Miracle-dz/UniFAR-FTUs huggingface dataset:
Analysis of clinical data to examine utility of quality statements for the management of patients with hip fractures in the emergency department

s were reviewed and articles that did not meet eligibility criteria were removed. The citations were then exported to a reference manager program (Zotero), citations were merged and duplicates removed, resulting in 26 articles for full-text review. Articles were further assessed for eligibility and their reference lists were reviewed to identify other relevant publications. I retained five articles for synthesis in this literature review. Reasons for excluding articles were grouped into three categories: generic quality measures (n = 5; e.g., examined general quality measures for various conditions); quality measures that did not pertain to the ED (n = 9); and no examination of quality measures (n = 4; examined the implementation of a specific program or intervention). In addition, a scoping review that was completed by Canadian researchers and focused on the identification of current or potential quality measures for the management of patients with hip fractures throughout the healthcare continuum (Pitzul et al., 2017) was excluded because the authors grouped all acute care services together and did not specify any quality measures for the ED. The five retained articles summarized retrospective studies and were published between 2009 and 2016 (see Appendix C). Interestingly, only one study exclusively examined the use of quality measures for patients with hip fractures in the ED (Taylor & Nairn, 2012). The retrieved studies provide an international perspective on this practice issue as the findings are based on data from the UK, Canada, Denmark, and the USA. Of the included studies, three involved nationally representative samples (Kristiansen, Kristensen, Nørgård, Mainz, &
A new model and measurement technique for dynamic shrinkage during photopolymerization of multi-acrylates

A novel experimental set-up has been devised to measure simultaneously, in real time, the conversion and shrinkage of multi-acrylates during photopolymerization. The data show that the current practice of assigning the excess volume entirely as excess free volume is inappropriate as this leads to an increasing fractional free volume with conversion. We propose to partition the excess volume into free and occupied volume components. The new model produces satisfactory results.
Morphologically selective synthesis of nanocrystalline aluminum nitride

Aluminum and N2 (1 atm) react at 900−1100 °C to give AlN. The nitridation reactions of four types of starting Al powdernanocrystalline Al of two different origins, and 2-μm and 20-μm Al powders from commercial sourcesare described. All four Al powders undergo nitridation to give nanocrystalline AlN; however, only the nanocrystalline Al powders undergo nitridation completely at the low temperatures employed. The nanocrystalline AlN is formed in two principal particle morphologies, equiaxed nanoparticles and nanowhiskers, in relative amounts that depend on reaction conditions and the starting Al powders. Added AlCl3 is an effective promoter of nanowhisker growth. Either AlN morphology may be produced with a high selectivity; samples containing predominately equiaxed nanoparticles or predominately nanowhiskers are readily obtained. The results are consistent with a growth model in which the equiaxed AlN nanoparticles precipitate at or near the surface of coalesced liquid Al droplets, whereas the AlN nanowhis.
Crystallization Studies and Properties of (Ba1−xSrx)TiO3in Borosilicate Glass

Ferroelectric glass–ceramics, with a basic composition (1−y)(Ba0.70Sr0.30)TiO3-y(B2O3–x SiO2), were synthesized by sol–gel method. The major crystalline phase is the perovskite, which exhibited volume nucleation. The formation of the crystalline phase, particle size, morphology, kinetics, and mechanism of crystallization of the ferroelectric in the glass matrix have been studied using differential thermal analysis, X-ray diffraction, and scanning electron microscopy. The kinetic parameters characterizing the crystallization of the perovskite phase have been determined using an Arrhenius model. The effect of glass content on the dielectric properties and the influence of the glass composition on the crystallization have also been investigated and are reported.
Aluminium Implantation in Germanium: Uphill Diffusion, Electrical Activation, and Trapping

This study presents a broad investigation on Al implantation in crystalline Ge. We show that up to 600 °C, Al does not diffuse and a remarkable electrical activation of ∼1×1020 cm-3 is obtained. For higher annealing temperatures (from 700 to 800 °C), Al shows a significant diffusion towards the bulk and an unexpected uphill diffusion next to the surface, where the electrical measurements indicate a significant deactivation of Al. Both these latter observations are explained in terms of the presence of dopant traps, able to make immobile and electrically inactive the dopant next to the surface.
High photovoltage achieved in low band gap polymer solar cells by adjusting energy levels of a polymer with the LUMOs of fullerene derivatives

