Miracle-dz/UniFAR-FTUs huggingface dataset:
Distribution of nickel ions among octahedral and tetrahedral sites in NixZn1 –xAl2O4 spinel solid solutions

The cation distribution in NiAl2O4 and in several NixZn1 –xAl2O4 solid solutions with x ranging from 0.05 to 0.90 has been studied by magnetic susceptibility, reflectance spectroscopy, lattice parameter variation and analysis of some X-ray reflections whose intensities are particularly sensitive to variation in the cation positions.The results show that all specimens have a predominantly octahedral site distribution for their nickel ions and there is a small change towards a random distribution when the preparation temperature is increased from 1073 to 1473 K.The X-ray and magnetic results show, moreover, that the fraction, γ, of Ni2+ ions in octahedral sites varies with nickel content for all the temperature series. For samples quenched from 1473 K, NiAl2O4 is 77% inverse, but between x= 1.0 and x= 0.20 the value of γ decreases from 0.77 to 0.64; the fraction of nickel in octahedral sites in the solid solutions is thus lower than in NiAl2O4. This effect is linked to a decrease in ionicity of the crystal going from NiAl2O4 to the Zn-rich aluminates, which causes a decrease of octahedral site-preference energy for Ni2+ ions. Below x= 0.20 there is clear evidence that γ increases and this may be explained in terms of anion–anion repulsion.
Behaviour of refrigerant mixtures with gas/liquid injection

In this paper, the impact of gas/liquid injection on the behaviour of new alternative refrigerant mixtures such as; R‐410A, R‐507, R‐407C, and R‐404A are discussed, analysed and presented. The test results were obtained using an air–source heat pump set up with enhanced surface tubing heat exchanger under various gas/liquid injection ratios. Performance tests were conducted according to the ARI/ASHRAE Standards.
Solidification in heat packs: III. Metallic trigger

The metallic trigger used in commercial heat packs initiates solidification by releasing minute crystals of solid sodium acetate trihydrate into the subcooled solution. These crystals are harbored in submicron cracks on the disk's surface and are released when the disk is flexed. Using scanning electron microscopy, such seed crystals are observed on the surface of a disk after flexing it. Classic nucleation theory is used to investigate the behavior of crystals residing in the cracks on the metallic disk's surface during heating and cooling. Sodium acetate trihydrate crystals are capable of surviving in a 1-nm crack or smaller at regeneration temperatures of the order of 353 K. These seed crystals grow to the mouth of the crack at temperatures below the liquidus, but can only promote solidification of the whole solution surrounding the disk at temperatures below 256 K or when the disk is flexed.
Phytochemical composition and gastroprotective effect of Feijoa sellowiana Berg fruits from Sicily

Objective: To assess the fruit of Feijoa sellowiana Berg var. coolidge and gorgiona, cultured in Sicily, for its gastroprotective effect, in association with performing phytochemical evaluation. Methods: By means of HPLC, vitamin E complex and polyphenol compounds were determined. The gastroprotective effect was investigated on ethanol-induced ulcers in rats, with sucralfate as reference drug. Samples of gastric mucosae, stained by periodic acid-Shiff and haematoxylin/ eosin, were observed by light microscopy. Results: In pulp and peel samples of both varieties of fruit α, β and γ tocopherols were identified, while δ was only in var. coolidge. In whole fruit of two varieties, catechin, eriodictyol, eriocitrin, pyrocatechol, quercetin, rutin, ellagic, gallic and syringic acid were determined. The fruit showed gastroprotective effect (ulcer index: var. coolidge=1.07, var. gorgiona=1.02). The efficacy was comparable to that of sucralfate (ulcer index 1.10). Histological examination confirmed the inhibition of ulcerogenic activity of the ethanol. Conclusions: Active principles of Feijoa sellowiana can play an important role in human diet and show beneficial effects on various diseases, particularly those caused by oxidative processes resulting in cell damage. The amount of polyphenols and vitamin E complex confirms the nutritional value of this fruit, grown in pedoclimatic condition very different from the origin area.
Connecting phosphorus loss from agricultural landscapes to surface water quality

