Miracle-dz/UniFAR-FTUs huggingface dataset:
Inorganic crystal structures from powder data—A retrospection

More than 10 000 inorganic structures based on both X-ray and neutron powder diffraction data were extracted from the ICSD database and analyzed considering overall trends, cell symmetries, occurrence of the space groups, complexity, precision and reliability of reported data. It was found that the major amount of structures belong to higher symmetries and have 2–5 atoms in the asymmetric unit. Less than 35% of the e.s. d. 's of atomic coordinates is ≤10−3 and 10−4 or better was reached in only 5% of cases. Approximately one-quarter of papers contain possibly inaccurate atomic coordinates or interatomic distances. A short review of journals publishing structures derived from powders is also given.
Effect of humic and ascorbic acids foliar application on yield and yield components of two Wheat cultivars grown under newly reclaimed sandy soil

Two field experiments were carried out during winter seasons of 2010/2011 and 2011/2012 in the Research and Production Station of National Research Centre, Nubaria district, Behaira Governorate, Egypt. The experimental design was sub-sub plot design arranged three factors which were two wheat cultivars (Gemiza-10 and Sids-12) in the main plots, two levels of humic acid as foliar application (control and 13 mg/l at 30 and 45 DAS) in sub- plots and –four levels of ascorbic acid as foliar applicaton (0, 100, 200 and 300 mg/l at 30 and 45 DAS) in sub-sub plots. The obtained results indicated that Gemiza-10 cultivar surpassed Seds-12 in plant height; spike length (cm); number of spikelets/spike, grain yield/plant, grain, straw and biological yields (ton/fed), harvest index, protein % and protein yield (kg/fed) by significant differences. Humic acid foliar spray significantly surpassed without spray (control) in most studied characters. Application of 300 mg/l ascorbic acid gave the best result for all studied characters. Gemiza-10 x humic foliar spray produced the tallest spike length (10.33 cm), highest values of number of spikelets/spike (18.58), grain yield (2.279 ton/fed.), straw yield (2.407 ton/fed.), biological yield (4.687 ton/fed.), harvest index (49 %), protein (10.48%) and protein yield (238.84 kg/fed.). Gemiza-10 x ascorbic acid (300 mg/l) gave the best values. The interaction between humic acid (13 mg/l) and ascorbic acid (300 mg/l) recorded the highest valuse in all studied characters. Sids-12 x humic acid (13 mg/l) x ascorbic acid (300 mg/l) was the best in all studied characters except for number of tillers/ plant and number of spikelets/spike.
The Procedure for Evaluating the Adsorption Energy Distribution from an Analysis of Thermodesorption Spectra Based on the Statistical Rate Theory

We have recently proposed a new method for evaluating the adsorption energy distribution function χ(ε) from the numerical analysis of thermodesorption spectra. This method is based on an application of the Statistical Rate Theory developed by Ward et al. (1982). In this paper, we present some simplifications of this method thereby allowing its ready application. Illustrative calculations for the nitrogen thermodesorption spectra from the surface of molecular sieve carbon fibres (MSCF) are presented.
Properties of Poly(sodium 4-styrenesulfonate)-Ionic Liquid Composite Film and Its Application in the Determination of Trace Metals Combined with Bismuth Film Electrode

A new kind of bismuth film modified electrode to sensitively detect trace metal ions based on incorporating highly conductive ionic liquids 1-butyl-3-methyl-imidazolium hexafluorophosphate (BMIMPF6) in solid matrices at glassy carbon (GC) was investigated. Poly(sodium 4-styrenesulfonate) (PSS), silica, and Nafion were selected as the solid matrices. The electrochemical properties of the mixed films modified GC were evaluated. The electron transfer rate of Fe(CN)(6)(4-)/Fe(CN)(6)(3-) can be effectively improved at the PSS-BMIMPF6 modified GC.
Cadmium(II), Lead(II), and Copper(II) Biosorption on Baker’s Yeast (Saccharomyces cerevesiae)

