Miracle-dz/UniFAR-FTUs huggingface dataset:
Charge Density and Topological Analysis of Pentafluorobenzoic Acid

A charge density study of crystalline pentafluorobenzoic acid has been carried out using high-resolution X-ray diffraction data collected at 110 K. Two multipole refinement models based on the rigid-pseudoatom formalism were used for topological analysis, and the results were compared to those of theoretical calculations for the isolated molecule. In an analysis of the topological parameters at the bond critical points, the discussion focuses on the C−F bond, the hydrogen bond, and intramolecular and intermolecular weak F···O and F···F‘ interactions. Moreover, the geometrical distribution of the nonbonded valence shell charge concentrations was studied at oxygen and fluorine atoms on the basis of experimental data.
INFLUENCE OF RAW MATERIAL QUALITY ON QUALITY OF ICED AND FROZEN WHITE FISH PRODUCTS

The effect of raw material quality on final product quality was assessed. Initial physical, biological, chemical and sensory quality characteristics (total volatile bases, raw organoleptic assessment, freshness flavor, pH, viscosity, solubility, enzymatic activity, Ca 2+ sensitivity) were analyzed from actual experience in fish processing plants as well as from data obtained in the literature. These characteristics were studied together on a dimensionless scale, when white fish species, such as hake (Merluccius hubbsi) and cod (Gadus morhua), are processed to obtain iced and frozen products. A linear correlation between raw material and product quality was found. This correlation can be used by the industry in production planning and quality management. It is useful to settle the quality of the raw material to be purchased in order to achieve a certain product quality. Additionally, it can be used to test and check the overall process efficiency. L'effet de la qualite des matieres premieres sur la qualite du produit final est evalue. Les caracteristiques de qualite physique, biologique, chimique et sensorielle sont analysees dans des usines de transformation de poisson, en se limitant aux especes de poisson blanc telles que le merlu et la morue. Une correlation lineaire est obtenue entre la qualite des matieres premieres et celle du produit final.
Use of Iron Oxide Particles as Adsorbents to Enhance Phosphorus Removal from Secondary Wastewater Effluent

Potential use of iron oxide particles (IOPs) as adsorbents for removal of residual phosphorus from the secondary effluent discharged from activated sludge treatment was investigated under various operating conditions. Substantial phosphorus removal was achieved with IOPs including ferrihydrite, goethite, and hematite, though the adsorption capability for phosphorus depended on the types of IOPs tested. Adsorption isotherm tests and SEM images helped to understand the behavior of the adsorptive properties of phosphorus on different IOPs. Phosphorus removal efficiencies for secondary effluent remained constant or further increased over the wide pH range of below neutral to alkaline values, in contrast to those for a synthetic phosphorus solution. This could be in close association with the interaction of phosphorus with Ca and Mg ions present in secondary effluent leading to chemical precipitation, such as apatite, dolomite, calcite, and brucite. The reactivity of IOPs with phosphorus at neutral pH appeared to be almost independent of the existence of background inorganic species, such as inert salts, alkalinity, and hardness. The phosphorus removal efficiency was compared during regeneration and recovery of used IOPs using centrifugation and microfiltration (MF) methods. MF following IOP adsorption was found to be efficient enough to accomplish significant phosphorus removal during continuous adsorption/regeneration runs, suggesting that the combination of IOP adsorption with MF would be attractive as a tertiary treatment alternative.
DISTANCE BETWEEN MAGNETIC IONS AND FUNDAMENTAL PROPERTIES IN FERRITES

In the basic spinel NiFe2O4, ions of larger and larger ionic radius, Zn2+ and Cd2+, have been introduced with higher and higher concentrations. The corresponding materials of composition Ni1-xZnxFe2O4 and Ni1-xCdxFe2O4 have been prepared by using a special technologic process. The lattice constant increases linearly with the mean ionic radius in tetrahedral site. The variation of the Curie temperature due to a variation of the distance between magnetic ions is evaluated. The contribution to the Curie temperature due to the magnetic carriers distribution is shown by plotting a single intercomposition hypothetic curve. In the same way the influence upon the magnetization value of the variation of the distance between magnetic ions has been evaluated. Results obtained on spinels have been compared with those deduced from literature data in the case of garnets.
Methylation and Demethylation in Cobaltabis(dicarbollide) Derivatives