The loss of phosphorous (P) from the landscape is commonly viewed as deleterious for surface water quality. However, the quantities lost and the impact this can have on surface waters depends on numerous mechanisms that occur whilst en route. The aim of this review is to give an outline of these mechanisms and thus how sources of P in the agricultural landscape are connected to the impairment of surface water quality. Processes are dealt with by examining the potential for P loss from the landscape and its availability to aquatic plants during flow overland and subsurface flow and once in streamflow or a lake or reservoir. By examining the connectivity between P loss and the impact on surface water quality, potential mitigation and management of P losses are discussed for various aquatic systems.
Chemical compositions and source identification of particulate matter (PM2.5 and PM2.5-10) from a scrap iron and steel smelting industry along the Ife-Ibadan highway, Nigeria

Abstract To determine the chemical compositions and source identification of PM2.5 and PM2.5–10 fractions, airborne particulate matter (PM) samples were collected from May, 2011 through April, 2012 at three sites: up and downwind and within a scrap iron and steel smelting industry, Ife–Ibadan highway, south western Nigeria. Samples of PM2.5 (fine) and PM2.5–10 (coarse) were collected on Nuclepore polycarbonate filters using a low volume GENT sampler equipped with a stacked filter unit (SFU). A total of 200 samples were collected (100 of each fraction). The mass concentration of the sampled fine and coarse PM fraction ranged between 14.4–986.5 μg/m3 and 11.2–3 250 μg/m3, respectively. These values exceed the permissible daily limit (NAAQS) of 35 μg/m3 for PM2.5 and 150 μg/m3 for PM10. The samples were analyzed for black carbon (BC) using an optical transmissometer and for elemental concentrations using X–Ray Fluorescence (XRF). The size–resolved data sets were analyzed using Positive Matrix Factorization (PMF) to identify possible sources and estimate the contribution of these sources to the fine and coarse PM mass concentrations. Four source categories, providing stable profiles, were identified for both fine and coarse fractions. The identified sources and their contributions for the fine fraction are coking coal (83%), soil (10%), metallurgical industry (6%), and electronic waste processing (1%). For the coarse fraction, the identified sources are metallurgical production plus electronic waste (53%), suspended input materials (28%), soil (18%), and galvanized steel scrap with cadmium (1%). Conditional probability function (CPF) identified the local sources for both the fine and coarse PM samples. This work presents the first known major use of PMF in Nigeria for source identification in particulate matter (PM) studies.
Evaluation of Antioxidant Activities of Water Extract from Microwave Torrefied Oak Wood

The aim of this study was to assess the in vitro potential of water extract from torrefied oak wood as a natural antioxidant. The antioxidant potential of the extracts was assessed by employing different in vitro assays, including reducing power, DPPH (2,2-diphenyl-1-picrylhydrazyl), ABTS [2,2'-azino-bis(3-ethylbenzothiazoline-6-sulphonic acid)], and FRAP (ferric reducing antioxidant potential) assays. The DPPH activity of the extract was increased in a dosedependent manner. Measurement of total flavonoid content of water extract from torrefied oak wood was achieved using an aluminum chloride colorimetric assay; the extract contained 192.12 mg/g flavonoid, which was significantly high when compared with standard quercetin. The results obtained in this study indicate that water extract from torrefied oak wood has significant potential for use as a natural antioxidant agent.
MEASURING the MECHANICAL PROPERTIES of APPLE TISSUE USING MODAL ANALYSIS

Along with the grade of intactness, fruit firmness is an important factor for the quality criteria on which the consumers acceptance for apples is based. Two methods for measuring the fruit firmness (a destructive one and a nondestructive one) are compared. the nondestructive method uses modal analysis to define the lower vibration modes. This enables the use of the 3-media elastic sphere model developed by Cooke and Rand (1973) to calculate the dynamic elastic moduli of the whole apples. the destructive method determines the dynamic elastic moduli of cylindrical samples of apple tissue. This method is based on the vibration characteristics of a mass-spring-damper system. This system consists of a cylindrical apple sample and a mass. Measuring the direct transfer function of this one-degree-of-freedom system results in values of its system parameters, from which the dynamic elastic moduli of the specimen can be calculated. The results of the two methods applied on Golden Delicious apples were compared, and the suitability of each model was evaluated.
Monthly, global emissions of carbon dioxide from fossil fuel consumption