Solar cells based on organic molecules or conjugated polymers attract great attention due to their unique advantages, such as low cost, and their use in flexible devices, but are still limited by their low power conversion efficiency (PCE). To improve the PCEs of polymer solar cells, more efforts have been made to increase short-circuit current (Jsc) or open-circuit voltage (Voc). However, the trade-off between Jsc and Voc in bulk heterojunctions solar cells makes it tricky to find a polymer with a low band gap to efficiently absorb photons in the visible and near infrared region of the solar spectrum, while maintaining a high Voc in solar cells. Therefore, it is crucial to design and synthesize polymers with energy levels aligning with the LUMO (lowest unoccupied molecular orbital) of an electron acceptor to minimize the LUMO level difference between donor and acceptor to keep enough driving force for charge generation, thereby maximizing photovoltage in solar cells. Here a novel copolymer APFO-Green 9 was synthesized. Polymer solar cells based on APFO-Green 9 blended with a derivative of fullerene demonstrate high photovoltage by fine tuning the HOMO and LUMO level of APFO-Green 9. Solar cells based on APFO-Green 9 and [6,6]-phenyl-C71-butyric acid methyl ester ([70]PCBM) present a photoresponse extended to 900 nm with Jsc of 6.5 mA cm−2, Voc of 0.81 V and PCE of 2.3% under illumination of AM1.5 with light intensity of 100 mW cm−2. As a low band gap polymer with a Voc bigger than 0.8 V, APFO-Green 9 is a promising candidate for efficient tandem solar cells.
Biological treatment of saline wastewaters in an aerobic sequencing batch reactor

The influence of different chloride salts (sodium, potassium, calcium, and magnesium) on wastewater biological treatment performance was investigated. Long term assays were performed (30 d) operating aerobic sequencing batch reactors (SBR) with a 24‐h cycle (23 h of reaction and 1 h of sedimentation and draining). Salt content varied from 0% to 6% m/v in different assays, using synthetic wastewater with an average COD of 2000 mg/L. When salt was not added to the SBR influent chemical oxygen demand (COD) removal averaged 95%. For the higher salt concentration tested (6% m/v), average COD removals for NaCl, KCl, MgCl2, and CaCl2 were, respectively, 81%, 92%, 83%, and 87%. Some deleterious effects caused by salt concentration were: reduction of protozoa population and diversity and sludge deflocculation, which caused a rise on the SBR effluent turbidity. © 2011 American Institute of Chemical Engineers Environ Prog, 32: 198‐205, 2013
Optimization of Method of Preparing Carbon Paste Electrode

This work propose the optimization of the preparation of electrode based on carbon paste for application to amperometric biosensor. The method is based on the experimental design of mixtures with graphite, polyaniline and epoxy resin acting as system components and electrical conductivity as the response variable. The materials were characterized such as how much its electrical conductivity and cyclic voltammetry. The experimental design indicated that the higher conductivity electrode was made of a mixture of 25% (wt/wt) graphite 40% (wt/wt) of polyaniline and 35% (wt/wt) of epoxy resin. The addition of silver nanoparticles favoring an increase of 9.71% in the anodic peak current and 32.35% in the peak cathode current.
Extraction ofPhenolic Compounds and Tannins from PistachioBy-products

Aims: This study was conducted to evaluate the effects of solvent, particle size, extraction time and ultrasound on extraction and quantification of phenolic compounds and tannins in pistachio by-products (PB). Study Design:Factorial experiment based on completely randomized design. Methodology: Four solvents (70% aqueous acetone, 50% aqueous methanol, 50% aqueous ethanol and water), 2 particle size (fine vs coarse) and 2 extraction time (12 vs 24h) were used to extract total phenolics (TP) and total tannin s (TT) of sun-dried PB (93.5% DM). Folin-Ciocalteu reagent was used for phenolics and tannins quantification. In another experiment, ultrasound-assisted extraction (UAE) was used for extracting phenolic compounds. Results:Using 70% aqueous acetone resulted in more TP (13.86% of DM as tannic acid equivalent) compared to other solvents and the lowest TP content was measured in water (9.87%). Particle size and time of extraction had no effect on TP content. Tannin concentration were not affected by particle s
Sampling bias caused by materials used to monitor halocarbons in groundwater

