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Background: Plasmodium vivax can cause complicated manifestations, and the mechanisms that lead to this situation are not entirely clear. The presence of parasite and parasite-derived components triggers the inflammatory response, which is characterized by the production of pro- and anti-inflammatory molecules. These molecules may be responsible for the damage observed in different affected organs in complicated malaria. Objective: To evaluate the role of cytokines and chemokines in the development of complications in malaria caused by P. vivax. Materials and methods: Thirteen cytokines and chemokines were quantified in 106 people with malaria (severe and not severe) and 50 controls, with bead-based multiplex assay. The study variables were analyzed by non-parametric tests were carried with Prima and R statistical software. Fitting models with interaction to study the complication probability, using Lasso regression with readjustment of Gamlss models of binomial family. Results: IL-10, IL-6 and IFNg had higher concentration in the severe malaria group (<0.0001) and lower concentration of TGF-b (<0.0001), compared with non-severe malaria group and control group. IL-10, IL-6, IFNg showed a negative correlation with platelet count in severe malaria, IL-6 and IFNg specifically with severe thrombocytopenia; and a positive correlation between IFNg and transaminases, and IL-2 and creatinine. Lasso regression model suggests that IL-4, IL-10, CCL2 and TGF-β might be developed as prognostic for severity in P. vivax malaria. Conclusions: The inflammatory response during P. vivax infection can mediate the development of hematological, renal, and hepatic complications. TGF-b to protect against the development of complicated forms of P. vivax malaria. [ABSTRACT FROM AUTHOR]

Non molecular CO2 has been an important subject of study in high pressure physics and chemistry for the past decade opening up a unique area of carbon chemistry. The phase diagram of CO2 includes several non molecular phases above 30 GPa. Among these. the first discovered was CO2-V which appeared silica-like. Theore- tical studies suggested that the structure of CO2-V is related to that of β-cristobalite with tetrahedral carbon coordination similar to silicon in SiO2, but reported experimental structural studies have been controversial. We have investigated CO2-V obtained from molecular CO2 at 40-50 GPa and T> 1500 K using synchrotron X-ray diffraction, optical spectroscopy, and computer simulations. The structure refined by the Rietveld method is a partially collapsed variant of SiO2 β-cristobalite, space group 142d, in which the CO4 tetrahedra are tilted by 38.4° about the c-axis. The existence of CO4 tetrahedra (average O-C-O angle of 109.5°) is thus confirmed. The results add to the knowledge of carbon chemistry with mineral phases similar to SiO2 and potential implications for Earth and planetary interiors. [ABSTRACT FROM AUTHOR]

Osmium nitride belongs to a family of nitrides synthesized recently at high pressures from their parent elements. Here we show, based on first-principles calculations, that the crystal structure of osmium nitride is isostructural to marcasite. Excellent agreement is obtained between the authors’ results and x-ray, Raman, and compressibility measurements. In the OsN2 marcasite structure single-bonded N2 units occupy the interstitial sites of the Os close-packed lattice, giving rise to a metallic compound. A comparison between the formation energies of OsN2 and PtN2 explains the similar thermodynamic conditions of formation reported experimentally for the two compounds. [ABSTRACT FROM AUTHOR]

The atomic structure of small Cu clusters with 3–6 atoms has been investigated by density functional theory and random search algorithm. New metastable structures have been found that lie merely tens of meV/atom above the corresponding ground state, and could therefore be present at thermodynamic equilibrium at room temperature or slightly above. Moreover, we show that the previously proposed linear configuration for Cu 3 is in fact a local maximum of the energy. Finally, we argue that the random search algorithm also provides qualitative information about the attraction basin of each structure in the energy landscape. [ABSTRACT FROM AUTHOR]

An ecosystem is healthy if it is active, maintains its organization and autonomy over time, and is resilient to stress. Healthy ecosystems provide human well‐being via ecosystem services, which are produced in interaction with human, social, and built capital. These services are affected by different ecosystem stewardship schemes. Therefore, society should be aiming for ecosystem health stewardship at all levels to maintain and improve ecosystem services. We review the relationship between ecosystem health and ecosystem services, based on a logic chain framework starting with (1) a development or conservation policy, (2) a management decision or origin of the driver of change, (3) the driver of change itself, (4) the change in ecosystem health, (5) the change in the provision of ecosystem services, and (6) the change in their value to humans. We review two case studies to demonstrate the application of this framework. We analyzed 6,131 records from the Ecosystem Services Valuation Database (ESVD) and found that in approximately 58% of the records data on ecosystem health were lacking. Finally, we describe how the United Nations' System of Environmental‐Economic Accounting (SEEA) incorporates ecosystem health as part of efforts to account for natural capital appreciation or depreciation at the national level. We also provide recommendations for improving this system. [ABSTRACT FROM AUTHOR]

