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ObjectiveTemporal lobe epilepsy (TLE) is a progressive disorder mediated by pathological changes in molecular cascades and hippocampal neural circuit remodeling that results in spontaneous seizures and cognitive dysfunction. Targeting these cascades may provide disease-modifying treatments for TLE patients. Janus Kinase/Signal Transducer and Activator of Transcription (JAK/STAT) inhibitors have emerged as potential disease-modifying therapies; a more detailed understanding of JAK/STAT participation in epileptogenic responses is required, however, to increase the therapeutic efficacy and reduce adverse effects associated with global inhibition.MethodsWe developed a mouse line in which tamoxifen treatment conditionally abolishes STAT3 signaling from forebrain excitatory neurons (nSTAT3KO). Seizure frequency (continuous in vivo electroencephalography) and memory (contextual fear conditioning and motor learning) were analyzed in wild-type and nSTAT3KO mice after intrahippocampal kainate (IHKA) injection as a model of TLE. Hippocampal RNA was obtained 24 h after IHKA and subjected to deep sequencing.ResultsSelective STAT3 knock-out in excitatory neurons reduced seizure progression and hippocampal memory deficits without reducing the extent of cell death or mossy fiber sprouting induced by IHKA injection. Gene expression was rescued in major networks associated with response to brain injury, neuronal plasticity, and learning and memory. We also provide the first evidence that neuronal STAT3 may directly influence brain inflammation.InterpretationInhibiting neuronal STAT3 signaling improved outcomes in an animal model of TLE, prevented progression of seizures and cognitive co-morbidities while rescuing pathogenic changes in gene expression of major networks associated with epileptogenesis. Specifically targeting neuronal STAT3 may be an effective disease-modifying strategy for TLE. ANN NEUROL 2023;94:106-122.

Organophosphate (OP) poisoning can trigger cholinergic crisis, a life-threatening toxidrome that includes seizures and status epilepticus (SE). These acute toxic responses are associated with persistent neuroinflammation and spontaneous recurrent seizures (SRS), also known as acquired epilepsy. Blood-brain barrier (BBB) impairment has recently been proposed as a pathogenic mechanism linking acute OP intoxication to chronic adverse neurological outcomes. In this review, we briefly describe the cellular and molecular components of the BBB, review evidence of altered BBB integrity following acute OP intoxication, and discuss potential mechanisms by which acute OP intoxication may promote BBB dysfunction. We highlight the complex interplay between neuroinflammation and BBB dysfunction that suggests a positive feedforward interaction. Lastly, we examine research from diverse models and disease states that suggest mechanisms by which loss of BBB integrity may contribute to epileptogenic processes. Collectively, the literature identifies BBB impairment as a convergent mechanism of neurological disease and justifies further mechanistic research into how acute OP intoxication causes BBB impairment and its role in the pathogenesis of SRS, and potentially other long-term neurological sequelae. Such research is critical for evaluating BBB stabilization as a neuroprotective strategy for mitigating OP-induced epilepsy and possibly seizure disorders of other etiologies. Significance Statement Clinical and preclinical studies support a link between BBB dysfunction and epileptogenesis; however, a causal relationship has been difficult to prove. Mechanistic studies to delineate relationships between BBB dysfunction and epilepsy may provide novel insights into BBB stabilization as a neuroprotective strategy for mitigating epilepsy resulting from acute OP intoxication and non-OP causes, and potentially other adverse neurological conditions associated with acute OP intoxication, such as

Early energy analyses of agriculture revealed that behind higher labor and land productivity of industrial farming, there was a decrease in energy returns on energy (EROI) invested, in comparison to more traditional organic agricultural systems. Studies on recent trends show that efficiency gains in production and use of inputs have again somewhat improved energy returns. However, most of these agricultural energy studies have focused only on external inputs at the crop level, concealing the important role of internal biomass flows that livestock and forestry recirculate within agroecosystems. Here, we synthesize the results of 82 farm systems in North America and Europe from 1830 to 2012 that for the first time show the changing energy profiles of agroecosystems, including livestock and forestry, with a multi-EROI approach that accounts for the energy returns on external inputs, on internal biomass reuses, and on all inputs invested. With this historical circular bioeconomic approach, we found a general trend towards much lower external returns, little or no increases in internal returns, and almost no improvement in total returns. This “energy trap” was driven by shifts towards a growing dependence of crop production on fossil-fueled external inputs, much more intensive livestock production based on feed grains, less forestry, and a structural disintegration of agroecosystem components by increasingly linear industrial farm managements. We conclude that overcoming the energy trap requires nature-based solutions to reduce current dependence on fossil-fueled external industrial inputs and increase the circularity and complexity of agroecosystems to provide healthier diets with less animal products.

