Miracle-dz/UniFAR-FTUs huggingface dataset:
CHROMIUM(III) COMPLEXES OF 1,2-DI(IMINO-4′-ANTI PYRINYL)ETHANE

ABSTRACT Chromium(III) complexes of the Schiff base 1,2-di(imino-4′-antipyrinyl)ethane (GA) have been synthesized and characterized by elemental analyses, electrical conductance in non-aqueous solvents, infrared and electronic spectra as well as magnetic susceptibility measurements. The complexes have the general formulae [Cr(GA)(ClO4)](ClO4)2 and [Cr(GA)-X2]X (X=NO3, Cl or Br). In the complexes, GA acts as a neutral tetradentate ligand coordinating through both carbonyl oxygens and both azomethine nitrogens. In the perchlorate complex one of the anions is coordinated in a bidentate fashion while in the corresponding nitrate and halide complexes two of the anions are coordinated to the metal ion. A distorted octahedral geometry is assigned around the Cr(III) ion in all of these complexes.
Quantitative 1H MAS NMR Studies of Structurally Different OH Surface Groups on η-Al2O3 and Mol-/η-Al2O3 Catalysts

Quantitative results for the coverage of surface hydroxyl groups on {eta}-Al{sub 2}O{sub 3} and calcined molybdenum catalysts supported on {eta}-Al{sub 2}O{sub 3} have been obtained by {sup 1}H MAS NMR spectroscopy. By studying catalysts with different molybdenum concentrations, information on the nature of the reaction of molybdate ions with the structurally different hydroxyl species of the support could be obtained. The present studies show that a preferential interaction of molybdenum with the most basic hydroxyl groups of {eta}-Al{sub 2}O{sub 3} takes place and that monolayer structures dominate up to approximately 12 wt% Mo corresponding to 4.0 Mo atoms per nm{sup 2}. 9 refs., 5 figs.
Analysis of 157 Cases of Congenital Heart Disease

Background and Objectives: Congenital heart disease is primarily an abnormal anatomical structure characterized by the formation disorder or abnormal development of the heart and macrovessels during embryonic development, or the failure to close the channels that should be automatically closed after birth (it is normal in the fetus). To study the clinical analysis of congenital heart disease in children. Methods: 157cases of congenital heart disease in our hospital from January 2015 to 2018 were selected as the observation objects. All the test indexes of the children met the diagnostic criteria. Results: If untreated it not only affects the circulation function but also causes the growth and development retardation. Heart failure, arrhythmia could be found. Moreover, Pulmonary hypertension infective endocarditis was found. Screening is an effective tool for preventing the incidence rate. Conclusion: An early diagnosis will lead to appropriate treatment and management.
The Oligomerization of Olefin Hydrocarbons in Light FCC Naphtha on Ion Exchange Resin Catalyst

In our experimental work our aim was the investigation of the possibility to convert olefin hydrocarbons of a light FCC naphtha fraction with oligomerization. In this framework, we studied the production possibilities of higher carbon number isoolefin rich motor fuel blending components, with oligomerization of the C4-C6 olefin content of the feedstock on water-containing acidic ion exchange resin catalysts. From the studied catalysts the ion exchange resin showed the highest oligomerization activity: the conversion of the olefins was 90.9 % and the share of oligomer products was 29.0 %. After hydrogenation of the C8-C16 isoolefin mixture, the octane number of gasoline product is around 100, the JET product has high energy content and low crystallization point, the cetane number of gas oil product is high and it has a good CFPP (cold filter plugging point). So with these two catalytic steps valuable products can be produced from light olefin-containing refinery by-products.
N-Methylation of NH-Containing Heterocycles with Dimethyl Carbonate Catalyzed by TMEDA

Abstract A practical method for N-methylation of NH-containing heterocycles using an environmentally safe and less toxic methylating reagent, dimethyl carbonate, has been developed. N,N,N′,N′-tetramethylethylenediamine (TMEDA), an extremely active organocatalyst for the methylation of imides, indoles, benzimidazoles, and piperazines in conjunction with dimethyl carbonate, can lead to N-methylation products with high conversion. The reaction sequence consists of competing alkylation and acylation pathways and involves TMEDA as a nucleophilic catalyst. A possible reaction mechanism is discussed based on the reaction results. GRAPHICAL ABSTRACT
Biogenic volatile organic compounds emissions at high temperatures of common plants from Mediterranean regions affected by forest fires

Vegetal species emit biogenic volatile organic compounds at elevated temperatures. Because of their combustibility, biogenic volatile organic compounds can modify the wildland fires propagation dynamics, changing them from a moderate behavior to an explosive propagation. This phenomenon is known as an accelerating forest fire. The origin of such phenomena can be the accumulation of biogenic volatile organic compounds in concentrations close to their lower flammability limit in seasons where the plants are themselves very flammable. There is a lack of information on the biogenic volatile organic compounds emissions of vegetal species typically found in wildland fires at temperatures higher than ambient temperature. In this work, we used a flash pyrolysis device linked to a gas chromatograph/mass spectrometer to investigate experimentally the biogenic volatile organic compounds emissions of Thymus vulgaris, Lavandula stœchas, and Cistus albidus between 70°C and 180°C. High amounts of terpenoid compounds were found, except for C. albidus emissions, including thymol, l-fenchone, and 3-hexen-1-ol. The information provided in this work could help to improve the characterization of thermal degradation of vegetal fuels and to incorporate the biogenic volatile organic compounds combustion in physical forest fires models. They also show that under the right circumstances, biogenic volatile organic compounds from these vegetal species could contribute to the development of an accelerating forest fire.
Heavy Metals Affect Yield, Essential Oil Compound, and Rhizosphere Microflora of Vetiver (Vetiveria zizanioides Linn. nash) Grass