AbstractThe biosorption properties of ethylenediaminetetraacetate (EDTA)-treated biomass of baker’s yeast (Saccharomyces cerevisiae) are studied for the removal of Cadmium(Cd), Lead(Pb), and Copper(Cu) from artificially prepared industrial wastewater. The metal ions are chosen for biosorption studies with regard to their availability in industry and potential pollution impact. The optimum biosorption capacity of these metal ions on the biomass is obtained at pH 5. It is observed that the sorption capacity of EDTA-treated biomass increases when the initial concentration of the metal ions is increased. Both Langmuir and Freundlich isotherm models are used to fit experimental biosorption equilibrium data. The maximum biosorption capacity as determined via the Langmuir isotherm is 32.26, 200.0, and 17.24 mg/g for Cd(II), Pb(II), and Cu(II) ions, respectively. The kinetics of biosorption is studied using both pseudo first order and pseudo second order models. Based on a linear regression correlation coefficie.
Preparation of Silver Nanoparticles‐Based Sensors for the Electrochemical Detection of Thiourea in Leaching Solutions of Waste Electrical and Electronic Equipment

Waste of electrical and electronic equipment is an interesting secondary resource of base and precious metals. Particularly the use of thiourea-leaching in acidic medium was proposed for noble metals recovery. In this work, a novel and easy-to-use electrochemical sensor was developed, aimed to test thiourea from leaching solutions containing significant thiourea and copper amounts. The sensor was constructed using silver nanoparticles (AgNPs) deposited on screen-printed electrodes. Its performance was studied in a synthetic leaching solution; changes in the overall surface charge of AgNPs resulting in changes in the charge-transfer resistance for the copper ions were evaluated by electrochemical impedance spectroscopy.
Primary production of microalgae in sediments measured by oxygen microprofile, H14CO3 ‐ fixation, and oxygen exchange methods1

A platinum microelectrode was used to measure changes in dissolved oxygen profiles in surface sediment exposed to light and darkness. Estimates of production by microalgae thus derived were compared with those derived from conventional methods of measuring changes in dissolved oxygen and H14C0,- uptake. For each particular depth in the sediment, the primary production can be determined within a few seconds by the new method. Undisturbed sediment cores were used for the H14C0,- fixation assay of benthic photosynthesis. Measurements of the specific activity of HC03- within the photic zone showed a steep gradient of IP”CO,- at the sediment surface. Calculations of benthic photosynthesis taking the actual specific activity into account yielded 2-5 times higher estimates than calculations using the specific activity in the overlying water. In a highly oxidized sediment, the three methods yielded almost identical results at low light intensities (200 pEinst*m-2*s-1). The oxygen methods grossly underestimated the primary productivity at higher light intensities, due to bubble formation. The conventional oxygen method grossly underestimated the primary productivity in sulfuretm~r-type sediments as compared to the two other methods. In addition to photosynthesis, the oxygen consumption by the sediment was determined by oxygen microprofiles.
Synthesis of Micelle-Templated Silicas from Cetyltrimethylammonium Bromide/1,3,5-Trimethylbenzene Micelles

Micelle-templated silicas (MTS) were synthesized by self-assembly of inorganic silica and micelles of cetyltrimethylammonium bromide (CTAB) containing different amounts of 1,3,5-trimethylbenzene (TMB) at 343 K. Nitrogen sorption isotherms and transmission electron microscopy (TEM) showed that MTS pore size increased with the increase of TMB amount. However, at TMB/CTAB = 5 the material was characterized by double porosity, due to destabilization of the surfactant emulsion (demixed emulsion), whereas at TMB/CTAB = 13 a stable emulsion originated a solid at uniform pore size. The kinetics of formation of these MTS was followed by inserting a radical-surfactant probe in the surfactant mixture and monitoring, by computer-aided EPR analysis, the structural variations of the surfactant aggregates and of the solid over time. In the absence of TMB, the probes monitored the formation of a polar solid at the surface of the micelles. Only at t > 150 min a slow component started contributing to the EPR signal, indica.
Rheological and mechanical properties of wood flour filled polyisoprene/chlorosulphonated polyethylene rubber blends

The effect of wood flour (WF) on curing behavior and swelling properties of polyisoprene rubber/chlorosulphonated polyethylene (NR/CSM) rubber blends was investigated. The mechanical properties, as well as the equilibrium swelling characteristics of the elastomeric composites filled with WF (particle size from 300 to 400 μm) were measured as a function of filler loading (the range of 0 to 50 phr) and compared with the values for the elastomeres based on commercial grade carbon black filler (nano-sized particles, 26-30 nm). In some formulations phenol-formaldehyde (PF) resins are used to achieve better adhesion between rubber macromolecules and filler particles. For WF filled elastomeres the maximum tensile strength of 11 MPa at 20 phr was recorded. Hardness of samples filled with WF increased with filler loading. Abrasion resistance decreases marginally with increasing filler loading. The equilibrium sorption in toluene of NR/CSM vulcanizates filled decreased with increasing filler loading for both type of filler.
Micro-homogeneity of Candidate Reference Materials Characterized by Particle Size and Homogeneity Factor Determination

