Rational Design of 7-Azaindole-Based Robust Microporous Hydrogen-Bonded Organic Framework for Gas Sorption.

7-Azaindole has been integrated as building block with complementary N-H⋅⋅⋅N hydrogen bonding sites for the synthesis of a tetrahedral molecular tecton, namely tetra(α-carbolin-6-yl)methane, TACM. The self-assembly of this molecule results in a 3D hydrogen-bonded organic framework (HOF). This supramolecular structure constitutes a crystalline microporous material with an extraordinary thermal and chemical robustness.

A dataset of new occurrence records of primates from the arc of deforestation, Brazil.

​​​​​​​The so-called arc of deforestation is a major agricultural and industrial frontier in southern Amazonia and northern Cerrado of Brazil. As arboreal mammals, the primates in this region are therefore threatened by forest loss and fragmentation. At the same time, knowledge about the taxonomic diversity and distribution ranges of these taxa is incomplete, which might hamper efficient conservation measurements.

Binding of carbon dioxide and acetylene to free carboxylic acid sites in a metal-organic framework.

The functionalisation of organic linkers in metal-organic frameworks (MOFs) to improve gas uptake is well-documented. Although the positive role of free carboxylic acid sites in MOFs for binding gas molecules has been proposed in computational studies, relatively little experimental evidence has been reported in support of this. Primarily this is because of the inherent synthetic difficulty to prepare MOF materials bearing free, accessible -COOH moieties which would normally bind to metal ions within the framework structure.

Oxygen Migration Pathways in Layered LnBaCoO (Ln = La - Y) Perovskites.

Layered LnBaCoO perovskites are important mixed ionic-electronic conductors, exhibiting outstanding catalytic properties for the oxygen evolution/reduction reaction. These phases exhibit considerable structural complexity, in particular, near room temperature, where a number of oxygen vacancy ordered superstructures are found. This study uses bond valence site energy calculations to demonstrate the key underlying structural features that favor facile ionic migration.

Exceptional capture of methane at low pressure by an iron-based metal-organic framework.

The selective capture of methane (CH) at low concentrations and its separation from N are extremely challenging owing to the weak host-guest interactions between CH molecules and any sorbent material. Here, we report the exceptional adsorption of CH at low pressure and the efficient separation of CH/N by MFM-300(Fe). MFM-300(Fe) shows a very high uptake for CH of 0.

Clinical features, etiologies, and outcomes of central nervous system infections in intensive care: A multicentric retrospective study in a large Brazilian metropolitan area.

Purpose: The goal of this study was to investigate severe central nervous system infections (CNSI) in adults admitted to the intensive care unit (ICU). We analyzed the clinical presentation, causes, and outcomes of these infections, while also identifying factors linked to higher in-hospital mortality rates.

Materials And Methods: We conducted a retrospective multicenter study in Rio de Janeiro, Brazil, from 2012 to 2019.

Impact of Host-Guest Interactions on the Dielectric Properties of MFM-300 Materials.

Metal-organic framework (MOF) materials are attracting increasing interest in the field of electronics due to their structural diversity, intrinsic porosity, and designable host-guest interactions. Here, we report the dielectric properties of a series of robust materials, MFM-300(M) (M = Al, Sc, Cr, Fe, Ga, In), when exposed to different guest molecules. MFM-300(Fe) exhibits the most notable increase in dielectric constant to 35.

Direct Conversion of Methane to Ethylene and Acetylene over an Iron-Based Metal-Organic Framework.

Conversion of methane (CH) to ethylene (CH) and/or acetylene (CH) enables routes to a wide range of products directly from natural gas. However, high reaction temperatures and pressures are often required to activate and convert CH controllably, and separating C products from unreacted CH can be challenging. Here, we report the direct conversion of CH to CH and CH driven by non-thermal plasma under ambient (25 °C and 1 atm) and flow conditions over a metal-organic framework material, MFM-300(Fe).