Multiple sclerosis (MS) is a complex autoimmune and neurodegenerative disorder that affects the central nervous system (CNS). It is characterized by a heterogeneous disease course involving demyelination and inflammation. In this study, we utilized two distinct animal models, cuprizone (CPZ)-induced demyelination and experimental autoimmune encephalomyelitis (EAE), to replicate various aspects of the disease. We aimed to investigate the differential CNS responses by examining the proteomic profiles of EAE mice during the peak disease (15 days post-induction) and cuprizone-fed mice during the acute phase (38 days). Specifically, we focused on two different regions of the CNS: the dorsal cortex (Cx) and the entire spinal cord (SC). Our findings revealed varied glial, synaptic, dendritic, mitochondrial, and inflammatory responses within these regions for each model. Notably, we identified a single protein, Orosomucoid-1 (Orm1), also known as Alpha-1-acid glycoprotein 1 (AGP1), that consistently exhibited alterations in both models and regions. This study provides insights into the similarities and differences in the responses of these regions in two distinct demyelinating models.

In this article we employ density functional theory in the generalized gradient approximation to investigate the structural and electronic properties of the solid solution alloy ZnSexS1-x in the wurtzite structure. We analyzed the character of the bond lengths and angles at the atomic scale, using a supercell approach that does not impose any constraint on the crystal potential. We show that the bond lengths of pristine ZnS and ZnSe compounds are almost preserved between nearest neighbors, which is different from what would be anticipated if Vegard's law were valid at the atomic level. We also show that bond lengths start behaving in accordance with Vegard's law from the third shell of nearest neighbors onward, which in turn determines the average lattice parameters of the alloys determined by diffraction experiments. Fundamental building blocks around the anions are identified and are shown to be nonrigid but still volume preserving. Finally, the geometrical analysis is connected to the trend exhibited by the electronic structure, and in particular by the band gap. The latter is found to exhibit a small deviation from linearity with respect to the Se concentration, in accordance with available experimental data. By assuming a quadratic dependence, we can extract a bowing parameter and analyze various contributions to it with various calculations under selected constraints. The structural deformation in response to the doping process is shown to be the driving force behind the deviation from linearity. The difference in stiffness between ZnS and ZnSe is shown to play a key role in the asymmetric behavior of the bowing parameter observed in the S-rich and Se-rich regions., Funding agencies:Science and Engineering Research Board, Department of Science and TechnologyCouncil of Scientific & Industrial Research (CSIR) - IndiaJamsetji Tata TrustNational Research Foundation (NRF) of Korea - Korean government through the Ministry of Science and Technology Information and Communication (MSIT) 2020R1A2C101217411JRG program at the APCTP through the Science and Technology Promotion FundLottery Fund of the Korean GovernmentGyeongsangbuk-do ProvincePohang City

Mindful organising is a team level capability that allows teams in high-risk operations to anticipate when something is about to go wrong and quickly act to maintain the stability of the system. The present study aimed to add to our currently limited understanding of the team level conditions that are important for mindful organising to develop as well as broaden our understanding of the impact of mindful organising on individual safety behaviours. To do so, the authors test a multilevel mediation model using data collected from a sample of chemical workers. The model tested whether mindful organising mediates the relationship between team safety climate and individual in-role and extra-role safety behaviour. The findings showed that high levels of priority given to safety over other competing demands in a team is an important prerequisite for mindful organising to develop. The findings also showed that mindful organising leads to increased safety citizenship and compliance with safety protocol.

Epilepsy is characterized by recurrent, spontaneous seizures and is a major contributor to the global burden of neurological disease. Although epilepsy can result from a variety of brain insults, in many cases the cause is unknown and, in a significant proportion of cases, seizures cannot be controlled by available treatments. Understanding the molecular alterations that underlie or are triggered by epileptogenesis would help to identify therapeutics to prevent or control progression to epilepsy. To this end, the moderate throughput technique of Reverse Phase Protein Arrays (RPPA) was used to profile changes in protein expression in a pilocarpine mouse model of acquired epilepsy. Levels of 54 proteins, comprising phosphorylation-dependent and phosphorylation-independent components of major signaling pathways and cellular complexes, were measured in hippocampus, cortex and cerebellum of mice at six time points, spanning 15 min to 2 weeks after induction of status epilepticus. Results illustrate the time dependence of levels of the commonly studied MTOR pathway component, pS6, and show, for the first time, detailed responses during epileptogenesis of multiple components of the MTOR, MAPK, JAK/STAT and apoptosis pathways, NMDA receptors, and additional cellular complexes. Also noted are time- and brain region- specific changes in correlations among levels of functionally related proteins affecting both neurons and glia. While hippocampus and cortex are primary areas studied in pilocarpine-induced epilepsy, cerebellum also shows significant time-dependent molecular responses.