B(8)−R and B(8‘)−R (R = alkyl) disubstituted derivatives of the cobaltabis(dicarbollide) anion [3,3‘-Co(C2B9H11)2]- are reported. The synthesis was achieved by application of a modified Kumada reac.
INHIBITION OF CELL GROWTH CAUSED BY ALUMINUM TOXICITY RESULTS FROM ALUMINUM-INDUCED CELL DEATH IN BARLEY SUSPENSION CELLS

The inhibition of cell growth caused by aluminum (Al) toxicity was studied in barley (Hordeum vulgare L., cv. Zaoshu 3 from our laboratory) suspension cells in this paper. The growth of suspension cells in 0.1–5.0 mM Al treatment groups was obviously inhibited in 24-h Al treatments and was not recovered during 24-h recovery culture without Al. On the average, 46.70% or 83.36% of suspension cells lost viability respectively during 24-h Al treatments or 24-h recovery culture by the detection of trypan blue staining. The agarose gel electrophoresis shows that DNA ladders were induced after 24-h Al (0.1–5.0 mM) treatments. Al toxicity significantly inhibits cell division and promotes chromosomal variation, but the mitotic index (MI) of suspension cells is so low that the inhibition of Al toxicity on cell division does not cause the significant inhibition of cell growth after short-term exposure to Al. These results suggest that Al-induced inhibition of cell growth mainly results from cell death occurring during Al treatments or recovery culture, which can occur possibly via programmed cell death (PCD)-related signal transduction pathway.
Biochemical effects of Cigarettes Smoking on Liver functions of Sudanese diabetics smokers

The present study was conducted in Khartoum state (Sudan) as a cross-sectional study in 200 participants (100 smokers and 100 non-smokers), to investigate the effects of Cigarettes Smoking on Liver functions of Sudanese smokers. The smokers were categorized into either current smokers (70 participants) or past smokers (30 Participants). Parameters were analyzed by using spectrophotometer. From the results, the levels of liver function tests (TB, Albumin and globulin) were significantly higher in non-smokers (6.0, 3.6 and 2.43 g/dl) as compared to current smokers (4.4, 2.4 and 1.98 g/dl) and past smokers (4.7, 2.7 and 1.93 g/dl). Meanwhile, ALT was significantly increased in current and past smokers as compared to non-smokers, where as AST was significantly higher in current smokers as compared to non-smokers, while there was no significant difference between current and past smokers as well as between past and non-smokers for this parameter. In addition, heavy and long duration of smoking were both associated with low total protein, albumin and AST levels . Also liver function tests were not significantly differing in current smoker's non-diabetics and non-smokers diabetics except total protein. From the results when, liver enzymes raised that may lead to increase proteins metabolism and increase blood glucose. These signs may place cigarettes smoking one of the top causes of hepatitis, pancreatitis, insulin resistance and finally diabetes mellitus type II. On the other hand, smoking cessation in diabetics lead to decrease the risk of hepatitis, Also regular physical activity and using medication regularly in diabetics lead to the same actions above; in addition diabetes complications were decreased.
Starch crosslinked with poly(vinyl alcohol) by boric acid

Starch was crosslinked with poly(vinyl alcohol) (PVA) by boric acid. A suitable plasticizer and defoamer were added to obtain the brei. A film from the starch and PVA (SP film) was prepared by casting. The effects of various factors, such as the crosslinking temperature, the PVA content, and the amounts of glycerol and boric acid, on the tensile strength and breaking elongation were studied. The results showed that the SP film prepared by boric acid crosslinking had excellent mechanical properties. The film-forming properties, transmittance, and water resistance of the SP film were also investigated. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 96: 1394–1397, 2005
Silicon interactions with manganese and aluminum toxicity in sorghum

