Miracle-dz/UniFAR-FTUs huggingface dataset:
Selective extraction of neutral nitrogen compounds found in diesel feed by 1-butyl-3-methyl-imidazolium chloride

To produce ultra low-sulfur gasoline and meet the new regulations, the improvement of the HDS reaction by the removal of inhibitors, like nitrogen-containing compounds (N-compounds) commonly found in middle distillates used for diesel feed, could be worth considering. Liquid–liquid extraction using 1-butyl-3-methyl-imidazolium chloride (BMIm+Cl−) was found to be a very promising approach for the removal of neutral N-compounds with high selectivity towards sulfur. BMIm+Cl− was first evaluated using synthetic solution with dibenzothiophene and carbazole as model compounds, and a high selectivity for N-compounds was found. In order to explain the observed selectivity, the extraction of heterocyclic aromatic compounds from a hydrocarbon mixture by BMIm+Cl− was studied as the function of the toluene/n-dodecane ratio. The extraction of sulfur-containing compounds and basic N-compounds decreased when the mass fraction of toluene increased, whereas the extraction of proton donor N-compounds was found to be almost independent of the mass fraction of toluene. We thus assumed that the selective extraction of indole and carbazole by BMIm+Cl− could be explained both by electron pair acceptor properties of the imidazolium ring and by the binding of the hydrogen-donor group with chloride anion of the RTIL. BMIm+Cl− was then evaluated using straight-run diesel feed, containing 13400 ppm S and 105 ppm N. An extraction of up to 50% of the N-compounds was obtained in one step, whereas the sulfur concentration reduction was only 5%. The selectivity of the extraction process towards heterocyclic aromatic compounds and polyaromatic compounds using BMIm+Cl− was further emphasized by two-dimensional GC-MS analysis of the extracted compounds.
Thermodynamic Analysis of Polycation−DNA Interaction Applying Titration Microcalorimetry

Nonviral gene delivery systems based on DNA complexes with polycations have recently been extensively studied. An important consideration in the design of such therapeutic systems is the understanding of forces governing the DNA−polycation interaction and the complex stabilization. In this work, the interaction of a cationic polymer from the poly(amidoamine) family (poly(bis-acryloylpiperazine-2-methyl-piperazine), p(BAP-2MP)) with DNA at different salt concentrations and pHs and in different buffers was studied using isothermal titration microcalorimetry as a principal tool. The binding isotherms were analyzed using a proposed complexation−condensation model, to calculate the observed binding constant, Kobs, enthalpies of the complex formation and condensation process, and , and complexation site and condensation site exclusion sizes, ncom and ncon, respectively. Kobs, , and decreased with increasing salt concentration, indicating involvement of electrostatic interactions. However, ncom was rather indepe.
Ionic Liquids: How Far Do they Extend the Potential of Solvent Extraction of f-Elements?

Applicability of room temperature liquids (RTILs) as diluents in the solvent extraction of f-elements is reviewed. Characteristics of selected RTILs, important for such an application, are gathered. Properties tabulated are the melting and freezing points, density, mutual solubility with water, viscosity, surface tension, specific conductivity, and radiation stability. Properties such as environmental compatibility, toxicity, chemical and thermal stability, biodegradability, and chemical degradability imply that RTILs are not harmless to the environment or to work safety. The extraction efficiency and mechanism in systems involving RTILs is described, discussed, and compared with systems involving molecular diluents. Particularly assessed is the extraction of nitric acid by RTILs alone and TBP, the extraction of U(VI), Ce(IV), Pu(IV), Am(III), and lanthanides(III) by RTILs alone, the extraction of U(VI), Ce(IV), actinides(III,IV), and lanthanides(III) by solvating O-donors, the extraction of Eu(III) by a solvating N-donor, the extraction of lanthanides(III) and Am(III) by acidic extractants, and the extraction of actinides(III,IV) and lanthanides(III) by task specific ionic liquids.
Comparison of the reflectances of black plant fragments in melanic Andisols with those of fresh charcoal from modern fires