The IAEA Analytical Quality Control Services (AQCS) have made available two single-cell algal materials, IAEA-392 and IAEA-393, and an urban dust, IAEA-396, to study their use for analytical sample sizes in the milligram range and below. Solid sampling Zeemans effect AAS was applied to the determination of trace elements on the bases of 10 - 6 –10 - 3 g amounts of the selected materials. The comparability of the mean values and the reproducibility of successive measurements is being evaluated in order to compare relative homogeneity factors for many elements in the investigated materials. From the reported results it seems that the algal materials IAEA-392 and IAEA-393 are extremely homogeneous biological materials for a number of elements with an extraordinarily sharp particle size distribution below 10 - 5 m. A similar situation seems to hold for the urban dust material IAEA-396, which had been air-jet milled to a particle size distribution of around 4 × 10 - 6 m. The introduction of these materials as CRMs with very small amounts needed to determine the certified concentrations will help to meet the needs of micro-analytical techniques for natural matrix reference materials.
Luminescence decay of ZnS:Ag in the 10−7 to 1 s range by means of laser excitation

A high sensitivity experimental set up for luminescence decay measurements is described. Luminescence light decay in ZnS: Ag after excitation by a pulsed N2 laser is measured in the 0.1 μs to 1 s time range. Spectral evolution in the first 15 μs is investigated and a strong violet emission at zero time is observed. A comparison is made of the experimental results with donor–acceptor pair theory. Dans cet article on fait la decription d'un equipement experimental pour la mesure du decroissement de la luminescence avec le temps. La luminescence du ZnS: Ag, excitee par laser a N2, a ete mesuree dans l'intervalle compris entre 0,1 μs a 1 s. L'evolution de l'espectre de luminescence pendant les premieres 15 μs a ete mesuree, et on a trouve une forte emision violet pendant les instantes initiales. On a fait un comparison entre les resultats experimentales et la theorie de pairs donateur accepteur.
The 5‐HT and α‐Adrenoceptor Antagonist Effect of Four Benzylisoquinoline Alkaloids on Rat Aorta

The action of four benzylisoquinoline alkaloids (two aporphines—glaucine and apomorphine, a benzylisoquinoline—papaverine and a bisbenzyltetrahydroisoquinoline—antioquine) on 5‐HT‐induced contraction in rat thoracic aorta has been examined and compared with that of the control drugs: ketanserin, nifedipine, prazosin and phentolamine. The relaxant action on 5‐HT‐induced contraction was contrasted with that on the contraction induced by noradrenaline and KCl.
Linear Solvation Energy Relationship (LSER) Modeling and Kinetic Studies on Propionic Acid Reactive Extraction Using Alamine 336 in a Toluene Solution

Organic solutions of amines are being used increasingly to separate organic acids from aqueous mixture solutions via reactive extraction. The design of an amine extraction process requires kinetic data for the acid + amine + solvent system that is used. Kinetic studies for the extraction of propionic acid from aqueous solution with Alamine 336 diluted in toluene were conducted using a stirred cell for kinetic studies. Equilibria for propionic acid extraction by Alamine 336 in toluene as a diluent have been determined. All measurements were conducted at a temperature of 298.15 K. The extent to which the organic phase may be loaded with propionic acid is expressed as a loading ratio (Z). Calculations based on the stoichiometry of the reactive extraction and the equilibria that are involved indicated that more propionic acid is transferred to the organic phase than would be expected from the 1:1 stoichiometry of the reaction. The equilibrium data were also interpreted by a proposed mechanism of three reactio.
Effects of Addition Sequence and pH of Oxalate on the Adsorption and Activity of Acid Phosphatase on Soil Colloids and Minerals

