Exceptional Electrical Detection of Trace NO via Mixed Metal MOF-on-MOF Film-Based Sensors.

The tunability of metal-organic frameworks (MOFs) makes them exceptional materials for the development of highly selective, low-power sensors for toxic gas detection. Herein, we demonstrate enhanced detection of NO gas by a MOF-based electrical impedance sensor made using a unique mixed metal MOF-on-MOF synthesis. A combined experimental and computational study was performed using the exemplar NiMg-MOF-74 to understand the fundamental structure-property relationships behind metal mixing and MOF film synthesis methods on sensor performance.

Formation of β-UO from UCl Salt Compositions under Oxygen Exposure.

Complementary X-ray absorption fine structure (XAFS) and Raman spectroscopy studies were conducted on various UCl concentrations in alkali chloride salt compositions. The samples were 5 mol % UCl in LiCl (S1), 5 mol % UCl in KCl (S2), 5 mol % UCl in LiCl-KCl eutectic (S4), 50 mol % UCl in KCl (S5), and 20 mol % UCl in KCl (S6) molar concentrations. Samples were heated to 800 °C and allowed to cool to room temperature with measurements performed at selected temperatures; the highest temperatures showed the most stability and will be primarily referenced for conclusions.

On the Effectiveness of Visual Arts Therapy for Traumatic Experiences: A Systematic Review and Meta-Analysis.

Arts therapy is a popular intervention used to work through the effects of traumatic experience. We evaluate previous reviews and report a meta-analysis of the effectiveness of arts therapy following trauma for reducing symptoms of PTSD, enhancing positive outcomes (e.g.

Design Principles Guiding Solvent Size Selection in ZIF-Based Type 3 Porous Liquids for Permanent Porosity.

Porous liquids (PLs), which are solvent-based systems that contain permanent porosity due to the incorporation of a solid porous host, are of significant interest for the capture of greenhouse gases, including CO. Type 3 PLs formed by using metal-organic frameworks (MOFs) as the nanoporous host provide a high degree of chemical turnability for gas capture. However, pore aperture fluctuation, such as gate-opening in zeolitic imidazole framework (ZIF) MOFs, complicates the ability to keep the MOF pores available for gas adsorption.

Sound power and acoustic efficiency of an installed GE F404 jet engine.

Classical jet noise theory indicates that radiated sound power is proportional to the jet velocity raised to the eighth and third powers for subsonic and supersonic jets, respectively. To connect full-scale measurements with classical jet noise theory, this letter presents sound power and acoustic efficiency values for an installed GE-F404 engine. When subsonic, the change in sound power follows the eighth-power law, and the sound power change approximately follows the third-power law at supersonic conditions, with an acoustic efficiency of ∼0.

Identification and Decomposition of Uranium Oxychloride Phases in Oxygen-Exposed UCl Salt Compositions.

Complementary X-ray absorption fine structure (XAFS) spectroscopy and Raman spectroscopy studies were conducted on several UCl concentrations in several chloride salt compositions. The samples were 5% UCl in LiCl (S1), 5% UCl in KCl (S2), 5% UCl in LiCl-KCl eutectic (S3), 5% UCl in LiCl-KCl eutectic (S4), 50% UCl in KCl (S5), and 20% UCl in KCl (S6) molar concentrations. Sample S3 had UCl sourced from Idaho National Laboratory (INL), and all other samples were UCl sourced from TerraPower.

Experimental and Computational Mechanisms that Govern Long-Term Stability of CO-Adsorbed ZIF-8-Based Porous Liquids.

Porous liquids (PLs) based on the zeolitic imidazole framework ZIF-8 are attractive systems for carbon capture since the hydrophobic ZIF framework can be solvated in aqueous solvent systems without porous host degradation. However, solid ZIF-8 is known to degrade when exposed to CO in wet environments, and therefore the long-term stability of ZIF-8-based PLs is unknown. Through aging experiments, the long-term stability of a ZIF-8 PL formed using the water, ethylene glycol, and 2-methylimidazole solvent system was systematically examined, and the mechanisms of degradation were elucidated.

Can a Computer-based Force Feedback Hip Fracture Skills Simulator Improve Clinical Task Performance? A Cadaveric Validation Study.

Background: This cadaveric study seeks to determine whether skills acquired on the simulator translate to improved performance of the clinical task. We hypothesized that completion of simulator training modules would improve performance of percutaneous hip pinning.

Methods: Eighteen right-handed medical students from two academic institutions were randomized: trained (n = 9) and untrained (n = 9).