Objective: To evaluate the results of the impact of oral health on quality of life through the OHIP-14 in relation to dental caries and social determinants in Venezuelan migrants. Methodology: A cross-sectional study was carried out in a population of 350 Venezuelan migrants (30.1±7.4 years; 52% Men). Where to evaluate the impact of oral health on quality of life, the “Oral Health Impact Profile Spanish version Lima” questionnaire (OHIP-14sp Lima) was used, contrasting with both clinical (DMFT index) and sociodemographic factors, in order to determine the influence of these on the instrument. The impact of oral health on quality of life (OHIP-14) was determined, according to the average general score and by dimensions. Subsequently, a clinical examination was carried out evaluating the presence of dental caries lesions (DMFT Index) and sociodemographic data were collected through a survey. Results: The average of the OHIP-14sp Lima generated a negative impact of 10.6% on the migrant population. The dimension of "Psychological Discomfort" was the one that showed a higher frequency of negative impact with a percentage of 38.3%. Conclusion: The results of the OHIP-14 sp Lima in the total of evaluated migrants were low in percentage terms, generating mostly an average of a positive impact. However, it cannot be ruled out that sociodemographic factors such as sex and levels of education; they were factors that did generate a negative impact, significantly affecting the results observed in one or more of the dimensions evaluated using the OHIP-14 instrument in the present study., Evaluar los resultados del impacto de la salud oral en la calidad de vida mediante el OHIP-14 en relación a la caries dental y los determinantes sociales en migrantes venezolanos. Metodología: Se realizó un estudio transversal en una población de 350 migrantes venezolanos (30.1±7,4 años; 52% Varones). Donde para evaluar el impacto de la salud oral en la calidad de vida se utilizó el cuestionario “Oral Health Impact Profile spanish versión Lima” (OHIP-14sp Lima), contrastándose tanto con factores clínicos (índice CPOD) como sociodemográficos, para poder determinar la influencia de estos sobre el instrumento. Se determinó el impacto de la salud oral en la calidad de vida (OHIP-14), según el promedio de puntaje general y por dimensiones. Posteriormente, se realizó un examen clínico evaluando la presencia de lesiones de caries dental (Índice CPOD) y se recolectaron datos sociodemográficos por medio de una encuesta. Resultados: El promedio del OHIP-14sp Lima generó un impacto negativo del 10.6% en la población migrante. Donde la dimensión de “Malestar Psicológico” fue la que demostró una mayor frecuencia de impacto negativo con un porcentaje de 38,3%. Conclusión: Los resultados del OHIP-14 sp Lima en el total de migrantes evaluados, fueron bajos en términos porcentuales, generando en su mayoría un promedio de un impacto positivo. Sin embargo, no se puede descartar que factores sociodemográficos como el sexo y niveles de escolaridad; fueron factores que sí generaron un impacto negativo, afectando significativamente los resultados observados en una o varias de las dimensiones evaluadas mediante el instrumento OHIP-14 en el presente estudio.

La investigación está centrada a realizar un análisis de tipo documental sobre el suministro de energía como factor determinante de la competitividad en Pymes ecuatorianas. Para ello, se plantearon como objetivos indagar sobre la forma en que el suministro de energía impacta en la productividad de estas organizaciones, determinar los elementos implicados en el suministro de energía en las pymes ecuatorianas y reflexionar sobre los aportes que tiene el suministro eficiente en la competitividad de las Pymes. A nivel metodológico se trabajó utilizando la metodología conocida como “Revisión Sistemática de la Literatura” (Systematic Literature Review - SLR). El método incorpora la Declaración Prisma como opción de organización de la búsqueda, filtrado y selección de los papers obtenidos en este caso de plataformas científicas indexadas como: SciELO, Redalyc y Dialnet. Los resultados mostraron que existe una distribución desigual a nivel energético en el que los países están buscando alternativas para optimizar la situación y apoyar el crecimiento de los pueblos, esta situación impacta en la competitividad organizacional. En el caso de Ecuador existen diversas alternativas que se están buscando implementar respecto a energías alternativas como opción a la necesidad de disminuir el consumo de combustibles fósiles e influir positivamente en las Pymes apoyando una mejor productividad. Actualmente, la Agencia de Regulación y Control de Electricidad (ARCONEL) busca implementar planes de expansión y lograr la generación de cambio en el suministro eléctrico, con la idea de apoyar los procesos desarrollados por las Pymes. Se concluye la necesidad de encontrar alternativas para mejorar el suministro eléctrico y apoyar la competitividad en las Pymes, reconociendo que en la medida en que se desarrollen eficientemente los procesos será posible ser más competitivos y adecuarse a los retos actuales.