Do Neuroprognostic Studies Account for Self-Fulfilling Prophecy Bias in Their Methodology? The SPIN Protocol for a Systematic Review.

Unlabelled: Self-fulfilling prophecy bias occurs when a perceived prognosis leads to treatment decisions that inherently modify outcomes of a patient, and thus, overinflate the prediction performance of prognostic methods. The goal of this series of systematic reviews is to characterize the extent to which neuroprognostic studies account for the potential impact of self-fulfilling prophecy bias in their methodology by assessing their adequacy of disclosing factors relevant to this bias.

Methods: Studies evaluating the prediction performance of neuroprognostic tools in cardiac arrest, malignant ischemic stroke, traumatic brain injury, subarachnoid hemorrhage, and spontaneous intracerebral hemorrhage will be identified through PubMed, Cochrane, and Embase database searches.

Mechanistic Insights into the Formation of Thermoelectric TiNiSn from In Situ Neutron Powder Diffraction.

Half-Heusler alloys are leading contenders for application in thermoelectric generators. However, reproducible synthesis of these materials remains challenging. Here, we have used in situ neutron powder diffraction to monitor the synthesis of TiNiSn from elemental powders, including the impact of intentional excess Ni.

Single-Center Description of Therapeutic Anticoagulation Practices and Outcomes in Large Hemispheric Infarctions.

Background And Objectives: Large hemispheric infarctions (LHIs) are associated with significant morbidity and mortality, with limited data on therapeutic anticoagulation (AC) management. We provide a descriptive analysis of the type of therapeutic AC used, the timing of introduction, rate of of radiographic vs symptomatic hemorrhagic transformation (HT), and patient outcomes.

Methods: This was a retrospective review of patients with acute ischemic stroke admitted to the Neurosciences intensive care unit at a tertiary care center from January 2012 to December 2018.

Formation of new crystalline qtz-[Zn(mIm)2] polymorph from amorphous ZIF-8.

The structure of a new ZIF-8 polymorph with quartz topology (qtz) is reported. This qtz-[Zn(mIm)2] phase was obtained by mechanically amorphising crystalline ZIF-8, before heating the resultant amorphous phase to between 282 and 316 °C. The high-temperature phase structure was obtained from powder X-ray diffraction, and its thermal behaviour, CO gas sorption properties and dye adsorption ability were investigated.

105 K Wide Room Temperature Spin Transition Memory Due to a Supramolecular Latch Mechanism.

Little is known about the mechanisms behind the bistability (memory) of molecular spin transition compounds over broad temperature ranges (>100 K). To address this point, we report on a new discrete Fe neutral complex [FeL] () based on a novel asymmetric tridentate ligand 2-(5-(3-methoxy-4-1,2,4-triazol-3-yl)-6-(1-pyrazol-1-yl))pyridine (L). Due to the asymmetric cone-shaped form, in the lattice, the formed complex molecules stack into a one-dimensional (1D) supramolecular chain.

Multimodal monitoring to guide neurosurgical intervention in high-grade aneurysmal subarachnoid hemorrhage: illustrative case.

Background: Multimodal monitoring to guide medical intervention in high-grade aneurysmal subarachnoid hemorrhage (aSAH) is well described. Multimodal monitoring to guide surgical intervention in high-grade aSAH has been less studied.

Observations: Intracranial pressure (ICP), brain lactate to pyruvate ratio (L/P ratio), and brain parenchymal oxygen tension (pO) were used as surrogates for clinical status in a comatose man after high-grade aSAH.

Adsorption of Sulfur Dioxide in Cu(II)-Carboxylate Framework Materials: The Role of Ligand Functionalization and Open Metal Sites.

The development of efficient sorbent materials for sulfur dioxide (SO) is of key industrial interest. However, due to the corrosive nature of SO, conventional porous materials often exhibit poor reversibility and limited uptake toward SO sorption. Here, we report high adsorption of SO in a series of Cu(II)-carboxylate-based metal-organic framework materials.

