Miracle-dz/UniFAR-FTUs huggingface dataset:
High pressure-induced structural effects in plastic packaging

Today, flexible vacuum packages are predominantly used for products to be subjected to high pressure treatment. However, tray packages with a modified atmosphere are in demand, which provide a high failure rate with respect to gas and water vapour permeability and packaging integrity. Methods to follow permeation processes under high pressure were developed and used together with optical microscopy, confocal scanning laser microscopy, Raman spectroscopy and atomic force microscopy to identify the mechanisms for changes in permeability and damage to the packaging materials. Single film samples and pouch packages filled with model products were studied. Results indicate a reversible decrease in the coefficients of diffusion and permeation under the impact of high pressure, due to the compression of the polymeric bulk. Irreversible changes in the polymeric materials are associated with gases in the packaging head space, which cause high local temperatures and create damage due to rapid deliberation upon the pressure drop at the end of the high pressure cycle.
TEOM: A Unique Technique for Measuring Adsorption Properties. Light Alkanes in Silicalite-1

A new and fast technique, the tapered element oscillating microbalance, TEOM, has been applied to accurately measure adsorption in microporous materials at conditions relevant for practical applications. With this technique, the experimental data are not influenced by factors such as buoyancy and flow patterns, which are encountered with conventional gravimetric methods. The equilibrium adsorption of light alkanes, methane, ethane, propane, n-butane, and i-butane in silicalite-1 has been investigated using the TEOM technique. Single-component adsorption isotherms are reported at temperatures in the range from 303 to 473 K and at pressures of up to 500 kPa. Either a conventional or a double Langmuir isotherm appropriately describes the equilibrium data. Thermodynamic properties calculated from the isotherms are in excellent agreement with literature data from other techniques. Isobaric and isothermal experiments demonstrate that i-butane exhibits a two-step adsorption behavior. Based on geometry and entrop.
Hydrogenation of benzene, mono‐, di‐, and trimethylbenzenes over nickel catalysts supported on porous glass

The hydrogenation of benzene and methyl-benzenes was performed over a nickel catalyst supported on the porous glass prepared from borosilicate glass with an alumina content ranging from 3% to 5%. The micropore size of the porous glass decreased with increasing alumina content. Although the overall reaction rates of benzene and toluene did not significantly change with the alumina content in the borosilicate glass, the rate of 1,3,5-trimethylbenzene, which is the bulkiest molecule among the hydrocarbons tested, decreased as the content of the alumina in the support increased. This result indicates that a catalyst support with molecular shape selectivity can be prepared from borosilicate glass containing alumina. On a effectue l'hydrogenation du benzene et de methyle-benzenes sur un catalyseur au nickel depose sur du verre poreux prepare a partir de verre au borosilicate ayant une teneur en alumine comprise entre 3 et 5%. La dimension des micropores du verre poreux diminue quand la teneur en alumine augmente. Bien que les vitesses de reaction globales du benzene et du toluene ne change pas de maniere significative avec la teneur en alumine dans le verre au borosilicate, la vitesse du 1,3,5-trimethylebenzene, la molecule la plus volumineuse parmi les hydrocarbures testes, diminue a mesure que la teneur en alumine du support augmente. Ce resultat montre qu'un support de catalyseur possedant une selectivite de forme moleculaire peut ětre prepare a partir de verre au borosilicate contenant de l'alumine.
Metal Adatoms Induced Stability, Electronic and Magnetic Behaviors on Graphene

The formation energy, geometry, magnetic properties and electronic structure of metal adatoms (Cu and Pt) on graphene have been studied using first-principles method based on density-functional theory with the generalized gradient approximation. It is found that the bridge site is the most stable adsorption site of metal adatom on graphene, and the adatoms caused the distortion of graphene layer. The formation energy of Pt adsorption on graphene is larger than that of Cu on graphene. An isolated Pt atom appears to be usually magnetic, however, its magnetic behavior vanishes when it is absorbed on graphene. The spin-resolved density of states of C atoms in graphene are symmetric exhibiting no magnetism. In contrast, the Cu-graphene exhibits magnetic behaviors, and the Cu adatom induces magnetism on the C atoms in the graphene. The magnetic properties of graphene can be tuned by the different metal atoms adsorption.
Electrodeposition of Mesoporous Co3O4 Nanosheets on Carbon Foam for High Performance Supercapacitors