Aerogels are the lightest processed solid materials on Earth and with the largest empty volume fraction in their structure. Composition versatility, modularity, and feasibility of industrial scale manufacturing are behind the fast emergence of aerogels in the drug delivery field. Compared to other 3D materials, the high porosity (interconnected mesopores) and high specific surface area of aerogels may allow faster loading of small-molecule drugs, less constrained access to inner regions of the matrix, and more efficient interactions of the biological milieu with the polymer matrix. Processing in supercritical CO2 medium for both aerogel production (drying) and drug loading (impregnation) has remarkable advantages such as absence of an oxidizing environment, clean manufacture, and easiness for the scale-up under good manufacturing practices. The aerogel solid skeleton dictates the chemical affinity to the different drugs, which in turn determines the loading efficiency and the release pattern. Aerogels can be used to increase the solubility of BCS Class II and IV drugs because the drug can be deposited in amorphous state onto the large surface area of the skeleton, which facilitates a rapid contact with the body fluids, dissolution, and release. Conversely, tuning the aerogel structure by functionalization with drug-binding moieties or stimuli-responsive components, application of coatings and incorporation of drug-loaded aerogels into other matrices may enable site-specific, stimuli-responsive, or prolonged drug release. The present review deals with last decade advances in aerogels for drug delivery. An special focus is paid first on the loading efficiency of active ingredients and release kinetics under biorelevant conditions. Subsequent sections deal with aerogels intended to address specific therapeutic demands. In addition to oral delivery, the physical properties of the aerogels appear to be very advantageous for mucosal administration routes, such as pulmonar, European Union (EU); Horizon 2020; Commission (EC); COST Action; Advanced Engineering and Research of aeroGels for Environment and Life Sciences (AERoGELS); Xunta de Galicia; MCIUN; Hungarian Science Foundation; MINECO Ramón y Cajal Fellowship; Agencia Estatal de Investigación [AEI]; FEDER Funds; National Research, Development and Innovation Office

We compute the phonon dispersion, density of states, and the Grüneisen parameters of bulk palladium in the combined density functional theory (DFT) and dynamical mean-field theory. We find good agreement with experimental results for ground-state properties (equilibrium lattice parameter and bulk modulus) and the experimentally measured phonon spectra. We demonstrate that at temperatures Tâ‰20K the phonon frequency in the vicinity of the Kohn anomaly, ωT1(qK), strongly decreases. This is in contrast to DFT where this frequency remains essentially constant in the whole temperature range. Apparently, correlation effects reduce the restoring force of the ionic displacements at low temperatures, leading to a mode softening. © 2020 American Physical Society.

Background The real impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on overall mortality remains uncertain as surveillance reports have attributed a limited number of deaths to novel coronavirus disease 2019 (COVID-19) during the outbreak. The aim of this study was to assess the excess mortality during the COVID-19 outbreak in highly impacted areas of northern Italy. Methods We analysed data on deaths that occurred in the first 4 months of 2020 provided by the health protection agencies (HPAs) of Bergamo and Brescia (Lombardy), building a time-series of daily number of deaths and predicting the daily standardised mortality ratio (SMR) and cumulative number of excess deaths through a Poisson generalised additive model of the observed counts in 2020, using 2019 data as a reference.Results We estimated that there were 5740 (95% credible set (CS) 5552–5936) excess deaths in the HPA of Bergamo and 3703 (95% CS 3535–3877) in Brescia, corresponding to a 2.55-fold (95% CS 2.50–2.61) and 1.93 (95% CS 1.89–1.98) increase in the number of deaths. The excess death wave started a few days later in Brescia, but the daily estimated SMR peaked at the end of March in both HPAs, roughly 2 weeks after the introduction of lockdown measures, with significantly higher estimates in Bergamo (9.4, 95% CI 9.1–9.7). Conclusion Excess mortality was significantly higher than that officially attributed to COVID-19, disclosing its hidden burden likely due to indirect effects on the health system. Time-series analyses highlighted the impact of lockdown restrictions, with a lower excess mortality in the HPA where there was a smaller delay between the epidemic outbreak and their enforcement.

The main goal of the thesis is to study the influence of flexible, lubricated bearings and flexible shafts in the drivetrain dynamic analysis. Two main effects of the flexible, lubricated bearings need to be considered: first one refers to the inner drag torque in the bearings under the influence of lubrication, which has a purely rotational effect that is expected to have a considerable influence on torsional damping. Second one refers to the three-dimensional flexibility of the bearings that, together with the flexibility of the shaft, will have an influence on gear alignment and therefore on the rotational dynamics., Outgoing