Abstract Silicon fertilization has been shown to alleviate Mn and Al toxicities in some plants. Experiments were conducted to assess the role of different Si levels on the alleviation of Mn and Al toxicity symptoms and on dry matter yields of sorghum [Sorghum bicolor (L.) Moench] grown in nutrient solutions with toxic levels of Mn and Al. Silicon concentration as high as 1780 μM had no detrimental effects on dry matter yields. At high Si levels (2670 and 3560 μM), shoot dry matter yields decreased, but root dry matter yields did not. Plants grown with 3600, 5400, and 7200 μM Mn showed marked visual toxicity symptoms in shoots but no effects on roots, even though root dry matter yield decreased more than shoot dry matter yield. The toxicity symptoms and the dry matter yield reductions caused by 3600 and 5400 μM Mn were partially alleviated by 1780 and 3560 μM Si, whereas no Si level overcame the severe effects induced by 7200 μM Mn. Plants grown with high Al (296 μM) had reduced root dry matter yields. Sil.
Retention of functional and sensory qualities after harvest by application of combination of pre- and post-harvest treatments on snow queen nectarine (Prunus persica var. nucipersica Schneid.) fruits

Snow Queen is a mid-season variety among the nectarines fruit grown in the “Peach Ball of Asia”. Being a climacteric fruit, it can’t be stored for long therefore present study was conducted to retain the quality after harvest by the application of combination of pre- and post-harvest treatments of nutrients, growth regulators and plant extracts. The pre-standardized four treatments of preharvest sprays of CPPU@15 ppm, Salicylic acid@3000 ppm, CaCl2@1.5% and Neemazal@0.45% is combined with five pre-standardized postharvest treatments of 1-MCP fumigation750 ppb, water dip @ 55 °C for 5 minutes, 5 Min dip in 0.15% Neemazal at 55 °C, Starlight Coating @ 50% and Mint leaf extract @ 30% which was compare with water treated fruits i.e. control. All the treatments found to effective in protecting the physico-chemical and antioxidant compounds viz. ascorbic acid and total phenols content. Sensory and PCA analysis for overall acceptability of Snow Queen nectarine fruits generally improved with the advancement of storage period. Among all the combinations of pre- and post-harvest treatments, fruits treated with 1.5 per cent CaCl2 at the preharvest stage combined with postharvest applications of 750 ppb 1-MCP treatment (T11) proved to be most effective in maintaining fruit quality and minimizing deterioration during 28 days storage of nectarine fruit cv. Snow Queen at 3 ±1 oC.
Sulfate Respiration in Extreme Environments: A Kinetic Study

In situ experiments were conducted in order to quantify sulfate reduction kinetics among thermophilic prokaryotes thriving in hydrothermal springs of Yellowstone National Park (USA). Selected springs were sampled based on their varied physicochemical characteristics in order to identify the effect of extreme environmental determinants over sulfate reduction. Reduction rates range from 1 to 483 nmol cm−3 d−1 in various springs with no correlation observed between sulfate reduction rate and pH or sulfate concentration of spring waters. A weak negative correlation with temperature exists though. Results from slurry incubation experiments show that both the apparent activation energy and the half-saturation constant are site specific. Activation energies of 17, 38, and 119 kJ mol−1 were determined in three different springs whereas the half-saturation constant values of 1.24 ± 0.90 and 3.17 ± 1.02 mM were calculated for two of the sampled springs. Such variations in activity and kinetic parameters may depict a change in the microbial population in different springs, or the response of microbial assemblages to changing physicochemical conditions. In the latter case the sulfate reducers must be highly adaptive to changing environmental conditions.
Extração e fracionamento simultâneo do óleo da castanha-do-Brasil com etanol

O objetivo deste trabalho foi utilizar o etanol comercial para extracao e fracionamento simultâneos das fracoes lipidicas presentes na castanha-do-Brasil (Bertholletia excelsea H.B.K.). O oleo foi obtido a partir da castanha desidratada e moida. O processo foi conduzido na proporcao 4:1 solvente/substrato (v.p-1) em banho termostatizado a 65 °C, sob agitacao de 30 rpm. A mistura foi filtrada, resfriada a 10 °C e, a seguir, centrifugada para separacao das fases: uma fase com consistencia de gel (micela rica), contendo 75% de oleo e 25% de etanol, e a outra liquida, contendo 2,4% de oleo e 97,6% de etanol (micela pobre). Pelas caracteristicas apresentadas, a micela rica tem potencial para ser utilizada no preparo de cremes vegetais como substituto parcial de gorduras hidrogenadas, cujos efeitos biologicos na saude dos consumidores vem provocando muitas polemicas. Alem de ser uma alternativa na obtencao de gorduras para a formulacao de alimentos mais seguros, a tecnologia proposta podera ser estendida a diferentes oleaginosas de interesse comercial, eliminando o uso de n-hexano no processamento de oleos e gorduras vegetais.
EFFECTS OF PHYTOHORMONES ON PROLINE CONTENT AND ANTIOXIDANT ENZYMES OF VARIOUS WHEAT CULTIVARS UNDER SALINITY STRESS

