 0.8% to 1.5% as a function of the pseudorapidity, excluding the 1.9% uncertainty on the integrated luminosity. The charge asymmetry is measured with an uncertainty between 0.002 and 0.003. The results are compared with predictions based on next-to-next-to-leading-order calculations with various parton distribution functions and have the sensitivity to discriminate between them.Comment: 38 pages in total, author list starting page 22, 5 figures, 4 tables, submitted to EPJC. All figures including auxiliary figures are available at https://atlas.web.cern.ch/Atlas/GROUPS/PHYSICS/PAPERS/STDM-2017-13

Search for new phenomena in final states with an energetic jet and large missing transverse momentum in pp collisions at √ s = 8 TeV with the ATLAS detector

Results of a search for new phenomena in final states with an energetic jet and large missing transverse momentum are reported. The search uses 20.3 fb−1 of √ s = 8 TeV data collected in 2012 with the ATLAS detector at the LHC. Events are required to have at least one jet with pT > 120 GeV and no leptons. Nine signal regions are considered with increasing missing transverse momentum requirements between Emiss T > 150 GeV and Emiss T > 700 GeV. Good agreement is observed between the number of events in data and Standard Model expectations. The results are translated into exclusion limits on models with either large extra spatial dimensions, pair production of weakly interacting dark matter candidates, or production of very light gravitinos in a gauge-mediated supersymmetric model. In addition, limits on the production of an invisibly decaying Higgs-like boson leading to similar topologies in the final state are presente