Abstract We investigated the reflectances of black plant fragments in melanic Andisols and of fresh charcoal produced during modern grassland and forest fires with the aim of clarifying the origin of fragments in melanic Andisols. The reflectance values of most Andisol plant fragments were less than 2%; all values were below 3%. These values are considered to have formed at temperatures of at least 200°C, indicating that these fragments are charcoal fragments. The reflectances of the fragments in melanic Andisols were similar to those of grass charcoal from grassland fires rather than wood charcoal produced during forest fires. This finding indicates that most charcoal fragments in melanic Andisols are the product of grassland fires. The small difference between the reflectance values of the charcoal fragments in the Andisols and the grass charcoal is possibly derived from the fact that charcoal fragments with lower reflectance are more likely to be retained in the soil than fragments with higher reflectance values.
Microstructural Characterization of Bombyx mori Silk Fibers

The microstructure of Bombyx mori silk fibers before and after degumming was examined by transmission electron microscopy (TEM), selected area electron diffraction (SAED), wide-angle X-ray scattering (WAXS), and low-voltage high-resolution scanning electron microscopy (LVHRSEM). LVHRSEM micrographs of the neat cocoon revealed a network of pairs of twisting filaments. After degumming, there were only individual filaments showing a surface texture consistent with an oriented fibrillar structure in the fiber interior. WAXS patterns confirmed the oriented β-sheet crystal structure common to silkworm and spider (dragline) silks. Low-dose SAED results were consistent with the WAXS data and revealed that the crystallographic texture did not vary significantly across the fiber diameter. TEM observations of individual microtomed fibers indicated a nominally triangular cross section and a 0.5−2 μm sericin coating. After degumming to remove the sericin, a banded feature was revealed with a characteristic spacing of .
Spectral Response of Opal-Based Dye-Sensitized Solar Cells

Herein we present an experimental study of the spectral dependence of the photogenerated current of opal-based solar cells. We analyze the incident photon-to-current conversion efficiency (IPCE) for dye-sensitized solar cells in which colloidal crystals are introduced in different configurations. We prove that a dye-sensitized nanocrystalline titanium oxide electrode moulded in the shape of an inverse opal shows a decrease of efficiency for the spectral region in which a photonic stop band opens up. Contrarily, when a standard thin film of disordered titania nanocrystallites is coupled to an inverse opal, the mirror effect of the photonic crystal at band gap frequencies increases the light harvesting efficiency of the cell and thus the IPCE. This effect is further demonstrated by coupling an inverse opal multilayer to a homogeneous electrode, with two well-defined spectral ranges of increased photogenerated current being detected.
Behaviour of Volatile Compounds During Traditional Alembic Distillation of Fermented Muscat Blanc and Muškat Ruža Porečki Grape Marcs

J. Inst. Brew. 117(3), 440–450, 2011 To investigate the behaviour of volatile compounds during a traditional alembic distillation, large numbers of important volatile compounds were identified and quantified by GC/MS and GC/FID analysis in different fractions of grape marc distillates made from two Muscat varieties. Generally, concentrations of terpenes, C13-norisoprenoids, acids and particular waxy esters and aldehydes were found to increase, while concentrations of higher alcohols and the majority of fruity and flowery esters were found to decrease during distillation. Because of the abundance in odoriferous monoterpenes, utilization of the tail fraction as a raw material for re-distillation was considered appropriate.
Funções de pedotransferência para predição da umidade retida a potenciais específicos em solos do estado de Pernambuco

Pedotransfer functions are equations used to estimate soil properties of difficult determination, based on other, more easily obtained soil properties. In spite of the considerable number of equations available to predict moisture retention to specific matrix potentials, these should not be used indiscriminatley,since most of them were developed in temperate climate soils, using data obtained by method that differ from the ones used in Brazilian laboratories. The objectives of this study were: (a) to develop pedotransference functions to estimate water retention at potentials between -33 and -1,500 kPa and water availability, using particle size distribution and global density data from soils of Pernambuco State, and (b) to compare the prediction efficiency of the new equations with similar equations available in literature. A database of 467 soil horizons from 98 soil profiles was used to develop the equations. The profiles were grouped, according to the Brazilian Soil Classification System, in 27 third category level classes (great group) The obtained equations showed worthwhile determination coefficients and low prediction standard error. Data grouping according to clay fraction, approximated development rate or textural class, did not improve the prediction capacity of the pedofunctions. The equations proposed in other works presented high prediction errors and are not recommended for soils of Pernambuco State.
BARRA ALIMENTÍCIA COM ELEVADO VALOR PROTEÍCO: FORMULAÇÃO, CARACTERIZAÇÃO E AVALIAÇÃO SENSORIAL