Salinity stress is one of the important agricultural problems in the world. A factorial experiment based on completely randomized design with four replications was conducted to evaluate the effects of phytohormones (gibberellic acid and abscisic acid) on the activity of antioxidant enzymes (peroxidase, superoxide dismutase and catalase), rubisco activity and content, and proline in three wheat cultivars (Gascogen, Zagros, and Kuhdasht) under control and salinity stress (3.5 and 7 dS m−1). The results showed that salinity stress (3.5 and 7 dS m−1) decreased the activity of catalase, rubisco, carboxylase, but increased peroxidase, superoxide dismutase activity and proline content. Gibberellic acid caused 58.03% increased in rubisco carboxylase activity in Zagros at 7 dS m−1 in comparison with abscisic acid under salinity stress compared with the control plants in Kuhdasht. Activity of superoxide dismutase in Kuhdasht cultivar at 7 dS m−1 salinity level showed 76.43% increased in Gascogen under salinity stress compared with the control plants with gibberellic acid application. The highest proline content as an osmolyte was found in Zagros at 7 dS m−1 salinity level with abscisic acid (194 μmol g−1 DM) application. Peroxidase activity increased 83.31% and catalase activity decreased 61.27% compared with the control plants in Zagros. Gibberellic acid application significantly prevented reduction in rubisco content under salinity stress. In conclusion, increased in peroxidase and superoxide dismutase activity and proline content decreased the adverse effects of salinity stress on studied cultivars. Also, the foliage spray of gibberellic acid enhanced and improved the growth condition. In this experiment, Zagros cultivar showed more tolerance to salinity stress than the other two cultivars.
Polycyclic aromatic hydrocarbons in interstellar chemistry

Interstellar chemistry modifications resulting form the presence of large molecules such as polycyclic aromatic hydrocarbons (PAHs) are investigated. For abundances of PAH relative to hydrogen of greater than 10 to the -8th, free electrons attach to PAH molecules to yield PAH(-) ions, and qualitative interstellar chemistry changes are shown to result as atomic and molecular ions undergo nondestructive mutual neutralization reactions with these negative ions. An increase in the steady state abundances of carbon-bearing molecules is also noted. For a PAH abundance ratio relative to hydrogen of 10 to the -7th, the equilibrium densities of C3H2 and neutral atomic C are found to be enhanced by two orders of magnitude. 18 references.
High-Frequency Discharges: I Breakdown Mechanism and Similarity Relationship

High-frequency breakdown between wires and coaxial cylinders in air and in hydrogen was investigated over the range of frequencies f from 3.5 Mc/s. to 70 Mc/s. at pressures below 20 mm. Hg. It was found that geometrically similar systems broke down at the same potential provided that both parameters ap and f/p were invariant, a being a linear dimension. Under conditions such that the total amplitude of oscillation of the electron cloud was smaller than the electrode interspace, the electric field at the wire was the controlling factor, and breakdown was found to be independent of the nature of the surface of the cylinder. Consequently, secondary ionization processes did not appear to play an important part as in the case of static discharges. The experiments were in agreement with the view that the high-frequency discharge in air and in hydrogen is determined by primary ionization in the gas and loss of electrons to the walls by diffusion only, provided the electron mean free path is small compared with the linear dimension of the discharge tube, and the collision frequency is very much greater than the oscillation frequency. The significance of the similarity relation is briefly discussed
Liquid lenses at fluid/fluid interfaces