Angiographic Treatment of Asymptomatic Cerebral Vasospasm Following Aneurysmal Subarachnoid Hemorrhage for the Prevention of Delayed Cerebral Ischemia.

Objective: Angiographic treatment of asymptomatic cerebral vasospasm (CVS) in aneurysmal subarachnoid hemorrhage remains controversial. We sought to investigate its relationship with the development of delayed cerebral ischemia.

Methods: Consecutive patients admitted between July 2017 and June 2019, with a diagnosis of aneurysmal subarachnoid hemorrhage, were retrospectively analyzed.

Direct Visualization of Supramolecular Binding and Separation of Light Hydrocarbons in MFM-300(In).

The purification of light olefins is one of the most important chemical separations globally and consumes large amounts of energy. Porous materials have the capability to improve the efficiency of this process by acting as solid, regenerable adsorbents. However, to develop translational systems, the underlying mechanisms of adsorption in porous materials must be fully understood.

Synthesis and Characterization of Magnetoelectric BaMnO.

We present the synthesis of a novel binary metal oxide material: BaMnO. The crystal structure has been investigated by high-resolution powder synchrotron X-ray diffraction in the temperature range of 100-300 K as well as by powder neutron diffraction at 10 and 80 K. This material represents an isostructural barium-substituted analogue of the layered material SrMnO that forms its own structural class.

Regulating Extra-Framework Cations in Faujasite Zeolites for Capture of Trace Carbon Dioxide.

The development of cost-effective sorbents for direct capture of trace CO (<1 %) from the atmosphere is an important and challenging task. Natural or commercial zeolites are promising sorbents, but their performance in adsorption of trace CO has been poorly explored to date. A systematic study on capture of trace CO by commercial faujasite zeolites reveals that the extra-framework cations play a key role on their performance.

Manipulation of the crystalline phase diagram of hydrogen through nanoscale confinement effects in porous carbons.

Condensed phases of molecular hydrogen (H) are highly desired for clean energy applications ranging from hydrogen storage to nuclear fusion and superconductive energy storage. However, in bulk hydrogen, such dense phases typically only form at exceedingly low temperatures or extremely high (typically hundreds of GPa) pressures. Here, confinement of H within nanoporous materials is shown to significantly manipulate the hydrogen phase diagram leading to preferential stabilization of unusual crystalline H phases.

Photocatalytic degradation of ibuprofen using titanium oxide: insights into the mechanism and preferential attack of radicals.

The present work studied ibuprofen degradation using titanium dioxide as a photocatalyst. Mechanistic aspects were presented and the preferred attack sites by the OH˙ radical on the ibuprofen molecule were detailed, based on experimental and simple theoretical-computational results. Although some previous studies show mechanistic proposals, some aspects still need to be investigated, such as the participation of 4-isobutylacetophenone in the ibuprofen degradation and the preferred regions of attack by OH˙ radicals.

High capacity ammonia adsorption in a robust metal-organic framework mediated by reversible host-guest interactions.

To understand the exceptional adsorption of ammonia (NH) in MFM-300(Sc) (19.5 mmol g at 273 K and 1 bar without hysteresis), we report a systematic investigation of the mechanism of adsorption by a combination of neutron powder diffraction, inelastic neutron scattering, synchrotron infrared microspectroscopy, and solid-state Sc NMR spectroscopy. These complementary techniques reveal the formation of reversible host-guest supramolecular interactions, which explains directly the observed excellent reversibility of this material over 90 adsorption-desorption cycles.

Insights into Oxygen Migration in LaBaCoO Perovskites from Neutron Powder Diffraction and Bond Valence Site Energy Calculations.

Layered cobalt oxide perovskites are important mixed ionic and electronic conductors. Here, we investigate LaBaCoO using neutron powder diffraction. This composition is unique because it can be prepared in cubic, layered, and vacancy-ordered forms.