Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of Anionic Surfactants on Crystal Growth of Calcium Hydrogen Phosphate Dihydrate

The effect of anionic surfactants (single-chained sodium n-dodecyl sulfate (SDS), asymmetric double-chained sodium bis(2-ethylhexyl) sulfosuccinate (AOT), and two-headed disodium oleoamido PEG-2 sulfosuccinate) on the crystallization process of calcium hydrogen phosphate dihydrate (DCPD) was investigated. All surfactants, depending on the type and actual concentration, showed inhibitory effects on the overall crystallization process. Below the critical micelle concentration (cmc), electrostatic adsorption of surfactant anions on lateral crystal faces inhibited crystal growth and changed crystal morphology. Above the cmc, SDS and AOT caused phase changes; that is, a mixture of DCPD and octacalcium phosphate was formed.
Economic Synthesis of High Quality InP Nanocrystals Using Calcium Phosphide as the Phosphorus Precursor

InP nanocrystals of low size dispersion are synthesized in 1-octadecene using indium myristate and PH3, in situ generated from the air-stable and low-cost precursor calcium phosphide. The obtained nanocrystals exhibit size-dependent emission (570–720 nm), and their fluorescence quantum yield reaches 22% after overcoating with a ZnS shell.
The Chemistry and Development of Pine Tannin Adhesives for Exterior Particleboard

Pine tannin-based adhesives obtained by the reaction of polymeric MDI (4,4'-diphenylmethane diisocyanate) with mildly sulphited pine tannin extract are described.Tolerance limits as regards moisture content resistance, pressing time, proportion of MDI and tannin extract, percentage adhesive solids content and others were studied at laboratory level. Industrial results of extended plant production runs of these adhesive systems showed very encouraging results and are presented. The reactions of polymeric MDI with model compounds representing all the different species in the adhesive systems presented were studied by FT-IR and gave an indication, in water solutions, of which species are likely to react and at what rates. The results obtained also indicate that non-emulsifiable MDI can be successfully used with tannins and other poiyols in water solutions.
Effect of temperature and soil phosphorus status on the determination of extractable phosphorus by Olsen's method—development of a correction factor

The determination of extractable phosphorus by Olsen's method is dependent on the temperature of the extracting solution. In order to standardise the results obtained for soils to a given temperature (under conditions where soil testing laboratories are not air conditioned) a correction factor has been developed. Unlike a previously developed correction factor this takes account of the soil phosphorus status. The factor was tested on a group of soils and was found to be workable.
A numerical investigation into factors affecting the anchorage of roots in tension

The arrangement of a plant's roots in the soil determines the ability of the plant to resist uprooting. We have investigated the influence of root morphology on anchorage using simple patterns of root systems and numerical simulation. The form and mechanical properties of roots were derived from results found in the literature. Major parameters determining soil characteristics, root patterns and strength were varied so that their influence could be evaluated. The design of the experimental method we used generated an optimal number of configurations of different root systems, the tensile resistances of which were calculated by two‐dimensional finite element analysis. We could quantify the influence of specific parameters, e.g. branching angle, number of lateral roots and soil cohesion, as well as global parameters such as total contact area, basal diameter and volume of the whole root system. We found that the number of roots and the diameter of roots were major components affecting the resistance to uprooting. The combination of topology and biomass explained 70% of the variation of tensile resistance.
Application of Neural Networks for the Prediction of Total Phosphorus Concentrations in Surface Waters

This paper describes the application of artificial neural networks (ANNs) for the time series modeling of total phosphorous concentrations in the Odra River. Data from the monitoring site Police in the lower part of the Odra were used for training, validating and testing the models. Two models are proposed to prove the satisfactory forecast of phosphorus concentrations: a simpler one with a single input variable and a more complex one with 14 input variables. Both ANN models show a high ability to predict from the new data set. On the basis of sensitivity analysis the relationships between phosphorus concentrations and other water quality variables were established.
Synthesis, characterization and thermal properties of polystyrene–poly(lactic acid)–polystyrene triblock copolymer via atom transfer radical polymerization