This paper examines available data, develops a strategy and presents a monthly, global time series of fossil-fuel carbon dioxide emissions for the years 1950-2006. This monthly time series was constructed from detailed study of monthly data from the 21 countries that account for approximately 80% of global total emissions. These data were then used in a Monte Carlo approach to proxy for all remaining countries. The proportional-proxy methodology estimates by fuel group the fraction of annual emissions emitted in each country and month. Emissions from solid, liquid and gas fuels are explicitly modelled by the proportional-proxy method. The primary conclusion from this study is the global monthly time series is statistically significantly different from a uniform distribution throughout the year. Uncertainty analysis of the data presented show that the proportional-proxy method used faithfully reproduces monthly patterns in the data and the global monthly pattern of emissions is relatively insensitive to the exact proxy assignments used. The data and results presented here should lead to a better understanding of global and regional carbon cycles, especially when the mass data are combined with the stable carbon isotope data in atmospheric transport models.
INS Study on Physical Mechanisms of Bioprotection

The present work is aimed to investigate by Inelastic Neutron Scattering the vibrational behaviour of a class of bioprotectant systems, such as homologous disaccharides, trehalose, maltose and sucrose, in water mixtures. The obtained neutron scattering findings point out that disaccharides, and in particular trehalose, have a destructuring effect on the water tetrahedral network, as emphasised by the analysis of the librational modes region, and emphasise their kosmotrope character. The “cryptocrystalline” character, shown by the bending modes region features, has been investigated and linked to the different bioprotective effectiveness of disaccharide as a function of concentration. Keywords: disaccharides; trehalose; tetrahedral network; vibrational properties; neutron scattering.
Thermodynamic potentials and Clausius–Clapeyron equation for strained solids

The thermodynamic potentials and Clausius–Clapeyron equation are generalized to the solids with arbitrary homogeneous elastic deformations accompanied by change of the solid volume, in particular, to the solids strained by a uniaxial, biaxial, or triaxial pressure. The concept of an ‘effective’ volume V* = AV of the strained solid is introduced. The proportionality coefficient A does not depend on the strain value and is determined by the elastic compliances of the solid and by the stresses ratios. For hydrostatic pressure A = 1. The thermodynamic potentials, the Clausius–Clapeyron equation, and other thermodynamic equations for the strained solids are obtained from the usual ones only by replacing V with V*.
Changes in soil properties following forest invasion of Black soils of the Aspen Parkland

The objective of this study was to document the effect of forest invasion on Black soils of the Aspen Parkland in Saskatchewan. A prairie-forest transition zone less than 100-m wide was studied in an upland landscape (LM) with a strong eluvial regime and a lowland landscape (WQ) where strong leaching was restricted to depressional areas. A direct count of grass opal along each transect provided evidence that forest vegetation had invaded prairie as similar amounts of grass opal occurred under forest and prairie. Soil morphology and horizon development could be related to microrelief and to site productivity as inferred from grass opal content along the transects. Forest invasion affected soils differently in the two landscapes. At LM, forest invasion was accompanied by losses of clay and organic materials as soils were progressively transformed into leached and more acidic Luvisolic soils. Eluvial and illuvial development occurring under forest were most pronounced in microdepressions and concave portions.
Seasonal trends in soil biochemical attributes: Effects of crop management on a Black Chernozem

