Investigation of the phase behaviour of the 1: 1 adduct of mesitylene and hexafluorobenzene

Variable temperature X-ray diffraction has been used to probe the structure and dynamics of the solid adducts of 1,3,5-trimethylbenzene (mesitylene) and hexafluorobenzene. PXRD patterns and DSC traces of near equimolar mixtures reveal two solid-state phase-transitions at 179.2 K and 111.0 K. The crystal structures of all three solid phases of this material have been solved by SXD. In contrast to previous studies on the adduct benzene–hexafluorobenzene, there is pairing of the mesitylene and hexafluorobenzene molecules in all three phases, each consisting of close-packed parallel columns of alternating C6H3(CH3)3 and C6F6 molecules packed face to face in a staggered conformation. Differences in structure between the phases illustrate the subtle interplay of quadrupole versus bond-dipole electrostatic interactions

Improving the scalability of parallel N-body applications with an event driven constraint based execution model

The scalability and efficiency of graph applications are significantly constrained by conventional systems and their supporting programming models. Technology trends like multicore, manycore, and heterogeneous system architectures are introducing further challenges and possibilities for emerging application domains such as graph applications. This paper explores the space of effective parallel execution of ephemeral graphs that are dynamically generated using the Barnes-Hut algorithm to exemplify dynamic workloads. The workloads are expressed using the semantics of an Exascale computing execution model called ParalleX. For comparison, results using conventional execution model semantics are also presented. We find improved load balancing during runtime and automatic parallelism discovery improving efficiency using the advanced semantics for Exascale computing.Comment: 11 figure

Addressing a system failure to diagnose COPD and asthma

To provide high-quality guideline-based care for patients with asthma or chronic obstructive pulmonary disease (COPD) we must first establish the correct diagnosis. The National Asthma and COPD Audit Programme (NACAP) has highlighted an important issue across England, Scotland, and Wales that potentially undermines care for many people with airways disease

An effective and novel pore sealing agent to enhance the corrosion resistance performance of Al coating in artificial ocean water

Supplementary information is available online at: https://static-content.springer.com/esm/art%3A10.1038%2Fsrep41935/MediaObjects/41598_2017_BFsrep41935_MOESM25_ESM.pdf .Copyright © The Author(s) 2017. A new technique was accepted to fill the porosity of Al coating applied by arc thermal spray process to enhance corrosion resistance performance in artificial ocean water. The porosity is the inherent property of arc thermal spray coating process. In this study, applied coating was treated with different concentrations of ammonium phosphate mono basic (NH 4 H 2 PO 4: AP) solution thereafter dried at room temperature and kept in humidity chamber for 7d to deposit uniform film. The corrosion resistance of Al coating and treated samples have been evaluated using electrochemical impedance spectroscopy (EIS) and potentiodynamic techniques with exposure periods in artificial ocean water. Electrochemical techniques, X-ray diffraction (XRD), Raman spectroscopy, atomic force microscopy (AFM) and field emission-scanning electron microscopy (FE-SEM) indicated that phosphate ion would have been retarding corrosion of Al coating effectively. The formation of AHP (Ammonium Aluminum Hydrogen Phosphate Hydrate: NH 4) 3 Al 5 H 6 (PO 4) 8.18H 2 O) on Al coating surface after treatment with AP is nano sized, crystalline and uniformly deposited but after exposure them in artificial ocean water, they form AHPH (Aluminum hydroxide phosphate hydrate Al 3 (PO 4) 2 (OH) 3 (H 2 O) 5) that is very protective, adherent, uniform and plate like morphology of corrosion products. The AHPH is sparingly soluble and adherent to surface and imparted improved corrosion resistance.National Research Foundation (NRF) of Korea funded by the Ministry of Science, ICT and Future Planning (No. 2015R1A5A1037548)

Novel ZnO nanorod films by chemical solution deposition for planar device applications

: Smooth and continuous ZnO films consisting of densely packed ZnO nanorods (NRs) were synthesized using hydro-thermo-chemical solution deposition method which can be used for electronic device fabrication. These devices would have the novelty of high performance benefiting from the unique properties of the nanomaterials and can be fabricated on these films using conventional low cost planar process, as they have very smooth surfaces. Photoluminescence measurements showed that the nanorod films have much stronger band-to-band emissions than those from discrete ZnO NRs, hence have the potential for the development of ZnO light emission diodes and lasers etc. The nanorod films have been used to fabricate large area planar surface acoustic wave devices by conventional photolithography and demonstrated two well-defined resonant peaks and their potential for large area device applications. The chemical solution deposition method is a simple, reproducible, scalable and economic method. These nanorod films are suitable for large scale production and synthesis on cost-effective substrates promising for various fields such as sensing systems, renewable energy and optoelectronic applications

Fermentation process for alcoholic beverage production from mahua (Madhuca indica J. F. Mel.) flowers