Effect of Linker Structure and Functionalization on Secondary Gas Formation in Metal-Organic Frameworks.

Rare-earth terephthalic acid (BDC)-based metal-organic frameworks (MOFs) are promising candidate materials for acid gas separation and adsorption from flue gas streams. However, previous simulations have shown that acid gases (HO, NO, and SO) react with the hydroxyl on the BDC linkers to form protonated acid gases as a potential degradation mechanism. Herein, gas-phase computational approaches were used to identify the formation energies of these secondary protonated acid gases across multiple BDC linker molecules.

Dramatic Enhancement of Rare-Earth Metal-Organic Framework Stability Via Metal Cluster Fluorination.

Rare-earth polynuclear metal-organic frameworks (RE-MOFs) have demonstrated high durability for caustic acid gas adsorption and separation based on gas adsorption to the metal clusters. The metal clusters in the RE-MOFs traditionally contain RE metals bound by μ-OH groups connected via organic linkers. Recent studies have suggested that these hydroxyl groups could be replaced by fluorine atoms during synthesis that includes a fluorine-containing modulator.

Discovery of Complex Binding and Reaction Mechanisms from Ternary Gases in Rare Earth Metal-Organic Frameworks.

Understanding the selectivity of metal-organic frameworks (MOFs) to complex acid gas streams will enable their use in industrial applications. Herein, ab initio molecular dynamic simulations (AIMD) were used to simulate ternary gas mixtures (H O-NO -SO ) in rare earth 2,5-dihydroxyterephthalic acid (RE-DOBDC) MOFs. Stronger H O gas-metal binding arose from thermal vibrations in the MOF sterically hindering access of SO and NO molecules to the metal sites.

Determination of Speciation and Local Structure of NaCl-SrCl and LiF-ZrF Molten Salts.

Understanding the local environment of the metal atoms in salt melts is important for modeling the properties of melts and predicting their behavior and thus helping enable the development of technologies such as molten salt reactors and solar-thermal power systems and new approaches to recycling rare-earth metals. Toward that end, we have developed an approach for measuring the coordination of metals in molten salt coupling X-ray absorption spectroscopy (XAS) and Raman spectroscopy. Our approach was demonstrated for two salt mixtures (1.

Correlational Approach to Predict the Enthalpy of Mixing for Chloride Melt Systems.

A methodology to estimate the heat of mixing (Δ ) for salt liquids in unexplored AkCl-AnCl /LnCl (Ak = alkali, An = actinide, Ln = lanthanide) systems is developed. It improves upon previous empirical approaches by eliminating the need for arbitrarily choosing the required composition at maximum short-range ordering, the minimum Δ prior to performing the estimation, which avoids the intrinsic ambiguity of that approach. This semiempirical method has computationally reproduced the behavior of NaCl-UCl and KCl-UCl systems, providing Δ values that agree well with the reported measurements within a propagated two standard deviations (2σ).

Investigation of Metastable Low Dimensional Halometallates.

The solvothermal synthesis, structure determination and optical characterization of five new metastable halometallate compounds, [1,10-phenH][PbI] (), [1,10-phenH][PbI]·(HO) (), [1,10-phen][PbI] (), [1,10-phen][PbBr] () and [1,10-phenH][SbI]·(HO) (), are reported. The materials exhibit rich structural diversity and exhibit structural dimensionalities that include 1D chains, 2D sheets and 3D frameworks. The optical spectra of these materials are consistent with bandgaps ranging from 2.

The Hallux Metatarsophalangeal Capsule: An Anatomic Study With Respect to Percutaneous Hallux Valgus Correction.

Background: Minimally invasive surgery for the treatment of hallux valgus deformities has become increasingly popular. Knowledge of the location of the hallux metatarsophalangeal (MTP) proximal capsular origin on the metatarsal neck is essential for surgeons in planning and executing extracapsular corrective osteotomies. A cadaveric study was undertaken to further study this anatomic relationship.

Current surgical practice for septic arthritis of the knee in the United States.

For septic arthritis of the knee, we attempted to determine: the preferred surgical technique in the United-States (US), the believed "gold-standard" treatment among others. This was performed by an electronic-survey distributed to all academic orthopaedic faculty throughout the US. The preferred method was arthroscopy (69.

Interplay between London Dispersion, Hubbard , and Metastable States for Uranium Compounds.

