Identifying outstanding transition-metal-alloy heterogeneous catalysts for the oxygen reduction and evolution reactions via subgroup discovery

In order to estimate the reactivity of a large number of potentially complex heterogeneous catalysts while searching for novel and more efficient materials, physical as well as data-centric models have been developed for a faster evaluation of adsorption energies compared to first-principles calculations. However, global models designed to describe as many materials as possible might overlook the very few compounds that have the appropriate adsorption properties to be suitable for a given catalytic process. Here, the subgroup-discovery (SGD) local artificial-intelligence approach is used to identify the key descriptive parameters and constrains on their values, the so-called SG rules, which particularly describe transition-metal surfaces with outstanding adsorption properties for the oxygen reduction and evolution reactions. We start from a data set of 95 oxygen adsorption energy values evaluated by density-functional-theory calculations for several monometallic surfaces along with 16 atomic, bulk and surface properties as candidate descriptive parameters. From this data set, SGD identifies constraints on the most relevant parameters describing materials and adsorption sites that (i) result in O adsorption energies within the Sabatier-optimal range required for the oxygen reduction reaction and (ii) present the largest deviations from the linear scaling relations between O and OH adsorption energies, which limit the performance in the oxygen evolution reaction. The SG rules not only reflect the local underlying physicochemical phenomena that result in the desired adsorption properties but also guide the challenging design of alloy catalysts

The impact of West Nile virus on the abundance of selected North American birds

<p>Abstract</p> <p>Background</p> <p>The emergence of West Nile virus (WNV) in North America has been associated with high mortality in the native avifauna and has raised concerns about the long-term impact of WNV on bird populations. Here, we present results from a longitudinal analysis of annual counts of six bird species, using North American Breeding Bird Survey data from ten states (1994 to 2010). We fit overdispersed Poisson models to annual counts. Counts from successive years were linked by an autoregressive process that depended on WNV transmission intensity (annual West Nile neuroinvasive disease reports) and was adjusted by El Niño Southern Oscillation events. These models were fit using a Markov chain Monte Carlo algorithm.</p> <p>Results</p> <p>Model fit was mostly excellent, especially for American Crows, for which our models explained between 26% and 81% of the observed variance. The impact of WNV on bird populations was quantitatively evaluated by contrasting hypothetical count trajectories (omission of WNV) with observed counts. Populations of American crows were most consistently affected with a substantial cumulative impact in six of ten states. The largest negative impact, almost 60%, was found in Illinois. A regionally substantial decline was also seen for American Robins and House Sparrows, while the other species appeared unaffected.</p> <p>Conclusions</p> <p>Our results confirm findings from previous studies that single out American Crows as the species most vulnerable to WNV infection. We discuss strengths and limitations of this and other methods for quantifying the impact of WNV on bird populations.</p

Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites

Symbolic regression identifies nonlinear, analytical expressions relating materials properties and key physical parameters. However, the pool of expressions grows rapidly with complexity, compromising its efficiency. We tackle this challenge hierarchically: identified expressions are used as inputs for further obtaining more complex expressions. Crucially, this framework can transfer knowledge among properties, as demonstrated using the sure-independence-screening-and-sparsifying-operator approach to identify expressions for lattice constant and cohesive energy, which are then used to model the bulk modulus of ABO3 perovskites

Increase in West Nile Neuroinvasive Disease after Hurricane Katrina

After Hurricane Katrina, the number of reported cases of West Nile neuroinvasive disease (WNND) sharply increased in the hurricane-affected regions of Louisiana and Mississippi. In 2006, a >2-fold increase in WNND incidence was observed in the hurricane-affected areas than in previous years

INITIAL HIGH ELECTRIC FIELD – VACUUM ARC BREAKDOWN TEST RESULTS FOR ADDITIVELY MANUFACTURED PURE COPPER ELECTRODES

Additive Manufacturing (AM) is already wellestablished for various manufacturing pplications, providing many benefits such as design freedom, novel and complex cooling designs for the parts and different performance improvements, as well as significantly reducing the production time. With the mentioned characteristics, AM is also being considered as a technology for manufacturing a Radio Frequency Quadrupole (RFQ) prototype. For this application, an important parameter is the voltage holding capability of the surfaces. Furthermore, the voltage holding capability of pure copper surfaces manufactured by AM is of interest for the accelerator community at large for prospective future developments. To characterize these properties, a series of high electric field tests were performed on pure copper electrodes produced by AM, using the CERN pulsed highvoltage DC system. The tests were carried out with AM produced electrodes with large surface roughness. During the testing process, a high vacuum was maintained. The electric breakdown rate was also monitored to ensure not to exceed the breakdown limit of 10ିହ breakdowns per pulse. The achieved results provide the first, initial reference values for the performance of AM built pure copper electrodes for vacuum arc breakdown testing. Initial results prove the capability of AM electrodes to hold a high electric field, while having low breakdown rates. These are crucial results for further AM technology usage for different AM pure-copper accelerator components

Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence

The performance in heterogeneous catalysis is an example of a complex materials function, governed by an intricate interplay of several processes (e.g., the different surface chemical reactions, and the dynamic restructuring of the catalyst material at reaction conditions). Modeling the full catalytic progression via first-principles statistical mechanics is impractical, if not impossible. Instead, we show here how a tailored artificial-intelligence approach can be applied, even to a small number of materials, to model catalysis and determine the key descriptive parameters (“materials genes”) reflecting the processes that trigger, facilitate, or hinder catalyst performance. We start from a consistent experimental set of “clean data,” containing nine vanadium-based oxidation catalysts. These materials were synthesized, fully characterized, and tested according to standardized protocols. By applying the symbolic-regression SISSO approach, we identify correlations between the few most relevant materials properties and their reactivity. This approach highlights the underlying physicochemical processes, and accelerates catalyst design

Survival outcomes and effect of early vs. deferred cART among HIV-infected patients diagnosed at the time of an AIDS-defining event: a cohort analysis.