Polystyrene (PS)–poly(lactic acid) (PLA)–PS triblock copolymer is prepared with PLA and styrene (St) via atom transfer radical polymerization (ATRP). The structure and thermal properties of the copolymer are analyzed by infrared spectroscopy, gel permeation chromatography, nuclear magnetic resonance, thermogravimetry, differential scanning calorimetry and alcoholysis. The ATRP of St using bromine-terminated PLA as the initiator exhibits first-order kinetics and a low-molecular-weight distribution (M w/M n ≈ 1.5). The thermal stability of PLA is improved by copolymerization. Both the initial temperature of thermal decomposition and glass transition temperature are increased with an increasing length of PS block.
Effective barrier heights of mixed phase contacts: Size effects

Computer simulations of mixed phase Schottky contacts have been performed to gain insight into the effects of lateral dimensions upon device behavior. As expected, lateral dimensions comparable to the Debye length of the semiconductor result in strong modification of the device characteristics that would result from independent, parallel diodes. We suggest that such effects can play a role in most experimentally obtained contacts. Current models of Schottky barrier formation typically invoke kinetics‐limited chemical interactions at the metal‐semiconductor interface; such effects are unlikely to be laterally uniform over macroscopic dimensions, and may well provide strong sensitivity to seemingly minor variations in preparation techniques used by different groups. We demonstrate that mixed phase contacts, with size effects, can affect ideality factors, and can also cause disagreement between C‐V and I‐V barrier heights.
The Influence of Process Parameters on the Properties of PLGA-Microparticles Produced by the Emulsion Extraction Method

Controlled release poly(lactic-co-glycolic acid) microparticles for use as active pharmaceutical ingredient carriers were prepared by the emulsion extraction method. Particle formation experiments were carried out in a stirred vessel. The local flow conditions in these experiments, that is, local shear rates and dissipation rates, and the extraction rate of the organic solvent were examined by a computational fluid dynamics (CFD) simulation. The local flow conditions in the stirred tank reactor have a significant influence on the final properties, specific surface area, skeletal density, organic solvent content, and size of the microparticles. We determined nondimensional correlations for predicting these particle properties as functions of the process parameters as, for example, the stirrer speed, emulsion injection point, and oil droplet size in the initial emulsion. The results demonstrate that CFD simulations offer insight into the particle formation process for different batch sizes and provide a basis for scale-up and optimization of the process. © 2012 American Institute of Chemical Engineers AIChE J, 59: 1868–1881, 2013
HYDROLYTIC CHARACTERISTICS OF POLYFERRIC SULFATE AND ITS APPLICATION IN SURFACE WATER TREATMENT

The hydrolysis and polymerization of polyferric sulfate (PFS) were characterized. Jar test experiments were conducted to evaluate the coagulations of PFS, ferric chloride, and polyaluminum chloride. A pilot water-treatment plant consisting of coagulation, sedimentation, and filtration processes at a capacity of 30 l/h was simulated to analyze the effect of coagulant types on their performances. Results show that PFS leaves less iron residual and yields more efficient removals of turbidity and color than equivalent doses of conventional coagulants.
Sorption and desorption of lindane by wood charcoal in fixed‐bed reactor

Abstract Sorption and desorption of lindane (y‐HCH) by wood charcoal (WC) and wood charcoal treated by 1N HNO3 (WCT) in fixed‐bed reactor (FBR) were investigated in this study. WCT revealed a better performance than WC, in removing lindane in FBR. The breakthrough of lindane was significantly affected by the size of WCT, flow rate to the FBR, and depth of WCT bed. The removal of lindane in the presence of mixture of other pesticides was considerably reduced. The design parameters for FBR were calculated based on the bed‐depth service time (BDST) approach. Many parameters Viz. depth of sorption zone, velocity of sorption, sorbent use rate, critical bed‐depth, bed efficiency, and service time, were determined for design of the fixed‐bed. Using the material balance principle, the characteristics of the wave‐front were evaluated and found that the wave‐front velocity is approximately equal to the sorption velocity determined from the BDST approach. Desorption studies were performed in dilute organic solvent m.
Gallate derivatives as antioxidant additives for polypropylene