Laboratory experiments were conducted to evaluate materials used in the construction of groundwater monitors for their potential to cause sampling bias. Ten materials were exposed to low concentrations of five halogenated hydrocarbons in water for periods up to 5 weeks. Borosilicate glass was the only material that did not diminish the halocarbon concentrations. Three metals, including stainless steel, apparently transformed the compounds. Six synthetic polymers, including poly(tetrafluoroethylene) and rigid poly(vinyl chloride), absorbed the compounds. The sorption rates were dependent on flexibility of the polymer, water solubility of the compound, solution volume to polymer surface area ratio, and temperature. A diffusion model explained the concentration histories of solutions exposed to polymers, and the diffusion mechanism was confirmed by direct measurement of halocarbon distributions in several of the polymers. The experimentally determined diffusivities and polymer-water partition coefficients for polyethylene were consistent with literature data.
Molecular dynamics simulation of metal oxide growth on SiTiO3

Thin films of strontium titanate, as well as its component oxides, have been of great interest due to their applicability in electronic devices. In this manuscript we review our work to examine the growth of SrO, TiO2, and SrTiO3 (STO) thin films on STO using classical molecular dynamics simulations. In particular, the simulations considered the deposition of SrO and TiO2 molecules and stoichiometric STO clusters at incident energies of 0.1, 0.5, and 1.0 eV/atom onto the (001) surface of STO. The role of surface termination layer (SrO vs. TiO2), incident energy, and incident particle size and deposition scheme in the case of STO deposition were investigated. In the case of SrO deposition, smooth, ordered films were produced at all incident energies considered and for both surface terminations. In contrast, in the case of TiO2 deposition, three-dimensional islands were formed under all the conditions considered. The predicted growth modes were shown to be a consequence of the mobility and interaction energy of each particle (SrO or TiO2) with the surface. In the case of STO thin film growth three deposition schemes were explored: (i) alternating particle deposition (APD), (ii) alternating monolayer deposition (AMD), and (iii) cluster deposition. For APD, a beam of alternating SrO and TiO2 molecules was deposited on the (001) surface of STO with incident kinetic energies of 0.1, 0.5 or 1.0 eV/atom. AMD consisted of the deposition of alternating monolayers of pure SrO and TiO2, where both had incident energies of 1.0 eV/atom. SrTiO3 cluster deposition considered the deposition of 1, 2, 3, and 4-unit STO stoichiometric clusters with incident energies of 1.0 eV/atom. On the whole, some layer-by-layer growth was predicted to occur on both SrO- and TiO2-terminated STO for each type of deposition scheme.
Error analyses in volumetric method for measuring methane and CO2 adsorption on coal

CO2 sequestration in deep coal seams with enhanced coalbed methane recovery (CO2-ECBM) is emerging as a promising option to stabilise CO2 concentration in the atmosphere. Volumetric method for measuring methane and CO2 adsorption on coal can generate the critical information of the coalbed methane recovery and CO2 storage amount of the target coal seams. In this work, the potential sources of error involved in volumetric method including sample mass, volume, temperature, pressure and compressibility factor and their impact on the measured methane and CO2 adsorption amount have been studied using the law of error propagation. Feasible measures to improve the measured precision based on ‘fixed volume’ method have also been put forward.
An Atlas of QEDR Flame Structures

Abstract Using laser imaging data for scalar mixing collected in turbulent jets of Frcon-12, synthesised images are generated for reaction zones in turbulent nonpremixed flames of hydrogen at high Damkholer numbers. It is found that Quasi-Equilibrium Distributed Reaction (QEDR) zones govern the flame structure except in the first fifteen jet diameters near the nozzle. This structure which otherwise follows the stoichiometric mixture fraction ξ, tends towards that of scalar dissipation, χas the distance from the nozzle increases.
Kinetic energy functionals from the Kohn–Sham potential