Background: The real impact of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) on overall mortality remains uncertain as surveillance reports have attributed a limited number of deaths to novel coronavirus disease 2019 (COVID-19) during the outbreak. The aim of this study was to assess the excess mortality during the COVID-19 outbreak in highly impacted areas of northern Italy. Methods: We analysed data on deaths that occurred in the first 4 months of 2020 provided by the health protection agencies (HPAs) of Bergamo and Brescia (Lombardy), building a time-series of daily number of deaths and predicting the daily standardised mortality ratio (SMR) and cumulative number of excess deaths through a Poisson generalised additive model of the observed counts in 2020, using 2019 data as a reference. Results: We estimated that there were 5740 (95% credible set (CS) 5552–5936) excess deaths in the HPA of Bergamo and 3703 (95% CS 3535–3877) in Brescia, corresponding to a 2.55-fold (95% CS 2.50–2.61) and 1.93 (95% CS 1.89–1.98) increase in the number of deaths. The excess death wave started a few days later in Brescia, but the daily estimated SMR peaked at the end of March in both HPAs, roughly 2 weeks after the introduction of lockdown measures, with significantly higher estimates in Bergamo (9.4, 95% CI 9.1–9.7). Conclusion: Excess mortality was significantly higher than that officially attributed to COVID-19, disclosing its hidden burden likely due to indirect effects on the health system. Time-series analyses highlighted the impact of lockdown restrictions, with a lower excess mortality in the HPA where there was a smaller delay between the epidemic outbreak and their enforcement.

Conducting and magnetic properties of a material often change in some confined geometries. However, a situation where a nonmagnetic semiconductor becomes both metallic and magnetic at the surface is quite rare, or maybe even unique. In this Rapid Communication, we employ first-principles electronic structure theory to predict that such a peculiar magnetic state emerges in a family of quaternary Heusler compounds. We investigate magnetic and electronic properties of CoCrTiP, FeMnTiP, and CoMnVAl. For the latter material, we also analyze the structural stability of various surface terminations. For the ideal CoMn termination we calculate the magnetic exchange interactions and use them for parametrizing an effective spin Hamiltonian. According to our results, magnetism in this material should persist at temperatures at least as high as 160 K., Funding Agencies:Augsburg Center for Innovative Technologies German Research Foundation (DFG) 107745057 -TRR 80/F6

El presente estudio investigativo consistió en determinar en qué medida el Marketing influye en el desarrollo empresarial en las Pymes del sector comercial de Manta. La justificación teórica se basa en el estudio de varios enfoques, considerando el marketing y su influencia en las Pymes y su aplicabilidad a todas las empresas sin importar su tamaño. A través de este estudio se pretende identificar si las Pymes de Manta aplican al marketing. La información se obtendrá a través de encuestas realizadas a los trabajadores, gerentes y propietarios de los negocios. Para la elaboración de este estudio se llevó a cabo bajo un enfoque mixto, cuali-cuantitativo, de tipo descriptiva, también se aplicó la observación para el análisis de la información, la cantidad de Pymes encuestadas en la ciudad de Manta fueron 214 donde se recopiló información relevante que sirvió para elaborar propuestas que contribuyen al mejorar el desempeño y desarrollo de las Pymes. Debido a los resultados obtenidos mediante las encuestas realizadas se logra determinar que la aplicación del Marketing influye económicamente por medio del crecimiento de las ventas y ganancias monetarias. Aproximadamente el 85% de las Pymes, consideran que la dimensión Producto es significativo para su crecimiento debido a la prestación de atención y análisis que conlleva como lo es su ciclo de vida. También, para la mayoría de las Pymes los asesores de ventas son imprescindibles para el desarrollo de su empresa, aclaran que estos son los encargados de incrementar sus ventas.

La globalización ha transformado los enfoques tradicionales de comercialización y crecimiento empresarial. Las pymes en Ecuador representan el entramado industrial, más numeroso del país ya que aglutinan a más del 97%b de las empresas. Sin embargo, la complejidad de un mercado constantemente en cambio, y con clientes cada vez más exigentes, las obliga a emplear el marketing como herramienta para establecer vínculos de tipo subjetivo con los clientes, sobre la base de la satisfacción de necesidades, demandas de servicios y productos de calidad. El marketing contempla un vasto campo de acción, pero en las actuales circunstancias la fidelización empresarial se debe establecer como un punto de partida, para un cambio de cultura por parte del empresariado y la empresa, que facilite la tarea de hacer frente a la incertidumbre. La producción de valor subjetivo es la idea de toda campaña de fidelización, orientada hacia el cliente y el marketing, pensado para pymes puede significar una victoria en este sentido.

La globalización ha transformado los enfoques tradicionales de comercialización y crecimiento empresarial. Las pymes en Ecuador representan el entramado industrial, más numeroso del país ya que aglutinan a más del 97%b de las empresas. Sin embargo, la complejidad de un mercado constantemente en cambio, y con clientes cada vez más exigentes, las obliga a emplear el marketing como herramienta para establecer vínculos de tipo subjetivo con los clientes, sobre la base de la satisfacción de necesidades, demandas de servicios y productos de calidad. El marketing contempla un vasto campo de acción, pero en las actuales circunstancias la fidelización empresarial se debe establecer como un punto de partida, para un cambio de cultura por parte del empresariado y la empresa, que facilite la tarea de hacer frente a la incertidumbre. La producción de valor subjetivo es la idea de toda campaña de fidelización, orientada hacia el cliente y el marketing, pensado para pymes puede significar una victoria en este sentido.