Octyl gallate (OG), dodecyl gallate (DG), and hexadecyl gallate (HG) were synthesized and characterized by Fourier transform infrared (FTIR) and NMR, and their thermal stability was measured by thermogravimetric analysis (TGA). The antioxidant effect of these derivatives in polypropylene (PP) was measured by oxidation induction temperature measurement on DSC, and by measurement of carbonyl groups in the polymer on attenuated total reflectance FTIR spectroscopy after they were aged at 120°C. The results indicated that the gallate derivatives could provide long-term stabilization to PP under conditions of oxidative degradation. The antioxidant performance of HG with longer alkyl chain was superior to the OG and DG, making the former a good candidate to be used as antioxidant additive in PP. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2014, 131, 39850.
BaTiO3-RELATED FERROELECTRIC THIN FILMS BY POLYMER ASSISTED DEPOSITION

ABSTRACT Epitaxial films of Ba1 - xSrxTiO3 (BST) and BaTi1 - xZrxO3 (BZT) have been grown using polymer assisted deposition. Lattice parameters of the BST films with different Ba/Sr ratio showed bulk like behavior, indicating that the films were relaxed. Dielectric properties of the BST films are comparable to the films grown by pulsed laser deposition. Highest dielectric tunability of 69% (at room temperature) has been obtained for Ba0.7Sr0. 3TiO3 film, which is the phase boundary of the tetragonal and cubic phases. The dielectric properties of BaTi0.5Zr0. 5O3 film showed relaxor like behavior.
A high-pressure Raman spectroscopic study of hafnon, HfSiO4

Abstract Raman spectra of synthetic HfSiO4 were determined to pressures of 38.2 GPa. Changes in the spectra indicate that HfSiO4 undergoes a room-temperature phase transition from the hafnon structure (I41/amd space group) to the scheelite structure (I41/a space group) at a pressure of ~19.6 GPa. Upon release of pressure to ambient conditions, the spectra indicate that the sample retains the scheelite structure. Zircon has been classified previously as the least compressible tetrahedrally coordinated silicate known. However, pressure derivatives of the peak positions in hafnon are smaller than those in zircon, and suggest that hafnon is more incompressible than zircon. Furthermore, the pressure derivatives also suggest that the high-pressure, scheelite-structured HfSiO4 phase is more incompressible than the scheelite-structured ZrSiO4 (reidite). Thus, the post-hafnon phase appears to be even more incompressible than hafnon, which would make it the least compressible tetrahedrally coordinated silicate known to date.
Sensitive and highly specific detection of Cronobacter sakazakii based on monoclonal sandwich ELISA

A sensitive and specific monoclonal antibody-based sandwich enzyme-linked immunosorbent assay (ELISA) was established to detect the Cronobacter sakazakii. A pair of monoclonal antibodies (mAbs) selected from mAbs produced by 11 murine hybridomas was selected for the sandwich ELISA procedure. Targets of two mAbs were 100 kDa and 42 kDa protein extracted from the bacteria, respectively, which were proved by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) and immunoblotting analysis. The limit of detection of this method was established as 1 × 104 cfu/mL, and the linear range from 1 × 105 to 1 × 108 cfu/mL. In the real sample test, 1 cfu/g C. sakazakii was detected in artificially contaminated powdered infant formula with 4 h enrichment.
Mid-infrared, broadly tunable, active hyperspectral imaging system for the detection of gaseous hydrocarbon species

We describe a compact mid-infrared active spectroscopic imaging system for the rapid, stand-off detection of gas / chemical agents. Based upon the back-scatter absorption gas imaging (BAGI) technique, the system utilises a miniaturised, extremely efficient all solid state intracavity optical parametric oscillator (OPO) as the imaging illumination source. The OPO produces up to 250mW of tunable radiation in the signal and idler fields over the range 1.3-4. 5μm, for a diode pump power of only 3W. Due to the nature of the nonlinear crystal employed within the OPO, the system can be tuned across its spectral range in ~1 second. We obviate the very high cost and complexity of a cooled MCT or InSb video array by raster-scanning the collimated illumination beam over the area of interest and reconstructing the image by sampling the back-scattered radiation with a single element MCT photo-detector at each pixel point. This approach also improves the ultimate signal to noise ratio. Video-like frame rates of 10 f.p.s. have been demonstrated via this technique. The range limit of the instrument is currently <10 meters which is limited by the detector we currently employ. We demonstrate how the system has been used to detect, in real time, leaks of multi-species hydrocarbon gases.
Metabolism and Disposition of [14C]1-Nitronaphthalene in Male Sprague-Dawley Rats