In a previous study we have explored how the wettability of a spherical solid particle resting in a fluid/fluid interface can be influenced by effects of line tension (τ) acting in the circular three-phase contact line around the particle. Here, we extend that study to consider possible effects of line tension on a small liquid lens resting in a liquid surface; the deformability of the lens predictably adds some new features. In the case of a lens we are interested in the way in which τ influences both the complete wetting of the subphase by the lens and the complete wetting of the lens by the subphase (i.e. engulfment of the lens). We propose a definition of a spreading coefficient (for the lens material on the subphase) which incorporates line tension. Negative τ favours spreading and it is shown that it is possible in systems in which large lenses would not spread (e.g. dodecane on water at room temperature), the operation of negative line tension could cause spreading in lenses below a critical radius. For positive τ the behaviour of a lens broadly mirrors that of a spherical solid particle. For line tensions below a critical value τ c the lens can assume a thermodynamically stable configuration in the interface. This happens when the Gibbs energy of the system with the lens at the interface is more negative than that for the system in which the lens exists (in the form of a spherical droplet) in the more wetting of the contiguous phases. For line tensions between τ c and τ m only metastable configurations are possible; τ m is the line tension above which no stable configuration for the lens at the interface is possible. We consider possible effects of line tension in surfactant systems of potential practical interest, and allude to the role of liquid oil droplets in the rupture of thin liquid films and hence in foam breaking.
Improvement of a testing apparatus for dynamometry: procedures for penetrometry and influence of strain rate to quantify the tensile strength of soil aggregates

A resistencia do solo a penetracao (RP) e a resistencia tensil de agregados (RT) sao comumente utilizadas para caracterizar a condicao estrutural de solos agricolas. O objetivo deste trabalho foi avaliar a funcionalidade de uma maquina de ensaio para dinamometria mediante a automatizacao do controle de posicao e da velocidade linear de sua base movel nas medicoes de RP e de RT. O equipamento proposto foi utilizado na determinacao da RP em amostras indeformadas de um Nitossolo Vermelho eutroferrico argiloso sob cultivo de seringueira, considerando duas posicoes de amostragem (linha e entrelinha). Nessas amostras tambem foram determinados o teor de agua e a densidade do solo, cujos dados foram utilizados para o ajuste da curva de resistencia do solo a penetracao (CRP). Os valores de RT foram medidos num Latossolo Vermelho distrofico de textura media (LVd) e num Nitossolo Vermelho distroferrico muito argiloso (NVdf) sob distintos sistemas de uso: LVd, sob culturas anuais e mata nativa, e NVdf, sob culturas anuais e mata com eucaliptos ha mais de 30 anos. Quanto as determinacoes de RT, foram utilizadas duas maquinas de ensaio dinamometrico para aplicar distintas taxas de deformacao: uma de referencia (0,03 mm s-1), ja amplamente empregada em outros trabalhos, e o equipamento proposto (1,55 mm s-1). A CRP apresentou elevado valor de coeficiente de determinacao (R2 > 0,9), independentemente da posicao de amostragem. Os valores medios de RT do LVd e do NVdf obtidos com o equipamento proposto nao diferiram (p > 0,05) daqueles da maquina de ensaio de referencia, independentemente do sistema de uso e da classe textural do solo. Os resultados indicam que a RP e a RT podem ser determinadas mais rapidamente e com elevada acuracia utilizando o procedimento proposto.
Supplement. Tables of bond lengths determined by X-ray and neutron diffraction. Part 2. Organometallic compounds and co-ordination complexes of the d- and f-block metals

Average lengths for metal–ligand bonds are reported, together with some intraligand distances, for complexes of the d- and f-block metals. Mean values are presented for 325 different bond types involving metal atoms bonded to H, B, C, N, O, F, Si, P, S, Cl, As, Se, Br, Te, or I atoms of the ligands.
OsHCl(CO)(O2)(PCy3)2-Catalyzed Hydrogenation of Acrylonitrile−Butadiene Copolymers

A new homogeneous catalyst precursor, OsHCl(CO)(L)(PCy3)2 (1, L = vacant; 2, L = O2), has been identified for the selective hydrogenation of olefin within acrylonitrile−butadiene copolymers. This report details a study of its catalytic behavior at hydrogenation conditions approaching those used industrially. Carefully acquired kinetic data, collected within a statistical design framework, define the influence of [Os], [RCN], [H2], [PCy3], and temperature on the catalytic activity. Reversible coordination of nitrile to complex 1 not only reduces the hydrogenation rate but creates an unprecedented sensitivity of the process to pressure. Unique to this system is an apparent second-order dependence of the hydrogenation rate on [H2], which diminishes toward zero order as pressures exceed 60 bar. In contrast, hydrogenation of substrates that lack nitrile is virtually indifferent to [H2] at all pressures. These kinetic measurements, coupled with recently acquired knowledge of the structures and reactivities of c.