Cereal bars were introduced over a decade ago as an alternative of healthy confectionery. In addition, the consumption of functional foods has increased significantly, contributing to the emergence of new products. In this way, the present study aimed to development a cereal bar with high protein and low lipid content, to meet a growing consumers demand that seek a feeding more healthy. The physiochemical characterization of the cereal bar revealed that the obtained product presents high content of proteins (15,5%) and fibers (6,4%), besides had a relatively low lipidid content (2,23%). This properties suggests that the product can be a good option for nutritional suppementation. Furthermore, the formuled product presented good sensorial acceptability by the color, flavor, aroma, texture and global quality. It was verified an aceitability index higher than 90 % for the global quality atribute. Key-words: Cereal bars; protein; sensory evaluation.
SELECTIVE REMOVAL OF CESIUM FROM HIGHLY CONCENTRATED SODIUM NITRATE NEUTRAL SOLUTIONS BY POTASSIUM NICKEL HEXACYANOFERRATE(II)-LOADED SILICA GELS

ABSTRACT Potassium nickel hexacyanoferrate(II) (KNiFC)-loaded silica gels were prepared by successive impregnation of macro pores with Ni(NO3)2, and K4Fe(CN)6 solutions. The KNiFC precipitates uniformly dispersed in the matrix of silica gel, and the loading percentage of KNiFC increased with the number impregnation cycles. The uptake of Cs+ on KNiFC-loaded silica gels (SLFC) attained equilibrium within 2 d, and relatively large distribution coefficients of Cs+, Kd,cs, above 104 cm3/g, were obtained even in the presence of 5 M NaNO3. The ion exchange of K+ Cs+ in SLFC followed a Langmuir-type isotherm and the maximum uptake amount of Cs+ was estimated to be 0.305 mmol/g. The breakthrough curve of Cs+ through a column packed with SLFC exhibited a favorable S-shaped profile. This exchanger proved to be effective for the selective removal of radioactive cesium from neutral waste solutions containing highly concentrated NaNO3.
Development of a Countercurrent Multistage Fluidized-Bed Reactor and Mathematical Modeling for Prediction of Removal Efficiency of Sulfur Dioxide from Flue Gases

A bubbling countercurrent multistage fluidized-bed reactor for the sorption of sulfur dioxide by hydrated lime particles was simulated employing a two-phase model, with the bubble phase assumed to be in plug flow and with the emulsion phase either in plug flow (EGPF model) or in perfectly mixed flow (EGPM model). The model calculations were compared with experimental data in term of percentage removal efficiency of sulfur dioxide. Both models were applied to understand the influence of operating parameters on the reactor performance. The comparison showed that the EGPF model agreed well with the experimental data. From the perspective of use of a multistage fluidized-bed reactor as air pollution control equipment in industry, the model could be considered general enough for predicting the performance of reactors for gas−solid treatment.
TG-FTIR Study of the Influence of potassium Chloride on Wheat Straw Pyrolysis

The interest in utilizing biomass as a CO2 neutral fuel by combustion, gasification, or pyrolysis processes is increasing due to concern about the emission of greenhouse gases from fossil fuel combustion. In thermal fuel conversion, pyrolysis is an important step which determines the split of products into char, tar, and gas. In this work, a combination of thermogravimetry and evolved gas analysis by Fourier transform infrared analysis (TG-FTIR) has been applied to study the influence of potassium chloride (KCl) on wheat straw pyrolysis. Raw straw, washed straw, and washed straw impregnated with KCl have been investigated. To facilitate interpretation of the results, pyrolysis of biopolymers (cellulose, xylan, lignin) in the presence and absence of KCl was investigated as well. The raw straw decomposed in a single broad featureless peak. By washing, two peaks appeared in the derivative weight loss curve, corresponding to the decomposition of hemicellulose and cellulose components in the straw. Washing red.
Effect of Material Moisture Content and Temperature on the True Density of Foods