Knowledge of the response of soil biochemical attributes to crop management and growing season weather is important for assessing soil quality and fertility. Long-term (38–39 yr) crop rotations on a Black Chernozem at Indian Head, Saskatchewan, were sampled (0- to 7.5-cm depth) between early May and mid-October, 11 times in 1995 and 9 times in 1996. We assessed the effect of cropping frequency [fallow–wheat (Triticum aestivum L.) (F–W) vs. F–W–W, vs. Continuous (Cont) W], fertilizers (unfertilized vs. N + P applied), straw harvesting, legume green-manure (GM) in GM–W–W (unfertilized), and legume-grass hay (H) in F–W–W–H–H–H (unfertilized) systems. Changes in organic C and total N (OC, TN), microbial biomass C (MBC), light fraction C and N (LFC and LFN), mineralizable C and N (Cmin and Nmin), and water-soluble organic C (WSOC) were monitored. Organic C and TN were constant and unaffected by rotation phase during the season, but most of the other more labile soil biochemical attributes varied during the sea.
Indirect Competitive Immunoassay for Mercury Ion Determination Using Polyclonal Antibody Against the Hg-GSH Complex

Hg is a highly toxic heavy metal in the environment. Detection and quantification of Hg plays an important role in the study of environmental contamination with this metal. A polyclonal antibody that recognizes Hg-ethylenediamine-N,N,N′,N′-tetraacetic acid (EDTA) was produced by immunizing the New Zealand white rabbit with Hg conjugated to bovine serum albumin (BSA) via a bifunctional chelator, glutathione (GSH), and the resulting antiserum was screened through indirect noncompetitive enzyme-linked immunosorbent assay (ELISA) using GSH-ovalbumin (OVA) and Hg-GSH-OVA. The polyclonal antibody displayed high levels for the relative Hg-GSH-OVA conjugate. The concentration of Hg2+was quantified based on the ability of its EDTA complexes to inhibit the binding of the goat anti-rabbit IgG conjugated with horseradish peroxidase and, subsequently, color formation in the assay. The indirect competitive ELISA was specific to Hg2+, with the lowest detection limit reaching 9.55 ng/mL. Cross-reactivities with other metals were less than 0.001% except for Cd2+, which showed a slight cross-reactivity in indirect competitive ELISA. The recoveries from deionized water were in the range of 90% to 102%. Results indicated that the ELISA based on polyclonal antibody could be a very promising analytical tool for rapid (3 to 5 hr) and sensitive determination of Hg and other metal ions in the environment. Additionally, the indirect competitive ELISA can potentially be applied in environmental forensics studies, as a sensitive and inexpensive monitoring method for environments polluted with Hg and possibly other metal ions.
Evaluation of selective extraction methods for recovery of polyphenols from pine

Abstract The extraction conditions have been evaluated concerning the recovery of specific polyphenols from Scots pine (Pinus sylvestris) knots by means of an accelerated solvent extractor. The composition of the extracts was determined by gas chromatography, gas chromatography-mass spectrometry, and high-performance size-exclusion chromatography. The main phenolic compounds are the stilbenes pinosylvin and its monomethyl ether and the lignan nortrachelogenin (NTG), and their amounts vary a lot from sample to sample. The sequential extraction with a nonpolar solvent as a first step for removing the lipophilic compounds was the most efficient approach for the recovery of both pinosylvins and NTG. For food applications, hot water and 85% aqueous ethanol were good solvents for the production of the substances in focus. An industrial knotwood sample from a pulp mill was sequentially extracted with cyclohexane and ethanol/water (95:5) in a large-scale Soxhlet equipment. The results show that the industrial production of pinosylvins and NTG from knots is feasible.
Formation of MgO nanorods in the reaction zone of a Mg–CuO powder mixture by in-situ reaction

We report the in-situ formation of MgO nanorods during sintering of a Mg–20 wt% CuO powder mixture at 450°C. After sintering, we identified three regions with distinct microstructures in the reaction zone between the Mg grain and the newly formed Cu grain. Region I contained MgO nanorods and Cu nanoparticles, region II was composed of MgO nanorods, while larger nanometre-sized MgO crystals were found in region III. The MgO nanorods were single crystals with a diameter of about 20 nm and a length of about 100 nm. The growth of these nanorods was controlled by the vapour–solid mechanism. The progressive change in morphology of the MgO phase had induced a hardness gradient across the reaction zone. As a result, the interfacial bonding between the major phases in the sintered product was enhanced.
Synthesis, Characterization, and Electrochemical Behavior of Mixed‐Ligand Complexes of Cobalt(III) with Dimethylglyoxime and Some Amino Acids