Metal oxide nanosheets have promising potential applications in novel energy storage devices. In this work, Co3O4 nanosheets/carbon foam with excellent supercapacitor characteristics was successfully fabricated, without using metal substrates. The experimental results demonstrate that the electrochemical tests showed that the as-prepared Co3O4 nanosheets exhibited an ideal capacitive behavior with a maximum specific capacitance of 106 F/g in 1 M NaOH solution at a scan rate of 0.1 V s−1.
Why folates self-assemble: a simulation-based study

Folates (and other chromonics molecules) have been shown to self-assemble into ordered structures even at low concentrations. In this study, simulations are used to first replicate the self-assembly of folates and understand why folic acid does not assemble while folate ions do. Subsequently, these simulations replicate the change in structure and behaviour of the assembly with increasing concentration of folates, comparing them to experimental observations in earlier studies. The study then uses fictitious molecules and ions to understand which components of the folate ions drive, or otherwise affect, assembly of the folates and to abstract some guiding principles about structure of chromonics molecules and the impact on assembly. This study shows that while the aromatic rings drive stacking, the hydrophilic groups help solvate and hence control the order of the aromatic stacks, and the 1-ring-diacid moiety controls the orientation of the ions in their plane.
DETERMINATION OF SULFAMETHAZINE AND ITS MAJOR METABOLITES IN EGG ALBUMIN AND EGG YOLK BY HIGH PERFORMANCE LIQUID CHROMATOGRAPHY

A quantitative liquid chromatographic method for the determination of sulfamethazine (SMZ), N4-acetyl sulfa-methazine (N4-acetyl-SMZ), and desamino sulfamethazine (desamino-SMZ) in egg albumin and egg yolk is described. Egg albumin or yolk was homogenized in acetonitrile and centrifuged. The supernatant was evaporated to dryness and residue reconstituted in the mobile phase. Albumin extract was directly analyzed by high performance liquid chromatography (HPLC). Hexane was added to the yolk sample, vortex mixed, and centrifuged to separate the layers. The top hexane layer was removed and a small amount of salt was added to break the emulsions. The lower aqueous layer was analyzed by HPLC. The HPLC system included a reversed phase column, a gradient mobile phase of 5–15% acetonitrile and 0.01M phosphate buffer, and a UV detector set at 268 nm. The recovery of SMZ and N4-acetyl-SMZ, both fortified at 1 ppm levels, from egg albumin was 101 and 88% and from egg yolk was 79 and 91%, respectively. The recovery o.
Soil Organic Matter Content and Quality in Polyfactorial Field Experiments

The polyfactorial long-term field experiments founded in 1979 exist in four different sites till the present time. The experimental design and selected variants have been described in our previous paper (Lipavsky et al. 2002). Besides of the organic carbon and nitrogen contents in soil, dry matter of the main and second products, nitrogen uptake by the main and second products presented in our previous paper (Lipavsky et al, 2002), hot water soluble carbon (C hwl ), humic substances, e.g. humic and fulvic acids have been determined in soil samples taken in autumn each year from six selected variants of organic and mineral fertilisation. The results of the hot water soluble carbon content and humic and fulvic acids contents in the air dried soil samples have been evaluated in this paper. It was shown that humic substances are rather conservative and site specific soil properties that are not much affected by the cropping and fertilisation systems. Hot water soluble carbon, on the other hand, seems to be a dynamic part of the soil organic matter.
Biphenylnitrile-Based Self-Assembled Monolayers on Au(111): Spectroscopic Characterization and Resonant Excitation of the Nitrile Tail Group