High-throughput computational studies of lanthanide and actinide chemistry with density-functional theory are complicated by the need for Hubbard corrections, which ensure localization of the f-electrons, but can lead to metastable states. This work presents a systematic investigation of the effects of both Hubbard value and metastable states on the predicted structural and thermodynamic properties of four uranium compounds central to the field of nuclear fuels: UC, UN, UO, and UCl. We also assess the impact of the exchange-hole dipole moment (XDM) dispersion correction on the computed properties.

Flux Growth of Uranyl Titanates: Rare Examples of TiO Tetrahedra and TiO Square Bipyramids.

Single crystals of four new uranyl titanates have been grown via the flux growth method using mixed alkali halide fluxes. Na(UO)(TiO)O and KNa(UO)(TiO)O have analogous layered structures containing titanyl (TiO) units coordinated into TiO square pyramids. Cs(UO)TiO crystallizes in the CsUSiO structure type and is a rare example of a structure containing TiO tetrahedra.

Targeting complex plutonium oxides by combining crystal chemical reasoning with density-functional theory calculations: the quaternary plutonium oxide CsPuSiO.

The stability of the novel Pu(iv) silicate, Cs2PuSi6O15, was predicted from a combination of crystal chemical reasoning and DFT calculations and confirmed by its synthesis via flux crystal growth. Formation enthalpies of the A2MSi6O15 (A = Na-Cs; M = Ce, Th, U-Pu) compositional family were calculated and indicated the Cs-containing phases should preferentially form in the Cmc21 structure type, consistent with previous experimental findings and the novel phases produced in this work, Cs2PuSi6O15 and Cs2CeSi6O15. The formation enthalpies of a second set of compositions, A2MSi3O9, were also calculated and a comparison between the two compositional families correctly predicted A2MSi6O15 to be on average more stable than A2MSi3O9.

Effect of Training Modules on Hip Fracture Surgical Skills Simulation Performance: Early Validation of the AAOS/OTA Simulator.

Background: A preliminary validation study on a computer-based force-feedback simulation platform demonstrated the ability of the simulator to distinguish between novice and experienced users during a simulated hip-pinning procedure. The purpose of the present study was to further investigate whether the simulator and associated training modules are effective for improving user performance during simulated percutaneous hip-pinning procedures.

Methods: With institutional review board approval, 24 medical students at our institution were randomized to "Trained" and "Untrained" groups.

Construct Validation of a Novel Hip Fracture Fixation Surgical Simulator.

Introduction: A surgical simulation platform has been developed to simulate fluoroscopically guided surgical procedures by coupling computer modeling with a force-feedback device as a training tool for orthopaedic resident education in an effort to enhance motor skills and potentially minimize radiation exposure. The objective of this study was to determine whether the simulation platform can distinguish between novice and experienced practitioners of percutaneous pinning of hip fractures.

Methods: Medical students, orthopaedic residents, orthopaedic trauma fellows, and attending surgeons completed in situ hip-pinning simulation that recorded performance measures related to surgical accuracy, time, and use of fluoroscopy.

A Web-Based Atlas Combining MRI and Histology of the Squirrel Monkey Brain.

The squirrel monkey (Saimiri sciureus) is a commonly-used surrogate for humans in biomedical research. In the neuroimaging community, MRI and histological atlases serve as valuable resources for anatomical, physiological, and functional studies of the brain; however, no digital MRI/histology atlas is currently available for the squirrel monkey. This paper describes the construction of a web-based multi-modal atlas of the squirrel monkey brain.

Incarceration of the Posterior Tibial Tendon in an Isolated Comminuted Medial Malleolus Fracture.

Isolated medial malleolar fractures are a less common presentation of an ankle fracture. Treatment is not universally accepted, although many have agreed that any displacement warrants anatomic reduction and fixation. We present a case of an isolated, comminuted medial malleolar fracture that was displaced secondary to entrapment of the posterior tibial tendon between the fracture fragments requiring surgical intervention.

Methicillin-Resistant Staphylococcus aureus Infection Is a Risk Factor for Unplanned Return to the Operating Room in the Surgical Treatment of a Septic Knee.

Surgical irrigation and debridement is the mainstay of treatment after the diagnosis of a septic knee. Arthroscopic treatment has been validated as a treatment option, but there is limited literature comparing it to an open arthrotomy regarding risk factors for failing single-stage surgical treatment. A retrospective review of surgically treated native adult septic knees at one urban tertiary care center was conducted to evaluate rates of unplanned return to the operating room (OR) following both arthroscopic and open treatment of an adult septic knee.