In this study, we analyzed the impact that spontaneous seizures might have on the plasma membrane expression, composition and function of GABAA receptors (GABAARs). For this, the tissue of chronically epileptic rats was collected within 3h of seizure occurrence (≤3h group) or at least 24h after seizure occurrence (≥24h group). A retrospective analysis of seizure frequency revealed that selecting animals on the bases of seizure proximity also grouped animals in terms of overall seizure burden with a higher seizure burden observed in the ≤3h group. A biochemical analysis showed that although animals with more frequent/recent seizures (≤3h group) had similar levels of GABAAR at the plasma membrane they showed deficits in inhibitory neurotransmission. By contrast, the tissue obtained from animals experiencing infrequent seizures (≥24h group) had increased plasma membrane levels of GABAAR and showed no deficit in inhibitory function. Together, our findings offer an initial insight into the molecular changes that might help to explain how alterations in GABAAR function can be associated with differential seizure burden. Our findings also suggest that increased plasma membrane levels of GABAAR might act as a compensatory mechanism to more effectively maintain inhibitory function, repress hyperexcitability and reduce seizure burden. This study is an initial step towards a fuller characterization of the molecular events that trigger alterations in GABAergic neurotransmission during chronic epilepsy.

__Background:__ The need for wildlife health surveillance as part of disease control in wildlife, domestic animals and humans on the global level is widely recognized. However, the objectives, methods and intensity of existing wildlife health surveillance programs vary greatly among European countries, resulting in a patchwork of data that are difficult to merge and compare. This survey aimed at evaluating the need and potential for data harmonization in wildlife health in Europe. The specific objective was to collect information on methods currently used to estimate host abundance and pathogen prevalence. Questionnaires were designed to

We present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density functional theory plus Hubbard U calculations and extract the effective exchange parameters (Jij's) using the magnetic force theorem. We find that the effects of geometrical relaxation at the surface as well as the change of crystal field are very strong and are able to influence the lower-energy magnetic configuration. In particular, our analysis reveals that the exchange interaction between the Mn atoms belonging to the surface and the subsurface layers is very sensitive to the structural changes. An earlier study [A. Filippetti and W. E. Pickett, Phys. Rev. Lett. 83, 4184 (1999)PRLTAO0031-900710.1103/PhysRevLett.83.4184] suggested that this coupling is ferromagnetic and gives rise to the spin-flip (SF) process on the surface of CMO. In our work, we confirm their finding for an unrelaxed geometry, but once the structural relaxations are taken into account, this exchange coupling changes its sign. Thus, we suggest that the surface of CMO should have the same G-type antiferromagnetic order as in the bulk. Finally, we show that the suggested SF can be induced in the system by introducing an excess of electrons. © 2017 American Physical Society.

Recent progress in materials informatics has opened up the possibility of a new approach to accessing properties of materials in which one assays the aggregate properties of a large set of materials within the same class in addition to a detailed investigation of each compound in that class. Here we present a large scale investigation of electronic properties and correlated magnetism in Ce-based compounds accompanied by a systematic study of the electronic structure and 4f-hybridization function of a large body of Ce compounds. We systematically study the electronic structure and 4f-hybridization function of a large body of Ce compounds with the goal of elucidating the nature of the 4f states and their interrelation with the measured Kondo energy in these compounds. The hybridization function has been analyzed for more than 350 data sets (being part of the IMS database) of cubic Ce compounds using electronic structure theory that relies on a full-potential approach. We demonstrate that the strength of the hybridization function, evaluated in this way, allows us to draw precise conclusions about the degree of localization of the 4f states in these compounds. The theoretical results are entirely consistent with all experimental information, relevant to the degree of 4f localization for all investigated materials. Furthermore, a more detailed analysis of the electronic structure and the hybridization function allows us to make precise statements about Kondo correlations in these systems. The calculated hybridization functions, together with the corresponding density of states, reproduce the expected exponential behavior of the observed Kondo temperatures and prove a consistent trend in real materials. This trend allows us to predict which systems may be correctly identified as Kondo systems. A strong anticorrelation between the size of the hybridization function and the volume of the systems has been observed. The information entropy for this set of systems is about 0., Funding Agencies:KAW 2013.0020 2012.0031 2013.0096 eSSENCE STandUP UD DOE E3B7 Villum foundation