The syntheses of non‐electrolyte complexes of the general formula [Co(Hdmg)2(HA)X], where Hdmg˭dimethylglyoximato monoanion, HA˭glycine (Gly), Serine (Ser), Cysteine (Cys) or Cystine (Cys–Cys) and X˭Cl, Br, I, SCN are described. The structure of the complexes proposed according to elemental analyses, IR, UV‐Visible and 1H NMR spectra is pseudo-octahedral. The cyclic voltammograms in DMSO at a GC disk electrode consist of two processes (I and II) corresponding to oxidations, whereas the redox systems III and IV appear to be associated with reduction processes. The Co(II)/Co(I) redox couple is reversible for various complexes and is relatively insensitive to the axial ligand. The Co(III)/Co(II) couple depends on the axial ligation, shows chemical irreversibility and has a much slower rate of electron transfer than the Co(II)/Co(I) couple due to the strong binding of the Lewis base to the Co(III) ion.
Predicting thermochemical parameters of oxygen-containing heterocycles using simple QSPR models

Quantitative structure–property relationships for the prediction of standard enthalpies and entropies of formation as well as standard molar heat capacities for small oxygen heterocyclic compounds were developed, using 1D, 2D and 3D descriptors and experimental or computed thermochemical data. To develop the models, the data set was split into test and training sets using D-optimal experimental design to generate a diverse training set. Internal (R 2 cross-validated = 0.898 − 0.998) and external (R 2 cross-validated = 0.847 − 0.996) validation showed the models to be both stable and highly predictive. Enthalpies of formation were best described by electrotopological, atomic composition and molecular refractivity descriptors, while Kier and Hall χ and κ descriptors as well as the number of rotatable bonds appear frequently in models describing the entropy of formation of these compounds. Heat capacity models often feature the molecular area descriptor as well as the Kier and Hall 0χ descriptor and the number of methyl groups present in the molecule.
Nanoporous Ag–CeO2 ribbons prepared by chemical dealloying and their electrocatalytic properties

A novel and facile strategy for the preparation of a monolithic Ag–CeO2 composite is reported. Here, nanoporous Ag–CeO2 ribbons are successfully prepared through dealloying melt-spun Al79.5Ag20Ce0. 5 alloy in a 5 wt% NaOH aqueous solution, followed by calcining in air. The Ag–CeO2 ribbons with a homogeneous pore/grain structure are thermally stable up to 973 K because of the formation of Ag cores and CeO2 shells. Uniform CeO2 particles with lengths of about 5 nm are dispersedly loaded on the fine Ag grains of the porous structure. The Raman spectra show that a larger number of oxygen vacancies are formed in the CeO2 nanoparticles with an increase of the calcination temperature. The electrochemical tests reveal that the nanoporous Ag–CeO2 catalyst exhibits an enhanced activity toward the direct oxidation of sodium borohydride. The superior catalytic activity is attributed to the enhancement of the interfacial interaction between Ag and CeO2. The present work opens up a novel method to prepare metal–CeO2 nanocomposites with high catalytic performance and low cost.
Transient Radical Diffusion in Photoinduced Hydrogen Abstraction Reactions of Benzophenone Probed by the Transient Grating Method

The transient grating method is used for investigating the diffusion dynamics of the transient radicals created by photoinduced hydrogen abstraction reactions of benzophenone (BP) in various solvents, acetone in 2-propanol, and acetoaldehyde in ethanol. The diffusion coefficients (D) of the BP kethyl radical and BP are obtained simultaneously. In acetone/2-propanol and acetoaldehyde/ethanol systems, only the signals due to intermediate radicals are observed. The D values of the transient radicals are two to three times smaller than those of BP