A series of biphenylnitrile-based self-assembled monolayers (SAMs) on Au(111) was characterized by several complementary spectroscopic techniques, including resonant Auger electron spectroscopy (RAES). In spite of the disturbing role of nitrile, the SAMs exhibited high-quality and expected structural behavior, including the odd−even effects, even though with a lower extent than in the analogous nonsubstituted or methyl-substituted systems. A characteristic feature of the target films, and presumably also a general feature of oligophenyl-based SAMs, is a significant twist of the molecular backbone, similar to the situation in the analogous molecular crystals. No perceptible signal related to tail group-to-substrate transfer of the resonantly excited electron was recorded in the RAES spectra of the target films, even though such a transfer is energetically allowed in some of the cases. This was tentatively explained by the hypothesis that the charge transfer time is too long and lies beyond the range access.
OPTIMIZATION OF DEHYDRATED EGG QUALITY BY MICROWAVE ASSISTED FREEZE‐DRYING AND HYDROCOLLOID INCORPORATION

Enhancement of the physical and sensory properties of rehydrated egg products as a consequence of microwave assisted freeze-drying and addition of hydrocolloids to the formulation was assessed. When compared to conventional freeze-drying (CFD), microwave assisted freeze-drying (MFD) led to products with greater water-holding capacity and reduced elastic modulus. Comparisons were also made of moisture sorption rates. The addition of xanthan gum and, to a lesser extent, microcrystalline cellulose increased both water-holding capacity and elastic modulus. Magnitude estimation by a trained texture panel of critical sensory properties (chewiness, rubberiness, moistness, moisture release, and roughness) revealed that MFD samples were superior to CFD samples and that MFD samples containing xanthan were closest to the optimal for the egg products. It was concluded that the more uniform and less heat stressing process of microwave assisted freeze-drying coupled with the presence of xanthan gum leads to a rehydrated product that best retains its structural integrity and ability to bind (reabsorbed) water and that, in turn, has highly acceptable textural properties most similar to fresh eggs.
Wormlike Polymer Brush: A Self-Consistent Field Treatment

We investigate a homopolymer brush system on the basis of the wormlike-chain model, incorporating an Onsager-type interaction between polymer segments in the excluded-volume interaction. The model depends on the ratio between the total polymer length and the persistent length and a reduced grafting density as two basic parameters. Our numerical solutions to the self-consistent field theory are compared with scaling properties that can be deduced in various limits. In the limit of long chain and weak-to-moderate grafting density, our numerical results follow the scaling power law predicted by the classical-trajectory theory of a flexible polymer brush. In the limit of long chain and high grafting density, our numerical results show that the brush properties are comparable to the conformational properties of a nematic wormlike solution. In the limit of rod brush, our numerical results are consistent with the solution of a trial-function treatment from a previous mean-field theory.
Change of free energy during adsorption of a molecule

A change of the Helmholtz free energy ΔA takes place when a molecule becomes adsorbed out of a bulk solution. The purpose of the paper is to explore routes for the calculation ofAA from molecular simulations. According toa derivation from the partition function, ΔA is equal to the change of the potential of mean force (PMF) which can be calculated via two different routes. First, the PMF can be obtained as a path integral over the mean force on the solute molecule which can be calculated via a simulation in which the solute molecule is fixed at a given position. Second, the PMF is related to the logarithm of the local density of the solute which can in principle be obtained via a simulation in which the solute molecule moves freely. Simulations are performed for a pure Lennard-Jones fluid and several dilute Lennard-Jones mixtures in contact with a plane Lennard-Jones wall. For the pure Lennard-Jones fluid, both simulation routes yield practically the same result for ΔA. In the case of the dilute solutions, however, simulations do not yield directly reliable local densities of the solute in those cases, in which there is not one very pronounced minimum in AA. On the other hand, the path integral over the mean force could be calculated always with reasonable accuracy to yield ΔA. Moreover, via the latter route also the local density of the dilute component can be obtained.
Zirconium(IV) tetramer/octamer hydrolysis equilibrium in aqueous hydrochloric acid solution