Mahua flowers are rich in sugar (68-72%), in addition to a number of minerals and one of the most important raw materials for alcohol fermentation. The present investigation was for the development of a non-distilled alcoholic beverage from Mahua flowers. Eighteen (18) treatment combinations consisting of two temperatures (25 and 30°C), three pH (4.0, 4.5 and 5.0) and three period of fermentation (7, 14 and 21 days) were used in the fermentation conditions. The maximum yield of ethanol (9.51 %) occurred at 25°C with pH 4.5 after 14 days of  fermentation of Mahua flower juice. The fermented non-distilled alcoholic beverage contained total sugar (8.83 mg/ml), reducing sugar (0.82 mg/ml), total soluble solids (6.37°Brix) titrable acidity (0.65 %), and volatile acidity (0.086%). Methanol was not detected at any stage of fermentation. The developed fermented alcoholic beverage had characteristic flavor and aroma of Mahua flowers with about 7 to 9% alcohol.Keywords: Madhuca indica, ethanol, reducing sugar, fermentation.African Journal of Biotechnology Vol. 12(39), pp. 5771-577

Preventing strokes in people with atrial fibrillation by improving ABC.

Nationally, anticoagulation for atrial fibrillation (AF) is improving but remains characterised by marked provider variation. Uncontrolled blood pressure and coronary artery disease further increase cardiovascular risk. Redbridge Clinical Commissioning Group (CCG) and local National Health Service (NHS) hospital trusts supported a programme to improve anticoagulation, blood pressure and cholesterol management; the ABC of AF improvement. The programme was delivered by a clinical pharmacist in 43 general practices, who used Active Patient Link (APL-AF) software to identify and electronically review the records of AF patients potentially suitable for anticoagulation. These patients were invited for a general practitioner (GP)-pharmacist consultation with initiation of anticoagulation where appropriate. Blood pressure and lipid treatment were also optimised. The university-based Clinical Effectiveness Group (CEG) provided software support using standard data entry templates from which the APL-AF software was enabled. This identified suitable patients (eg, on aspirin monotherapy, no treatment or inappropriate dual treatments) for clinical and treatment review. It also reported real-time overall practice performance. Additionally, GP education on direct oral anticoagulant initiation in general practices, use of software and performance reviews, took place for all practices in Redbridge. A weekly multidisciplinary team (MDT) video conference discussed complex patients with a cardiologist, haematologist, GP with specialist interest in cardiology, GP coordinator and clinical pharmacist. This enabled sharing of patient records between GPs and hospital specialists with improved communication and learning. Over 1 year 2016-2017, anticoagulation in eligible AF patients (CHA2DS2-VASc≥2) increased significantly by 6.3% from 77.0% to 83.3% (p<0.0001), in comparison to 2.8% average improvement in England. Exception reporting was also significantly reduced from 10.0% to 5.8%; a reduction of 4.2% in comparison to a reduction in England of 1.5%. Use of antiplatelet monotherapy was approximately halved, from 12.3% to 6.4%. These methods are being scaled locally in other London CCGs and are potentially scalable nationally, specifically targeting the poorer performing CCGs

Metrics to evaluate research performance in academic institutions: A critique of ERA 2010 as applied in forestry and the indirect H2 index as a possible alternative

Excellence for Research in Australia (ERA) is an attempt by the Australian Research Council to rate Australian universities on a 5-point scale within 180 Fields of Research using metrics and peer evaluation by an evaluation committee. Some of the bibliometric data contributing to this ranking suffer statistical issues associated with skewed distributions. Other data are standardised year-by-year, placing undue emphasis on the most recent publications which may not yet have reliable citation patterns. The bibliometric data offered to the evaluation committees is extensive, but lacks effective syntheses such as the h-index and its variants. The indirect H2 index is objective, can be computed automatically and efficiently, is resistant to manipulation, and a good indicator of impact to assist the ERA evaluation committees and to similar evaluations internationally.Comment: 19 pages, 6 figures, 7 tables, appendice

An Interaction Potential to Study the Thermal Structure Evolution of a Thermoelectric Material: Β‐cu2se

An interaction potential model has been developed, for the first time, for β‐Cu2Se using the ab initio derived data. The structure and elastic constants of β‐Cu2Se using the derived force‐field are within a few percent of DFT derived structure and elastic constants and reported experimental structure. The derived force‐field also shows remarkable ability to reproduce temperature dependent behavior of the specific heat and thermal expansion coefficient. The thermal structure evolution of the β‐Cu2Se is studied by performing the molecular dynamic simulations using the derived force‐field. The simulation results demonstrate that the Cu ions moves around the equilibrium lattice position within the temperature range of 500–800 K. However, at a temperature > 800 K, the Cu ions starts diffusing within the material, while the Se ions remains in their lattice position. The evaluated thermodynamic properties such as free energy and excess entropy, show that the increased Cu–Se interaction with the temperature makes the system more thermodynamically stable. © 2017 Wiley Periodicals, Inc

Vertically aligned smooth ZnO nanorod films for planar device applications

The growth of smooth and continuous zinc oxide (ZnO) films, consisting of densely packed vertical ZnO nanorods with (002) crystal orientation on silicon substrates has been achieved in this work by a chemical solution method. These ZnO thin films have much stronger photoluminescence emission than those from discrete ZnO nanorods under identical conditions. Large area surface acoustic wave devices were fabricated on these films using conventional photolithography, and exhibited two well-defined resonant modes of the Sezawa wave and its harmonic mode