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.

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.

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.

Seeing your life story as a Hero's Journey increases meaning in life.

Meaning in life is tied to the stories people tell about their lives. We explore whether one timeless story-the Hero's Journey-might make people's lives feel more meaningful. This enduring story appears across history and cultures and provides a template for ancient myths (e.

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.

Performance pressure amplifies the effect of evening detachment on next-morning shame: Downstream consequences for workday cheating behavior.

Detaching from work is beneficial because it helps employees recover from work demands. However, we argue that detachment may be a trade-off for employees in organizations with higher (vs. lower) levels of performance pressure.

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.

Parents' awareness and perceptions of the Change4Life 100 cal snack campaign, and perceived impact on snack consumption by children under 11 years.

Background: Childhood obesity is a pertinent public health problem in the UK. Consumption of free sugars has been associated with the development of obesity. In 2018, the Change 4Life (C4L) 100 cal snack campaign was launched with the slogan '100 calorie snacks, two a day max', aiming to encourage parents to choose lower sugar, fat and calorie snacks for their children.

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.

Improving Vitamin D Intake in Young Children-Can an Infographic Help Parents and Carers Understand the Recommendations?

Vitamin D deficiency is a serious public health issue in the United Kingdom. Those at increased risk, such as pregnant women, children under 5 years and people from ethnic groups with dark skin, are not all achieving their recommended vitamin D. Effective vitamin D education is warranted.

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.

Effective implementation of primary school-based healthy lifestyle programmes: a qualitative study of views of school staff.

Background: Primary schools are valuable settings to implement healthy lifestyle (healthy eating and physical activity) interventions, aimed at targeting childhood obesity. This study explored school staff perceptions of factors that hinder and enable successful implementation and sustainability of healthy lifestyle interventions in primary schools. Qualitative data was pooled and analysed from two evaluations carried out in primary schools in North England: a feasibility study of a nutrition and physical activity educational programme (PhunkyFoods Feasibility Study), and an evaluation of a healthy eating programme (The Food Dudes Evaluation).

We still don't know that our children need vitamin D daily: a study of parents' understanding of vitamin D requirements in children aged 0-2 years.

Background: Vitamin D deficiency has been highlighted as a serious public health problem in the United Kingdom. One in four toddlers are not achieving the recommended intake for their healthy development. This study uses quantitative and qualitative methods to explore parents' perceptions, awareness and behaviours around vitamin D intake, and the acceptability of and factors affecting purchasing of food and drink fortified with Vitamin D in children aged 0-2 years old.

"Forward flow": A new measure to quantify free thought and predict creativity.

When the human mind is free to roam, its subjective experience is characterized by a continuously evolving stream of thought. Although there is a technique that captures people's streams of free thought-free association-its utility for scientific research is undermined by two open questions: (a) How can streams of thought be quantified? (b) Do such streams predict psychological phenomena? We resolve the first issue-quantification-by presenting a new metric, "forward flow," that uses latent semantic analysis to capture the semantic evolution of thoughts over time (i.e.

Correction: Comparison of school day eating behaviours of 8-11 year old children from Adelaide, South Australia, and London, England: Child eating behaviours in South Australia and England.

[This corrects the article on p. 394 in vol. 5.

Comparison of school day eating behaviours of 8-11 year old children from Adelaide, South Australia, and London, England: Child eating behaviours in South Australia and England.

Objective: School food intake makes a considerable contribution to children's overall diet, especially fruit and vegetable intake. Comparing differing school food provision systems can provide novel insights for intervention and improved nutrition policy. This study compared school day food in children from Australia and England.

Measures of low food variety and poor dietary quality in a cross-sectional study of London school children.

Background/objectives: The use of simple screening tools to measure nutritional adequacy in a public health context in developed countries are currently lacking. We explore the relationship between food variety and nutrient intake of London school children using a simple tool with potential use for screening for inadequate diets.

Subjects/methods: A cross-sectional survey was carried out in 2010.

Surface Adsorption from the Exchange-Hole Dipole Moment Dispersion Model.

The accurate calculation of intermolecular interaction energies with density functional theory requires methods that include a treatment of long-range, nonlocal dispersion correlation. In this work, we explore the ability of the exchange-hole dipole moment (XDM) dispersion correction to model molecular surface adsorption. Adsorption energies are calculated for six small aromatic molecules (benzene, furan, pyridine, thiophene, thiophenol, and benzenediamine) and the four DNA nucleobases (adenine, thymine, guanine, and cytosine) on the (111) surfaces of the three coinage metals (copper, silver, and gold).