Published values of food properties, such as true density, bulk density, and porosity in various foods were collected from the literature and classified in a previous work. These values of the true density were processed in order to reveal the influence of material moisture content and temperature. A simple mathematical model, relating true density to material moisture content and temperature, was developed and fitted to all examined data for each material. The data were carefully screened using residual analysis techniques. The correlation results for true density of nine materials are presented in this article.
Revision of the NMR Assignments of Pterostilbene and of Dihydrodehydrodiconieferyl alcohol: Cytotoxic Constituents from Anogeissus acuminata

Abstract Further phytochemical work on Anogeissus acuminata var. lanceolata (Combretaceae) led to the isolation of pterostilbene (1), dihydrodehydrodiconiferyl alcohol (2), and conocarpan (3). The structure of these compounds were determined by spectroscopic means, mainly through 1D and 2D NMR experiments. A revision of some of the 13C NMR chemical shifts of 1 and 2 were made possible by HETCOR, FLOCK, and selective INEPT experiments. Homonuclear spin-decoupling and 1H-1H COSY experiments also enabled the precise assignment of the 1H NMR chemical shifts of 2. Compounds 1–3 exhibited in vitro cytotoxicity in various cancer cell lines. This is the first isolation of 1–3 from Anogeissus.
Optical properties of GaN wurtzite quantum wires

The electronic structure and optical properties of freestanding GaN wurtzite quantum wires are studied in the framework of six-band effective-mass envelope function theory. It is found that the electron states are either twofold or fourfold degenerate. There is a dark exciton effect when the radius R of GaN wurtzite quantum wires is in the range of [0.7, 10.9] nm. The linear polarization factors are calculated in three cases, the quantum confinement effect (finite long wire), the dielectric effect and both effects (infinitely long wire). It is found that the linear polarization factor of a finite long wire whose length is much less than the electromagnetic wavelength decreases as R increases, is very close to unity (0.979) at R = 1 nm, and changes from a positive value to a negative value around R = 4.1 nm. The linear polarization factor of the dielectric effect is 0.934, independent of radius, as long as the radius remains much less than the electromagnetic wavelength. The result for the two effects shows that the quantum confinement effect gives a correction to the dielectric effect result. It is found that the linear polarization factor of very long (treated approximately as infinitely long) quantum wires is in the range of [0.8, 1]. The linear polarization factors of the quantum confinement effect of CdSe wurtzite quantum wires are calculated for comparison. In the CdSe case, the linear polarization factor of R = 1 nm is 0.857, in agreement with the experimental results (Hu et al 2001 Science 292 2060). This value is much smaller than unity, unlike 0.979 in the GaN case, mainly due to the big spin–orbit splitting energy Δso of CdSe material with wurtzite structure.
Effects of Δ9‐tetrahydrocannabinol on serum thyroxine concentrations in the rat

Lomax (1970) previously investigated the effects of cannabis extract on the pituitary-thyroid axis by measuring the release of radiolabelled iodine (W) from rat thyroid gland. His findings showed that acute intraperitoneal administration of cannabis extract (containing 2.5 mg A*-THC kg-' plus other undetermined cannabis constituents) inhibited the release of 13'1 from thyroid gland. Lomax further concluded that a site of drug action involved in this phenomenon lay somewhere in the central nevous system, since cannabis inhibition of iodine released from thyroid gland could be prevented by treatment with thyroid stimulating hormone (TSH) or electrolytic lesions in the caudal hypothalamus. The present study attempts to confirm and extend those findings by characterizing the nature of changes in circulating thyroxine concentrations following various schedules of THC treatment. Total serum thyroxine concentrations of male Holtzman rats (250-350 g) were determined by use of Tetrasorb-125 diagnostic kits (Abbott Laboratories). The efficacy of this assay system was tested on three groups of rats following manipulations to stimulate conditions of euthyroidism, hypothyroidism, and hyperthyroidism (see Table 1). Blood samples were drawn (5-10 ml) by cardiac puncture. The data in Table 1 indicate the sensitivity of the assay technique is suitable to measure changes in circulating thyroxine concentrations in the rat.
Energy dissipation in matrix‐isolated silver atoms: A time‐resolved fluorescence study