Small-angle X-ray scattering measurements were performed on zirconium acidic aqueous solutions to investigate the structure and the size of polynuclear species larger than the previously identified tetrameric species. Solutions with [H+]added and [OH-]added ranging from 0.0 to 1.0 M and 0.0 to 0.02 M, respectively, were analyzed. This study demonstrates that an octameric species, Zr8(OH)20(H2O)24Cl12, exists in equilibrium with the tetrameric species, Zr4(OH)8(H2O)16Cl62+, such that, for 0.05 M Zr(IV) in highly acidic solutions ([H+]added ≥ 0.6 M), the tetramer is the dominant species; and at conditions with [H+]added ≤ 0.05 M, the octameric species becomes predominant. The estimated value of the equilibrium quotient obtained for the tetramer/octamer equilibrium is 0.20 ± 0.05 M3. The tetramer and octamer have radii of gyration of 3.8 and 5.1 ± 0.2 A and a hydrolysis ratio of 2.0 and 2.5, respectively. The octamer forms by stacking two tetramers on top of each other. At conditions where small amounts of N.
Use of activated carbon for the recovery of chromium from industrial wastewaters

A technique for the removal and recycling of hexavalent chromium from electroplating industries was developed. It involves a two-phase process which consists of (1) the use of an activated carbon bed for the accumulation of chromium onto the surface of activated carbon followed by (2) the regeneration of the carbon leading to a concentrated chromium solution with potential for reclamation or reuse within the plating operation. Results from continuous flow experiments showed that in excess of 99% chromium removal efficiency can be achieved. It was also revealed that regeneration of the exhausted carbon under acidic conditions recovered chromium in the trivalent state with concentrations as high as 3 g dm -3 , more than 12 times the influent concentration. The adsorption capacity of the activated carbon was found to increase with successive cycles of adsorption/regeneration. However, when regeneration was achieved under alkaline conditions, the chromium was recovered in the hexavalent state with concentrations as high as 8.4 g dm -3 , in excess of 33 times the chromium influent concentration. In addition, under caustic regeneration conditions, the data showed that the adsorption capacity in this case decreases with the increased number of exhaustion cycles. Mass balance calculation for both acid and caustic regeneration indicated that in both cases the regeneration process was incomplete with a recovery efficiency averaging around 50%. In an attempt to maximise the recovery efficiency, a combination of caustic followed by acid regeneration was applied to the exhausted activated carbon and the results led to a drastic improvement in the total recovery process (85-98%). These results clearly show that activated carbon is a viable candidate for the removal and recovery of chromium from electroplating industries. The critical advantage in the use of activated carbon is (I) the ability to regenerate and thus prepare a concentrated chromium solution for potential reclamation or recycle to the plating operation, and (2) the potential of avoiding the generation of hazardous sludge for land disposal.
Optimization of the Abencor system to extract olive oil from irrigated orchards

Studying the composition of olive oil requires cold-press olive oil extraction. One of the most common laboratorial mills is the Abencor system. However, its operation protocol was formulated decades ago for Spanish olive varieties from traditionally rain-fed orchards. We modified this protocol for use with “Barnea” and “Picual” olives from irrigated orchards that are characterized by high water content. Independent effects of malaxation time, temperature, water addition and talc addition on extraction efficiency, and major quality indices of virgin olive oil were studied. Overall, addition of talc to the fruit paste was the most significant treatment in terms of yield and quality of the oil although its effect was cultivar dependent. Improved oil yield was particularly significant for “Picual. ” Extended malaxation time was also effective in improving oil extractability. Addition of talc generally improved oil-quality parameters, while water addition had the opposite effect. Yet, quality parameters remained within the extra virgin level. Temperature increments reduced oil quality. The need to adapt a modified protocol for use with fruits from irrigated orchards that will facilitate critical comparison of results obtained from different agronomic theses and different laboratories is highlighted. It is recommended that each laboratory develops an appropriate protocol for the operation of the Abencor system in accordance to the characteristics of the olive fruit they are working with. Practical applications: Abencor system serves as the major laboratorial mill world-wide. Those mills allow the researchers to characterize olive oil in accordance to the treatments received by the trees. This cannot be done in commercial mills. The system operation protocol was established decades ago for fruits from rain-fed orchards. In the past decade there was a rapid increase in the use of irrigation in olive orchards and therefore it is crucial to optimize the operation protocol for fruit with relatively high water content. In the current work we have evaluated the influence of a series of technological parameters (i.e., talc and water addition, malaxation time, and temperature) on the extraction efficiency and quality indices of olive oil. This allowed us to present a modified protocol for the Abencor system operation suitable for olive fruit of irrigated orchards that will facilitate a reliable representation of the influence of different treatments on the yield and characteristics of the olive oil.
Resistência do solo à penetração e desenvolvimento do sistema radicular do milho (Zea mays) sob diferentes sistemas de manejo em um Latossolo Roxo