The adsorption and specific activities of acid phosphatase on soil colloids and minerals in oxalate systems with different pH values were studied using the batch method. Results indicated that the amount of phosphatase adsorption decreased in the following order: goethite ≫ yellow-brown soil (YBS) > kaolinite > latosol, and the specific activities of immobilized phosphatase were goethite > latosol > kaolinite > YBS. The profiles of enzymatic adsorption and specific activity on soil minerals were bell shaped, and their change tendencies were out of sync. The optimal pH for phosphatase adsorption was located between the isoelectric point of phosphatase and the zero point of charge of the studied soil minerals, and the optimal pH for the specific activity of the immobilized enzyme either did not change or shifted toward alkalinity. Enzymatic adsorption amounts and specific activities were greater when the enzyme was added before oxalate than when enzyme was added after oxalate.
Lead sulfide nanocrystal: conducting polymer solar cells

In this paper, we report photovoltaic devices fabricated from lead sulfide nanocrystals and the conducting polymer poly(2-methoxy-5-(2′-ethyl-hexyloxy)-p-phenylene vinylene). This composite material was produced via a new single-pot synthesis which solves many of the issues associated with existing methods. Our devices have white light power conversion efficiencies under AM1.5 illumination of 0.7% and single wavelength conversion efficiencies of 1.1%. Additionally, they exhibit remarkably good ideality factors (n = 1.15). Our measurements show that these composites have significant potential as soft optoelectronic materials.
Co-Doped ZnS Clusters and Nanostructures Produced by Pulsed Laser Ablation

In this work, we synthesize Co-doped ZnS nanocrystals by pulsed laser ablation and deposition and investigate the composition and dynamics of the plasma produced in the ablation by time-of-flight mass spectrometry. The first experimental observation of Co-substituted ZnS clusters in the ablation plasma is reported; three series of cationic bimetallic clusters Znn–mComSn+, Znn–mComSn+1+, and Znn–mComSn–1+ are identified upon 1064 nm laser ablation of targets of Co (2%) in ZnS. Neutral clusters produced in the ablation are also observed by F2 laser (λ = 157 nm) postionization. Deposits are collected at the same laser ablation wavelength and fluence at which the above bimetallic clusters are observed in the plasma. Analysis by high-resolution transmission electron microscopy and energy-dispersive X-ray spectrometry obtains that the deposits are composed of Zn0.96Co0. 04S nanocrystals with local structure showing epitaxial growth between the zinc blende and wurtzite politypes. The deposits show paramagnetic be.
Effects of Polydispersity on Phase Behavior of Diblock Copolymers

The influence of polydispersity on the phase behavior of diblock copolymer melts is studied using a self-consistent field theoretic model. A perturbation theory is developed for the polydisperse system, in which the polydispersity index, κ = Mw/Mn − 1, is taken as a perturbation parameter. Phase diagrams are constructed using the reciprocal space method. It is found that the order−disorder transition boundary shifts to higher temperatures, as predicted by a random phase approximation analysis. For asymmetric polymer distributions, polydispersity favors structures with curved interfaces. The domain spacing of the ordered structures increases with increasing polydispersity index. An analysis of the free energy provides an understanding of the mechanism of these effects.
Niobium and titanium electrowinning in fused salts

In the frame of the preparation of refractory metals, thermodynamics and kinetics properties of salts of refractory metals (mainly titanium, and niobium) dissolved in alkali chloride melts were determined by transient electrochemical techniques. Two kinds of reactions occur in the melts: homogeneous reactions such as: Me(n+z)+ + ne− ⇌ Me+ where Me(n+z)+ and Mez+ are two oxidation states of metal ions; heterogeneous reactions corresponding to the metal deposition: Men+ + ne− ⇌ Me. The potential corresponding to the reactions are linked to the Gibbs free energy of formation of salt solutions. The formal standard potentials of the various redox reactions were measured by transient electrochemical techniques. These techniques were also used to determine the reaction kinetics and to measure the diffusion coefficients of the active ions which control the deposition process. In pure chloride melts, the metal is obtained from the reduction of lower oxidation states, Ti2+ and Nb3+. However, disproportionation reactions and the formation of insoluble subhalides perturb the reduction reaction. When a small amount of NaF was added to the bath, the direct reduction of Ti3+ or Nb4+ to metal was obtained, which greatly improved the quality of the deposit.
Regulation of cellular manganese and manganese transport rates in the unicellular alga Chlamydomonas