The fluorescence from optically excited Ag atoms in Ar, Kr, and Xe matrices has been investigated in a time‐resolved synchrotron‐radiation study. A detailed energy dissipation model could be established from a systematic analysis of rise and decay times of all the observed fluorescence bands after pulsed excitation into the Ag (4d105p)2P1/2,3/2 levels, and by setting time windows between the excitation pulses in emission and emission‐yield spectroscopy. Although the overall wavelength dependence of the decay time follows the λ3 law, the decay time is independent of λ within a given emission band. Finally, the role of energy transfer between Ag atoms and dimers for the evaluation of decay times is briefly addressed.
The Kinetics of Phase Transitions in Binary Systems

A kinetic theory of phase transitions in two‐component systems is presented which is applicable to the transitions, vapor to liquid and liquid to liquid. The rate of the transition is characterized by a two‐dimensional vector which can be used in conjunction with the equation of continuity to develop a partial differential equation which determines the kinetics of the process.A new type of energy surface is introduced, and an investigation of its salient features enables one to simplify the solution of the differential equation mentioned above. This purely kinetic treatment makes possible the evaluation of the unknown coefficient found in the older quasi thermodynamic treatment of transition rates in two component systems.
A Guaianolide Sulfate Conjugate and Other Constituents from Taraxacum alpinum

The new guaianolide 8-deacetylmatricarin-8-O-sulfate conjugate in free acid and crystalline sodium salt forms, along with six known sesquiterpene lactones and three known phenolics were isolated from Taraxacum alpinum. The compounds were characterized by chemical and spectral methods. This is the first report on sulfated sesquiterpene lactones from Taraxacum species.
O papel dos sulfetos volatilizados por acidificação no controle do potencial de biodisponibilidade de metais em sedimentos contaminados de um estuário tropical, no sudeste do Brasil

Measurements of acid volatile sulfide (AVS) and simultaneously extracted metals (SEM) were combined in order to verify the ecological hazard of contaminated sediments from the Santos-Cubatao Estuarine System (SE Brazil), which is located in one of the most industrialized areas in the Latin America. Intertidal sediments from the Morrao River estuary were collected seasonally in short cores. The redox conditions, organic matter contents and grain-size were the main controlling factors on SEM distribution. However, clear relationships among these variables and AVS were not observed. The molar SEM/AVS ratios were frequently > 1 especially in the summer, suggesting major metal bioavailability hazard in this humid hot season.
Reconstruction of Heat Release Response of Partially Premixed Flames

The forced response of a swirl-stabilized, partially premixed flame to inlet velocity and equivalence ratio oscillations was experimentally investigated in a model lean premixed gas turbine combustor. The responses of a premixed flame to three different forcing mechanisms were studied: velocity oscillations, equivalence ratio oscillations, and the combination of velocity and equivalence ratio oscillations. The overall heat release response of the flame was determined from measurements of the CH* chemiluminescence emission intensity from the entire flame, while the response of the spatially distributed heat release was determined from phase-synchronized chemiluminescence images. In addition, simultaneous measurements were made of the inlet velocity and equivalence ratio oscillations using the 2-microphone method and an IR absorption technique, respectively. The results show that in the linear regime, the response of a partially premixed flame to simultaneous velocity and equivalence ratio oscillations can be reconstructed from independent measurements of the flame's response to velocity oscillations and to equivalence ratio oscillations using a vector summation method. This is the first experimental demonstration of a 2-input 1-output model of a swirl-stabilized partially premixed flame. It suggests that the response of a partially premixed flame is governed by four physical parameters (i.e., the oscillation frequency, the amplitude of velocity oscillation, the amplitude of equivalence ratio oscillation, and the phase difference between the two oscillations). As a result, the heat release response of a partially premixed flame can be amplified or damped, depending on the phase difference between the velocity and equivalence ratio oscillations at the combustor inlet.