At ambient pressure the element cerium shows a metastable (t(1/2) similar to 40 years) double-hexagonal close-packed beta phase that is positioned between two cubic phases, gamma and alpha. With modest pressure the beta phase can be suppressed, and a volume contraction (17%) occurs between the gamma and the alpha phases as the temperature is varied. This phenomenon has been linked to subtle alterations in the 4f band. In order to rationalize the presence of the metastable beta phase, and its position in the phase diagram, we have computed the stacking fault formation energies of the cubic phases of cerium using an axial interaction model. This model links the total energy differences between hexagonal closed-packed stacking sequences and stacking fault energetics. Total energies are calculated by density functional theory and by dynamical mean-field theory merged with density functional theory. It is found that there is a large difference in the stacking fault energies between the alpha and the gamma phase. The beta-phase energy is nearly degenerate with the gamma phase, consistent with previous third-law calorimetry results, and dislocation dynamics explain the pressure and temperature hysteretic effects., QC 20160420

Including on-site electronic interactions described by the multiorbital Hubbard model we study the correlation effects in the electronic structure of bulk palladium. We use a combined density functional and dynamical mean-field theory, LDA+DMFT, based on the fluctuation exchange approximation. The agreement between the experimentally determined and the theoretical lattice constant and bulk modulus is improved when correlation effects are included. It is found that correlations modify the Fermi surface around the neck at the L point while the Fermi surface tube structures show little correlation effects. At the same time we discuss the possibility of satellite formation in the high-energy binding region. Spectral functions obtained within the LDA+DMFT and GW methods are compared to discuss nonlocal correlation effects. For relatively weak local Coulomb interaction and Hund's exchange coupling the LDA+DMFT spectra show no major difference in comparison to GW., QC 20160527

We have revisited the valence band electronic structure of NiO by means of hard x-ray photoemission spectroscopy (HAXPES) together with theoretical calculations using both the GW method and the local density approximation + dynamical mean-field theory (LDA+DMFT) approaches. The effective impurity problem in DMFT is solved through the exact diagonalization (ED) method. We show that the LDA+DMFT method in conjunction with the standard fully localized limit (FLL) and around mean field (AMF) double-counting alone cannot explain all the observed structures in the HAXPES spectra. GW corrections are required for the O bands and Ni-s and p derived states to properly position their binding energies. Our results establish that a combination of the GW and DMFT methods is necessary for correctly describing the electronic structure of NiO in a proper ab initio framework. We also demonstrate that the inclusion of photoionization cross section is crucial to interpret the HAXPES spectra of NiO. We argue that our conclusions are general and that the here suggested approach is appropriate for any complex transition metal oxide., QC 20160720

We have studied in detail the electronic structure of CeN including spin orbit coupling (SOC) and electron electron interaction, within the dynamical mean-field theory combined with density-functional theory in generalized gradient approximation (GGA+DMFT). The effective impurity problem has been solved through the spin-polarized T-matrix fluctuation-exchange (SPTF) solver and the Hubbard I approximation (HIA). The calculated l-projected atomic partial densities of states and the converged potential were used to obtain the X-ray-photoemission-spectra (XPS) and Bremstrahlung Isochromat spectra (BIS). Following the spirit of Gunnarsson-Schonhammer model, we have coupled the SPTF and HIA 4f spectral functions to explain the various spectroscopic manifestations of CeN. Our computed spectra in such a coupled scheme explain the experimental data remarkably well, establishing the validity of our theoretical model in analyzing the electronic structure of CeN. The contribution of the various l-states in the total spectra and the importance of cross sections are also analyzed in detail., QC 20160615

In this work we examine critically the electronic structure of the rare-earth elements by use of the so-called Hubbard I approximation. From the theoretical side all measured features of both occupied and unoccupied states are reproduced, without significant deviations between observations and theory. We also examine cohesive properties like the equilibrium volume and bulk modulus, where we find, in general, a good agreement between theory andmeasurements. In addition, we have reproduced the spin and orbital moments of these elements as they are reflected from measurements of the saturation moment. We have also employed the Hubbard I approximation to extract the interatomic exchange parameters of an effective spin Hamiltonian for the heavy rare earths. We show that the Hubbard I approximation gives results which are consistent with calculations where 4f electrons are treated as core states for Gd. The latter approach was also used to address the series of the heavy/late rare earths. Via Monte Carlo simulations we obtained ordering temperatures which reproduce measurements within about 20%. We have further illustrated the accuracy of these exchange parameters by comparing measured and calculated magnetic configurations for the heavy rare earths and the magnon dispersion for Gd. The Hubbard I approximation is compared to other theories of the electronic structure, and we argue that it is superior. We discuss the relevance of our results in general and how this makes it possible to treat the electronic structure of materials containing rare-earth elements, such as permanent magnets, magnetostrictive compounds, photovoltaics, optical fibers, topological insulators, and molecular magnets., QC 20160926

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Contains fulltext : 166128.pdf (preprint version ) (Open Access), By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the 3d orbitals of E-g and T-2g symmetries. The latter ones define the shape of the Fermi surface, while the former ones form weakly interacting impurity levels. We demonstrate that, as a result of this, in Fe the T-2g orbitals participate in exchange interactions, which are only weakly dependent on the configuration of the spin moments and thus can be classified as Heisenberg-like. These couplings are shown to be driven by Fermi surface nesting. In contrast, for the E-g states, the Heisenberg picture breaks down since the corresponding contribution to the exchange interactions is shown to strongly depend on the reference state they are extracted from. Our analysis of the nearest-neighbor coupling indicates that the interactions among E-g states are mainly proportional to the corresponding hopping integral and thus can be attributed to be of double-exchange origin. By making a comparison to other magnetic transition metals, we put the results of bcc Fe into context and argue that iron has a unique behavior when it comes to magnetic exchange interactions.