In rats and mice, 1-nitronaphthalene (1-NN) produces both lung and liver toxicity. Even though these toxicities have been reported, the metabolism and disposition of 1-NN have not been elucidated. Therefore, studies were performed to characterize its fate after i.p. and i.v. administration to male Sprague-Dawley rats. After i.p. administration of [ 14 C]1-NN (100 mg/kg; 60 mCi/kg), 84% of the dose was eliminated in the urine and feces by 48 h. At 96 h, 60% of the dose was recovered in the urine, 32% in the feces, and 1% collectively in the tissues, blood, and gastrointestinal contents. The terminal phase rate constant (kterm) of 1-NN was 0.21 h 21 , the terminal phase half-life (T1/2,term) was 3.40 h, and the systemic bioavailability was 0.67. When administered i.v. (10 mg/kg; 120 mCi/kg), 85% of the dose was eliminated in the urine and feces by 24 h. At the end of the study (96 h), 56% of the dose was recovered in the urine, 36% in the feces, and 1% collectively in the tissues, blood, and gastrointestinal contents. Interestingly, 88% of the dose was secreted into bile by 8 h. The kterm was 0.94 h 21 and the T1/2,term was 0.77 h. The major urinary metabolite after both routes of administration was N-acetyl-S-(hydroxy-1-nitro-dihydronaphthalene)-Lcysteine. Other urinary metabolites identified include hydroxylated, dihydroxylated, glucuronidated, sulfated, and reduced metabolites, as well as dihydrodiol. The major biliary metabolite was hydroxyglutathionyl-1-nitro-dihydronaphthalene. These data show that 1-NN undergoes extensive metabolism and enterohepatic recirculation, and the majority of the dose is eliminated in the urine.
Partially Premixed Turbulent Combustion Model Based on Joint Statistics of Progress Variable, Mixture Fraction, and Scalar Dissipation Rate

The authors use a probability density function method in which a transport equation for thejoint probability density function of velocity, turbulence frequency, progress variable, mixture fraction, and enthalpy was solved. Based on a new combustion model, this information was used to obtain the joint statistics of the compositions. The extinction and reignition of fluid particles is controlled by a particle progress variable and its scalar dissipation rate. Precomputed flamelets are only employed for particles in the flammable mixture fraction range. Outside of this range, the particle enthalpy is evolved by a mixing model (similar to the mixture fraction). Numerical test cases of lifted turbulent diffusion flames with a considerable amount of local extinction show the ability of the model to account for the major physical effects and comparisons with experimental data show good agreement.
Evaluation of comparative antioxidant potential of aqueous and organic fractions of Ipomoea carnea

The methanolic extract of Ipomoea carnea Jacq. was dissolved in distilled water and partitioned with n-hexane, chloroform, ethyl acetate and n-butanol successively. The antioxidant potential of all these fractions and remaining aqueous fraction was evaluated by four methods: DPPH free radical scavenging activity, total antioxidant activity, FRAP assay and ferric thiocyanate assay and total phonolics were also determined. All the fractions showed significant antioxidant potential. The results revealed that n-butanol fraction showed highest value of % inhibition of DPPH radical (91.11% ± 0.68), IC50 of n-butanol fraction was 74.65 ± 1.4 µg/ml, relative to butylated hydroxytoluene (BHT), having IC50 of 12.1 ± 0.92 mg/mL. The chloroform soluble fraction showed highest total antioxidant activity (0.9096 ± 0.1) and highest total phenolic contents (113.05 ± 1.2 mg of gallic acid equivalents) as compared to other fractions. The ethyl acetate soluble fraction exhibited highest FRAP value (511.99 ± 1.8 µg of trolox equivalents) as well as highest value of inhibition of lipid peroxidation (61.87% ± 1.2) as compared to other fractions. Key words: Ipomoea carnea Jacq. , DPPH assay, total antioxidant activity, FRAP value, total phenolics, Inhibition of lipid peroxidation (%).
Survey of Properties of Key Single and Mixture Halide Salts for Potential Application as High Temperature Heat Transfer Fluids for Concentrated Solar Thermal Power Systems