A method which uses Kohn–Sham solutions to assess and improve the accuracy of kinetic energy functionals in density functional theory (DFT) calculations is introduced. To within a constant μ, the “kinetic potential ” corresponding to the functional derivative of the non-interacting kinetic energy may be obtained directly from the orbitals and eigenvalues of a Kohn–Sham DFT calculation. This Kohn–Sham kinetic potential has been examined for several small molecules. We demonstrate, with simple functional forms, a semi-empirical parametrization to minimize the difference between the functional derivative (of a trial functional) and the Kohn–Sham kinetic potential. The form of our functionals includes ρ5/3 times an enhancement factor comprised of simple, dimensionless variables of the density, the gradient of the density, and the laplacian of the density. The difference between the uniform electron gas and the Kohn–Sham kinetic potential is vastly reduced in our functionals by the fitting of this enhancement factor. However, tests of the resulting functionals with variationally optimized densities yield discouraging results. Nonetheless, the Kohn–Sham kinetic potential remains a ready tool for the parametrization of future kinetic energy functionals, as well as a helpful test of the accuracy of their functional derivatives.
Experimental benchmarks and phenomenology of interatomic forces: open-shell and electronic anisotropy effects

This article gives a perspective view of some representative experimental information available on interatomic forces. They play a role in gaseous properties, but modern quantitative information comes from spectroscopy and molecular beam scattering. This latter technique is emphasized here: recent experimental results and consideration of physical properties of interacting species is complementary to progress of modelling based on ab initio or other quantum chemical calculations. Interactions involved in closed-shell–closed-shell species are considered to be typical of the so-called ‘non-covalent’ forces, although additional effects of a ‘chemical’ nature are demonstrated to be non-negligible in some cases. The partition of the interaction into van der Waals (repulsion + dispersion) and possibly electrostatic and/or induction components is analysed. Interactions involving open-shell species offer a most interesting phenomenology, because electronic anisotropy often provides further strength to the bonds, which are usually weaker than ordinary chemical bonds. Again, the focus is on experimental information (especially on scattering of magnetically analysed open-shell atoms) and on the understanding that comes from the analysis of the ample phenomenology accumulated. Additional terms such as those of specific ‘covalent’ nature appear in the partition of the interaction, besides those already mentioned. The extension of this approach for describing molecular anisotropies is also outlined. Contents PAGE 1. Introduction 1.1. Motivation and dedication 166 1.2. Scope and outline of the paper 167 2. Isotropic interactions and van der Waals forces 168 2.1. 2 S +1S atom– 168 2.2. Combination rules and correlation formulas 170 2.3. 2 S +1S Ion– 172 3. Anisotropic interactions and open-shell effects 175 3.1. General 175 3.2. 2 S +1P atom– 176 3.3. Charge transfer and bond stabilization 178 3.4. 2 S +1P ion – 180 3.5. Dications 181 4. Final remarks 182 4.1. Towards atom–molecule and molecule–molecule interactions 182 4.2. Prospects for future work 184 4.3. From van der Waals interactions to chemical bonds 185 Acknowledgements 185 Appendix A– Interatomic forces by molecular beam scattering 185 Appendix B–Basic contributions to the interatomic interactions and their dependence on physical properties f involved species 188 Appendix C–Electronic anisotropy and orbital alignment 192 References
Determination of Particle Size in Powders by Scatter Correction in Diffuse Near-Infrared Reflectance

Diffuse near-infrared reflectance spectroscopy has traditionally been an analytical technique for determining chemical compositions in a sample. We will, in this paper, focus on light scattering effects and their ability to determine the mean particle sizes of powders. The reflectance data of NaCl, broken glass, and sorbitol powders are linearized and submitted to the Multiplicative Scatter Correction (MSC), and the ensuing parameters are used in subsequent multivariate calibrations. The results indicate that particle size can, to a large degree, be determined from NIR reflectance data for a given type of powder. Up to 99% of the partical size variance was explained by the regression.
Surface modification of ethylene‐co‐acrylic acid copolymer films: Addition of amide groups by covalently bonded amino acid intermediates