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The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the reproducibility of such predictions. We report the results of a community-wide effort that compared 15 solid-state codes, using 40 different potentials or basis set types, to assess the quality of the Perdew-Burke-Ernzerhof equations of state for 71 elemental crystals. We conclude that predictions from recent codes and pseudopotentials agree very well, with pairwise differences that are comparable to those between different high-precision experiments. Older methods, however, have less precise agreement. Our benchmark provides a framework for users and developers to document the precision of new applications and methodological improvements.

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En este trabajo se realizó una exhaustiva revisión bibliografía en la cual se abordaron aspectos referidos al tema como: importancia de las remesas para los países, comportamiento estadístico en el Ecuador y sus perspectivas de desarrollo, teniendo en cuenta que a escala mundial, el número de migrantes internacionales aumentó en el mundo en casi 100 millones de personas entre 1960 y 2000, alcanzando unos 180 millones , lo que ocasiono un flujo de remesas importantes , la cual tiene un impacto microeconómico y macroeconómico en los países. Pudo concluirse que impulsar la inversión de remesas se requiere: Un cambio de cultura, un trabajo interrelacionado entre todos los actores del flujo migratorio y entre los que no lo son también, planificación, acción y transparencia en la gestión pública.

La globalización y el desarrollo económico del mundo actual, ha hecho que la población tenga cada vez menos tiempo para actividades no relacionadas directamente con su trabajo, por lo que muchas personas se ven obligadas a comer en poco tiempo y consumen alimentos calificados como “comida rápida”. El mercado de comida, en la última década ha tendido a dar este tipo de soluciones rápidas, modificando su menú e incluso su ubicación. Adicionalmente, se ha identificado la carencia de espacios diferentes, alternativos y asequibles de entretenimiento en la ciudad de Chone. Por ello nace la necesidad de elaborar un proyecto de factibilidad sobre la creación de un restaurante en la zona Av. Sixto Durán Ballén, Ciudad de Chone, que brinde una alternativa sana de comida rápida, así como también alternativas de esparcimiento que contribuirá a satisfacer las necesidades del mercado actual y generará fuentes de empleo. Para lo cual se realizó un estudio de mercado determinando así las tendencias de consumo de comida rápida de la población y el nicho de mercado al que se enfocaría este proyecto.

By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the 3d orbitals of Eg and T2g symmetries. The latter ones define the shape of the Fermi surface, while the former ones form weakly interacting impurity levels. We demonstrate that, as a result of this, in Fe the T2g orbitals participate in exchange interactions, which are only weakly dependent on the configuration of the spin moments and thus can be classified as Heisenberg-like. These couplings are shown to be driven by Fermi surface nesting. In contrast, for the Eg states, the Heisenberg picture breaks down since the corresponding contribution to the exchange interactions is shown to strongly depend on the reference state they are extracted from. Our analysis of the nearest-neighbor coupling indicates that the interactions among Eg states are mainly proportional to the corresponding hopping integral and thus can be attributed to be of double-exchange origin. By making a comparison to other magnetic transition metals, we put the results of bcc Fe into context and argue that iron has a unique behavior when it comes to magnetic exchange interactions. © 2016 American Physical Society.

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Contains fulltext : 166128pub.pdf (Publisher’s version ) (Open Access) Contains fulltext : 166128.pdf (preprint version ) (Open Access), By means of first principles calculations, we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure reveals a drastic difference between the 3d orbitals of E-g and T-2g symmetries. The latter ones define the shape of the Fermi surface, while the former ones form weakly interacting impurity levels. We demonstrate that, as a result of this, in Fe the T-2g orbitals participate in exchange interactions, which are only weakly dependent on the configuration of the spin moments and thus can be classified as Heisenberg-like. These couplings are shown to be driven by Fermi surface nesting. In contrast, for the E-g states, the Heisenberg picture breaks down since the corresponding contribution to the exchange interactions is shown to strongly depend on the reference state they are extracted from. Our analysis of the nearest-neighbor coupling indicates that the interactions among E-g states are mainly proportional to the corresponding hopping integral and thus can be attributed to be of double-exchange origin. By making a comparison to other magnetic transition metals, we put the results of bcc Fe into context and argue that iron has a unique behavior when it comes to magnetic exchange interactions.