Objectives: We analyzed clinical progression among persons diagnosed with HIV at the time of an AIDS-defining event, and assessed the impact on outcome of timing of combined antiretroviral treatment (cART). Methods: Retrospective, European and Canadian multicohort study.. Patients were diagnosed with HIV from 1997-2004 and had clinical AIDS from 30 days before to 14 days after diagnosis. Clinical progression (new AIDS event, death) was described using Kaplan-Meier analysis stratifying by type of AIDS event. Factors associated with progression were identified with multivariable Cox regression. Progression rates were compared between those starting early (< 30 days after AIDS event) or deferred (30-270 days after AIDS event) cART. Results: The median (interquartile range) CD4 count and viral load (VL) at diagnosis of the 584 patients were 42 (16, 119) cells/ mL and 5.2 (4.5, 5.7) log 10 copies/mL. Clinical progression was observed in 165 (28.3%) patients. Older age, a higher VL at diagnosis, and a diagnosis of non-Hodgkin lymphoma (NHL) (vs. other AIDS events) were independently associated with disease progression. Of 366 patients with an opportunistic infection, 178 (48.6%) received early cART. There was no significant difference in clinical progression between those initiating cART early and those deferring treatment (adjusted hazard ratio 1.32 [95% confidence interval 0.87, 2.00], p=0.20). Conclusions: Older patients and patients with high VL or NHL at diagnosis had a worse outcome. Our data suggest that earlier initiation of cART may be beneficial among HIV-infected patients diagnosed with clinical AIDS in our setting

Survival Outcomes and Effect of Early vs. Deferred cART Among HIV-Infected Patients Diagnosed at the Time of an AIDS-Defining Event: A Cohort Analysis

Objectives: We analyzed clinical progression among persons diagnosed with HIV at the time of an AIDS-defining event, and assessed the impact on outcome of timing of combined antiretroviral treatment (cART).Methods: Retrospective, European and Canadian multicohort study.. Patients were diagnosed with HIV from 1997-2004 and had clinical AIDS from 30 days before to 14 days after diagnosis. Clinical progression (new AIDS event, death) was described using Kaplan-Meier analysis stratifying by type of AIDS event. Factors associated with progression were identified with multivariable Cox regression. Progression rates were compared between those starting early (<30 days after AIDS event) or deferred (30-270 days after AIDS event) cART.Results: The median (interquartile range) CD4 count and viral load (VL) at diagnosis of the 584 patients were 42 (16, 119) cells/mu L and 5.2 (4.5, 5.7) log(10) copies/mL. Clinical progression was observed in 165 (28.3%) patients. Older age, a higher VL at diagnosis, and a diagnosis of non-Hodgkin lymphoma (NHL) (vs. other AIDS events) were independently associated with disease progression. Of 366 patients with an opportunistic infection, 178 (48.6%) received early cART. There was no significant difference in clinical progression between those initiating cART early and those deferring treatment (adjusted hazard ratio 1.32 [95% confidence interval 0.87, 2.00], p = 0.20).Conclusions: Older patients and patients with high VL or NHL at diagnosis had a worse outcome. Our data suggest that earlier initiation of cART may be beneficial among HIV-infected patients diagnosed with clinical AIDS in our setting

Effect of stocking density and use of environmental enrichment materials on the welfare and the performance of pigs in the growth and finishing phases

Aim of study: To evaluate the effects of stocking density and the use of environmental enrichment (EE) objects on the welfare and the performance of pigs in the growing and finishing phases.Area of study: The southern region of Brazil.Material and methods: A total of 240 pigs, 120 immunocastrated males and 120 females, with an initial weight of 22.38 ± 2.38 kg and mean age of 65 days, were submitted to two stocking densities conditions (0.85 and 1.28 m²pig) with and without EE for 117 days. The experimental design was a 2×2×2 factorial (two categories, two densities, and two EE conditions), with six replicates. Performance variables and behavior were evaluated.Main results: For stocking density, there was a significant difference in the finishing phase from 148 to 161 days of age for the final weight (FW), average daily weight gain (ADWG), and feed conversion rate (FCR). For the EE factor, there was no difference in any of the phases or in the overall period. In the overall period, the higher availability of space improved the results of FW (140.56 kg vs 136.63 kg), ADWG (1.005 kg vs 0.974 kg), and FCR (2.05 vs 2.10). There was no effect of EE, stocking densities, or their interaction on the frequency of different behaviors of the pigs in the growth and finishing phases.Research highlights: There was no effect of interactions between enriched environments, stocking densities, and sex for animal performance and behavioral frequencies; however, differences between the factors were observed separately. The higher availability of space improved the results of FW, ADWG, and FCR