Amide groups were anchored covalently on the surface of ethylene-co-acrylic acid (EAA) copolymer film by surface grafting of amino acid intermediates. The process consisted of four steps: conversion of carboxylic acid groups on the EAA surface to acid chloride groups, amino acid attachment, conversion of amino acid carboxyl groups to acid chloride groups, and amidation. All steps were carried out at room temperature. ATR-FTIR spectroscopy was used to characterize the film after each step and to measure the kinetics of amino acid attachment. Three amino acids were studied: 12-aminododecanoic acid (12-ADDA), 5-aminophthalic acid (5-APA), and L-aspartic acid (AA). The longer-chain 12-ADDA compound was selected for its chemical similarity to migratory fatty amides that are commonly used to alter the frictional behavior of polyolefin films. The 5-APA and AA compounds were selected because each has two carboxylic acid groups that can be converted to amide groups. After amidation, the modified EAA films were characterized by static water contact angle measurements and scanning probe microscopy. Results showed that the 12-ADDA reacted to the surface much faster than the 5-APA or AA. Several steps of aggressive rinsing confirmed that the 12-aminododecanamide was chemically anchored onto the EAA surface. As a result, both hydrophilicity and surface roughness were increased. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 92: 1688–1694, 2004
Magnetically recoverable nanoparticles as efficient catalysts for organic transformations in aqueous medium

Development of magnetic nanoparticles (MNPs) for use as supports and exploration of their applications in aqueous catalysis represent an important branch of green chemistry as they enable environmentally friendly and sustainable catalytic processes. Besides the significant merit of easily recovering magnetic nanoparticles from reaction systems, various strategies through surface modification, grafting and self-assembly offer a broad range of approaches for constructing magnetically recoverable heterogeneous catalysts. In this review, we focus on the green catalytic processes and summarize recent advances in organic transformations catalyzed by magnetically recoverable catalysts (MRCs). This paper is divided into two main parts: the first part provides background information on the general preparation, modifications, and characterization, where the modifications of various magnetic nanoparticles through coating with silica, carbon, metal, or polymer are also presented. The second part provides a basic outline of aqueous catalysis based on water-only or water-and-organic solvent cosolvent systems, in which numerous types of organic transformations are catalyzed by magnetically recoverable catalysts. Lastly, perspectives for further development of magnetically recoverable heterogeneous catalysts in aqueous catalysis are addressed.
Flexible dye sensitized solar cells using TiO2 nanotubes

The growth of TiO2 nanotube arrays on plastic flexible substrates is researched. The approach uses anodization of a titanium thick film for obtaining nanotubes directly on poly(ethylene terephthalate) (PET) and Kapton HN substrate. The morphological features of the tubes can be finely tuned by varying the preparation conditions, and tube morphology affects the functional properties of the nanotube array. Crystallization of the anatase phase in nanotubes on Kapton HN substrate is obtained via post growth annealing. The nanotube arrays have been dye-sensitized using the commercial Ru-based N719 dye. The system was tested as photoanode in a flexible dye sensitized solar cell. Photoconversion efficiency of 3.5% was obtained.
The dipole moment of water. II. Analysis of the vibrational dependence of the dipole moment in terms of a dipole moment function

The electric dipole moment measurements on H2O, presented in the previous paper, are analyzed here. First, centrifugal distortion effects were removed from the observed moments. The rotationless moments were then considered in terms of a dipole moment function for water. The moments were combined with first dipole derivatives to determine second derivatives of the moment with respect to normal coordinates. This procedure indicated inconsistencies between existing first derivatives and the permanent moments, which were attributed to approximations made when the first derivatives were obtained from the infrared intensity data. A combined analysis of the original transition moment data and the permanent moments yielded consistent first and second derivatives, but with less accuracy than the input data. The overall results include: the first accurate determination of the equilibrium value, and vibrational energy dependence, of the dipole moment; new second derivative values; and an increased awareness of the .
Mild, Efficient, and Selective Cleavage of Trityl Ethers with Antimony Trichloride

Abstract Selective detritylation is quite crucial in synthetic chemistry. A mild and efficient procedure for selective hydrolysis of trityl ethers in the presence of other frequently used hydroxy protecting groups: TBDPS, Bz, Bn, Ac and Ts with antimony trichloride was described and 5′‐trityl uridine was detritylated smoothly too.