The cellular accumulation and uptake kinetics of manganese by Chlamya’omonas sp. were studied in model chelate buffer systems. Cellular manganese concentrations and uptake rates were related to the computed free manganese ion concentration and were independent of the total or chelated manganese concentration. Cellular manganese was constant at about 1 mmol liter-’ of cellular volume at free manganese ion concentrations of 1 O-7.b-l O-6.3 mol liter-l and decreased below this range. Manganese uptake rates followed saturation kinetics and V,,,, but not KS (1 Om7.0 mol liter-l), varied with the fret manganese ion concentration in the growth medium. V. ,, appeared to be under negative feedback control and increased with decreasing manganese ion concentration. Variations of up to 30-fold in this parameter seemed to be instrumental in limiting the variation in cellular manganese to a sixfold range (0.18-l .O mmol liter-‘) despite a 1 ,OOO-fold variation in free manganese ion concentration in the growth medium ( 10-9.5-10-6.3 mol liter-‘).
Comparison Study on CO2-Promoted Crystallization and Melting Behavior of Polypropylene: Homopolymer and Copolymers

Three types of polypropylene, namely propylene homopolymer (HPP), block copolymer of propylene with ethylene (CPP-B) and random copolymer of propylene with ethylene (CPP-R), were melted and isothermally crystallized in a self-designed vessel under supercritical carbon dioxide (Sc-CO2) atmosphere. The melting behavior and crystalline forms of crystallized samples were investigated using differential scanning calorimetry (DSC) and wide-angle X-ray diffraction (WAXD). The results showed that the presence of Sc-CO2 could improve the crystallinity for all three polypropylenes, and the promoting effect was more obivious with increasing CO2 pressure. In addition, it was observed that γ-crystals could be obtained in the CPP-B and CPP-R samples crystallized under Sc-CO2, while no γ-crystals were formed in HPP under the given conditions. The relative content of γ-crystals obtained in CPP-R samples was much higher than that of CPP-B, and 100% γ-phase could be formed in the CPP-R sample when subjected to 14 MPa Sc-CO2.
Simulation of Biodiesel Jet in Cross Flow

Near field behaviour of a liquid jet in crossflow, i.e. deformation, primary breakup and penetration is investigated. Biodiesel, diesel and their blend are used as the liquid jets entering the crossflow of air. In this study, the primary breakup of biodiesel jet is simulated using the Volume of Fluid (VOF) numerical method. In order to, accurately, capture vortices including the horseshoe vortex in the gas and the liquid internal vortices, Large Eddy Simulation (LES) turbulence model is coupled with the VOF. The operating condition of this study is gas Weber number of 48 and 80 with a liquid to gas momentum ratio of 50 and 100. This work serves as a comparative study of biodiesel and diesel spray characteristics in crossflow. The results show lower penetration depth of biodiesel comparing to diesel that agree well with the previous experimental work of the authors [1].
Hydrogel Membranes Based on Gum Tragacanth with Tunable Structure and Properties. I. Preparation Method Using Taguchi Experimental Design

Gum tragacanth (GT) was exploited to create a series of novel hydrogel membranes with diverse swelling properties. The films of this biopolymer were crosslinked with applying heat only, as well as application of four types of chemical crosslinking reagents, including glycerin, ethylene glycol, triethylene glycol, and glutaraldehyde. The effects of the crosslinking agent concentration, crosslinking reaction temperature (57–97°C) and reaction time (2–24 h) on the equilibrium swelling of each series of the synthesized hydrogels were investigated by the aid of Taguchi method of experimental design. This approach facilitated the study of interaction of a large number of variables spanned by factors and their levels with a small number of experimental runs. In all cases, it was found that by increasing the concentration of each type of the crosslinking reagent and extension of the crosslinking reaction time, the swelling capacity of the prepared hydrogel films decreased. However, by increasing the crosslinking temperature, the equilibrium swelling capacity changed by passing through a minimum. As a whole, the equilibrium swelling values of the hydrogels proved that a broad range of hydrogel membranes having the crosslinking densities of 0.83–23.87 × 10−6 mol/cm3 and swelling capacities of 120–1580 g/g was achieved successfully from GT. Thus, GT was assigned as a promising biopolymer for preparing membranes with diverse structural and swelling characteristics. © 2011 Wiley Periodicals, Inc. J Appl Polym Sci, 2012