In order to obtain high energy efficiency in a concentrated solar thermal power plant, more and more high concentration ratio to solar radiation are applied to collect high temperature thermal energy in modern solar power technologies. This incurs the need of a heat transfer fluid being able to work at more and more high temperatures to carry the heat from solar concentrators to a power plant. To develop the third generation heat transfer fluids targeting at a high working temperature at least 800 ℃, a research team from University of Arizona, Georgia Institute of Technology, and Arizona State University proposed to use eutectic halide salts mixtures in order to obtain the desired properties of low melting point, low vapor pressure, great stability at temperatures at least 800 ℃, low corrosion, and favorable thermal and transport properties. In this paper, a survey of the available thermal and transport properties of single and eutectic mixture of several key halide salts is conducted, providing information of great significance to researchers for heat transfer fluid development.
Study on the hydrolysis mechanism of phosphodiesterase 4 using molecular dynamics simulations

We carried out NPT molecular dynamics simulations in an explicit solvent to better understand the mechanism of cyclic adenosine monophosphates (cAMP) hydrolysis by phosphodiesterase 4 (PDE4) enzyme on atomic details and to obtain information on the dynamics characteristic of the catalytic domains of PDE4. In analyzing the water hydrogen-bond network around the active site, we also showed the importance of water in drug–protein interactions. In addition, we reported the characteristics of the hydration pattern and the dynamic distance distribution around the interesting residues. The results indicated that Asp318 plays the role of a general base that can activate water molecule for nucleophilic attack on cAMP. As expected, His160 plays the role of a proton donor for cAMP.
Dimers, Clusters, and Condensation in Free Jets. II

Supersonic jets of Ar, Kr, N2, O2, NO, CO, SO2, and CO2 formed by expansion from sonic orifices and conical nozzles into a vacuum were studied with a mass spectrometer, ionization gauge, and free‐stream velocity analyzer. As the source pressure was raised, the dimer, trimer, etc., signals increased until they attained maxima and then declined. Following the sharp rise of the clusters, the monomer velocity increased, indicating that some of the heat of condensation is transferred into translational energy of the remaining monomers. For source conditions where the dimers, trimers, etc., peak, it is postulated that the rate of growth of supercritical nuclei increases at the expense of subcritical clusters, with the consequence of a relative decline in the smaller cluster concentrations. The source pressure, at which the monomer velocity increases and the dimers peak, shifts with d−q (d = orifice diameter) and T0r (T0=source temperature), where q≃ 0.55 for most gases and r=2.2± 0.2 for argon and 2.7± 0.2 for .
Determination of Total and Fluoride Bound Aluminium in Tea Infusions by Ion Selective Electrode and Flame Atomic Absorption Spectrometry

ABSTRACT Speciation of metallic compunds is important especially for their bioavailability. In this present study fluoride bound aluminium species were determined in tea infusion. Total aluminium was measured using flame atomic absorption spectrometry (FAAS). Free fluoride and total fluoride were measured by fluoride selective ion electrode (FISE) with the assistance of TISAB buffer solution used for adjustment of pH and total ionic strength, and ALCOA buffer solution which decomposes all of the Al-fluoride complexes in solution. During the studies, the effects of pH and time on the formation of Al-F complexes and interference of some metal ions found in tea infusion such as Al3+, Mg2+, Fe2+, Fe3+ and Mn2+ on the concentration of free fluoride were investigated. The concentration of each Al-fluoride complexes in tea fusion were determined indirectly by calculation using pF-Mole Fraction Diagram. It was found that 1.13±0.15 mg 1− of 12.00±0.86 mg 1− total aluminium is fluoride bound aluminium, which means that appoximately 10% of total aluminium in tea infusion is complexed with fluoride.
Improving the Crystallization Resistance of Aluminum(III) 8-Hydroxyquinoline-Based Emitting Materials by Entropic Stabilization

The morphological stability of evaporated films of aluminum(III) 8-hydroxyquinoline (Alq 3 ) was investigated. Films which were found to be non-crystalline by x-ray diffraction upon deposition, crystallized rapidly upon annealing, especially where defects were present. Blends of Alq 3 with aluminum(III) 5-methyl-8-hydroxyquinoline were proposed for thermally stable amorphous emitting layers in light-emitting diodes. Films coevaporated at a 1:1 ratio did not show evidence of crystallization or phase separation even after long annealing periods at temperatures as high as 160°C.