Highlights • The tetragonal P4/ nmm WO 3 bulk and (100) surface are studied using sp-DFT+vdW. • Adsorption properties (on the surface) of molecules involved in the ethylene hydration. • The (100) surface contains five chemically distinct atoms: W5c, three O 2 c , and a O1c. • The surface presents high reactivity towards water and ethylene. • The obtained configurations of the reactants suggest a Rideal–Eley mechanism. Graphical abstract Abstract Industrial demand for ethanol has stimulated research on improved catalysts for ethylene hydration. WO 3 and other tungsten-based catalysts have been used in direct hydration of ethylene to ethanol, showing high conversion rate and selectivity toward this reaction. By using first-principles calculations based on spin polarized density functional theory, including also dispersion forces, this paper presents the adsorption properties of molecules involved in the ethylene hydration on the tetragonal P 4/ nmm WO 3 (100) surface. The inclusion of dispersion forces, improved our lattice parameters prediction with respect to previous theoretical studies. For the WO 3 tetragonal crystal, the (100) surface contains five chemically distinct atoms: a five-fold coordinate W 5 c , three different types of two-fold binding oxygen O 2 c , and a single-coordinated oxygen O 1 c. The energetically favored adsorption sites of water, ethylene, and ethanol (including also hydrogen) are determined here for the first time on this surface. The surface presents high reactivity towards water and ethylene, the single-fold coordinated oxygens stabilize the adsorbed molecules and after adsorption the tungsten atoms take a W 6 c role. The obtained configurations of the reactants suggest a Rideal–Eley mechanism of ethylene over adsorbed water. These results reveal the interactions between the selected tetragonal WO 3 surface and the molecules involved in the hydration of ethylene, which ultimately determine the reaction mechanism for ethanol production. [ABSTRACT FROM AUTHOR]

• Intravenous brivaracetam for urgent seizures was effective and well-tolerated in our study. • 77.6% of patients responded to IV BRV, with a sustained response in 62.8% of them. • A high loading dose of 163.0 ± 73.0 mg was given and fast bolus infusion was related with a better response. • A prior use of IV LEV in the acute episode was related with a worse outcome. • An early use of IV BRV could be recommended although studies with larger series of patients are needed. Urgent seizures are a medical emergency for which new therapies are still needed. This study evaluated the use of intravenous brivaracetam (IV-BRV) in an emergency setting in clinical practice. BRIV-IV was a retrospective, multicenter, observational study. It included patients ≥18 years old who were diagnosed with urgent seizures (including status epilepticus (SE), acute repetitive seizures, and high-risk seizures) and who were treated with IV-BRV according to clinical practice in 14 hospital centers. Information was extracted from clinical charts and included in an electronic database. Primary effectiveness endpoints included the rate of IV-BRV responder patients, the rate of patients with a sustained response without seizure relapse in 12 h, and the time between IV-BRV administration and clinical response. Primary safety endpoints were comprised the percentage of patients with adverse events and those with adverse events leading to discontinuation. A total of 156 patients were included in this study. The mean age was 57.7 ± 21.5 years old with a prior diagnosis of epilepsy for 57.1% of patients. The most frequent etiologies were brain tumor-related (18.1%) and vascular (11.2%) epilepsy. SE was diagnosed in 55.3% of patients. The median time from urgent seizure onset to IV treatment administration was 60.0 min (range: 15.0–360.0), and the median time from IV treatment to IV-BRV was 90.0 min (range: 30.0–2400.0). Regarding dosage, the mean bolus infusion was 163.0 ± 73.0 mg and the mean daily dosage was 195.0 ± 87.0 mg. A total of 77.6% of patients responded to IV-BRV (66.3% with SE vs. 91% other urgent seizures) with a median response time of 30.0 min (range: 10.0–60.0). A sustained response was achieved in 62.8% of patients. However, adverse events were reported in 14.7%, which were predominantly somnolence and fatigue, with 4.5% leading to discontinuation. Eighty-six percent of patients were discharged with oral brivaracetam. IV-BRV in emergency settings was effective, and tolerability was good for most patients. However, a larger series is needed to confirm the outcomes. [ABSTRACT FROM AUTHOR]