The structural modifications caused by the different management systems to the soil can result in greater or lower compaction, which may change bulk density, porosity, water infiltration in the soil and crop root development. The present work aims to study the effects of structure soil moisture and soil resistance in the distribution of the corn root system in clay soil and under field condition, using conventional system (plowing plus leveler grille) for over 10 years, and no-tillage for over 20 years. Evaluations were carried out in "Dusky-Red Latosol" (Oxisol) in the northern region of Parana, Brazil which was cultivated with corn during the summer and wheat in the winter. The results showed that soil resistance penetration values greater than 3.5 MPa did not constrained the corn root system development, but influenced its morphology. No-tillage system presented better structural conditions for root development than the conventional tillage and its resistence was much more affected by its structural distribution than by the soil moisture content.
Physiological responses of two soybean cultivars to cadmium

Anthropogenic activities are increasing cadmium (Cd) concentrations in agricultural soils. Cadmium can be absorbed by plant roots and modify the physiology of the plant. Carbon exchange rate (CER) and leaf conductance to water vapor (g s ) were measured on the fifth leaf of two soybean (Glycine max [L.] Merr.) cultivars (Illini insensitive and Richland sensitive) for 6 consecutive days ; Cd(NO 3 ) 2 was added to the hydroponic solution to achieve a final concentration of 50 μmol. At the end of the experiment, stomata length and width, mesophyll limitation to photosynthesis, root hydraulic conductance, relative water content (RWC), and Cd concentration in leaves, stems, and roots were measured on treated and control plants. Cadmium progressively reduced CER and g s to about 50% after 6 d of treatment. This was more evident in Richland than in Illini and was not linked with leaf RWC and mesophyll limitation to photosynthesis. After 6 d, the apparent root hydraulic water conductivity was 67% lower in the Cd-treated plants than in controls. The primary mechanism affected by Cd-induced stress in soybean is root water uptake, and this reduction is consistent with the decrease in stomatal opening and conductance, and therefore, in photosynthesis.
Calibrating INPUFF-2 model by resident-panelists for long-distance odor dispersion from animal production sites

An air dispersion model, INPUFF–2, was calibrated for long–distance odor estimation. Odor events were monitored from June to November 1999 by 19 trained resident–panelists living on a 4.8  4.8 km (3  3 miles) grid of farmland containing 20 livestock/poultry farms. The panelists used a numerical 0 to 3 scale to assess the odor intensity. To convert odor intensity to concentration, the correlation between odor intensity (on a 0 to 5 n–butanol water solution scale) and concentration (in OU/m 3 ) for swine and cattle odors were developed. Odor emissions from the farms were measured and weather conditions were monitored over the same period. A total of 296 odor events were detected among which 170 odor events were simulated by the model. One hundred twenty three of these 170 odor events, i.e. 72.3%, were classified as faint odor (intensity 1). The comparison between the modeled and the measured odor intensity indicated that the model successfully estimated odor intensity 1 (faint odor) traveling up to 3.2 km under stable atmospheric conditions (P > 0.05). However, the model underestimated moderate to strong or very strong odors and odors that occurred during neutral or unstable weather as compared with the field measured data (P < 0.05). The overall percentage of agreement was 81.8%. The results indicate that the model could serve as an effective tool for agriculture odor dispersion estimation from animal production sources.