The effects of heavy metals [chromoium (Cr), cadmium (Cd), lead (Pb) and nickel (Ni)] on the yield, khusimol content in the essential oil, accumulation of metals, and rhizosphere microflora of vetiver (Vetiveria zizanoides) were studied in a pot experiment. The shoot yield and khusimol content in oil of vetiver were enhanced by the application of moderate amount of metals to soils. The application of Cr, Pb, and Ni had deleterious effects on the root and essential oil yield. The application of high levels of metals to soil had harmful effects on the bacterial and fungal counts in the rhizosphere. The concentrations of metals such as Cr, Cd, Pb, and Ni in shoot and root tissues were significantly enhanced by the application of those metals to soils. It can be concluded that the vetiver could be used as a promising crop for revegetation, soil remediation, and production of better quality essential oil in metal-contaminated soils.
Antioxidant activity of phenolic and flavonoid fractions of Cleome gynandra and Maerua angolensis of Burkina Faso

Cleome gynandra L. and Maerua angolensis DC (Forsk) are two species of Capparidaceae family and of which the traditional uses are directed much against the inflammatory diseases, cancer and cellular ageing. The aim of this study is to measure the anti-FRAP, anti-ABTS and anti-DPPH activities through the n-hexane (n-H), dichloromethanolic (DCM), acetonitrile (ACN), ethyl acetate (EA), methanolic (MeOH) and n-butanol (n-BuOH) fractions of each species. We thus quantified the total phenolic and total flavonoids in different fractions. The whole of the tests were evaluated with a sample concentration at 100 µg/mL. Thus, three methods i.e., FRAP, ABTS and DPPH were used to estimate the total antioxidant capacity of the plants fractions. The total phenolic and total flavonoid were also determined spectrophotometrically using Folin-Ciocalteu and AlCl3 reagents, respectively. Butanolic fractions were give the bests anti-FRAP (535.961 µmol AAEAC/g of fraction), antiABTS (155.868 µmol TEAC/g of fraction) and anti-DPPH (81.109 µmol QEAC/ g of fraction) activities. The best phenolic content was obtained with n-butanol fraction (133.023 mg GAE/g of fraction, for C. gynandra), followed of methanolic fraction of M. angolensis (128.043 mg GAE/g of fraction). C. gynandra was give the best flavonoids contents with DCMF (50.09 %), followed of EAF (19.464 %). The obtained results allow justifying the traditional uses of these plants in the above-mentioned diseases.
Ultimate resolution electron energy loss spectroscopy at H/Si(100) surfaces

We have re-investigated the well-studied hydrogen covered Si(100) surface using high resolution electron energy loss spectroscopy (HREELS) with a spectral resolution down to 13 cm1, representing an improvement by a factor of 3–4 compared to earlier work. For the first time in HREELS, it has been possible to clearly distinguish between the stretching vibrations of H-Si-Si-H units on monohydride surfaces with a 2×1 low energy electron diffraction pattern, on the one hand, and SiH2 units on dihydride surfaces with 1×1 symmetry on the other hand, the two being shifted by 5 cm-1 with respect to each other, in good agreement with results from infrared spectroscopy. Furthermore, we find trihydride units even for relatively low exposures beyond monohydride saturation coverage from their distinct stretching frequencies, and this points towards early etching stages. The question of the scattering mechanism applicable in our experiments is discussed. Since there are no spectral limitations in HREELS, we can analyze .
PREPARATION AND APPLICATION OF MIXED OCTADECYLSILYL- AND (3-(C-METHYLCALIX[4]RESORCINARENE)-HYDROXYPROPOXY)-PROPYLSILYL–APPENDED SILICA PARTICLES AS STATIONARY PHASE FOR HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY

A new type of mixed octadecylsily (ODS)- and (3-(C-methylcalix[4]resorcinarene)-2-hydroxypropoxy)-propylsilyl–appended silica particles (ODS-MCR-HPS) have been prepared and used as stationary phase for high-performance liquid chromatography (HPLC) for the first time. Elemental analysis and Fourier-transform infrared spectroscopy have been applied to characterize the synthetic ODS-MCR-HPS. The new stationary phase contains two types of interaction sites for separation: ODS and MCR. The chromatographic performance of ODS-MCR-HPS was investigated by separating several disubstituted benzenes and some aromatic hydocarbons under both reversed-phase and normal-phase conditions. The results show that ODS-MCR-HPS exhibits excellent selectivity for the separation of positional isomers of disubstituted benzenes and mixtures of some aromatic hydrocarbon compounds due to the cooperative and complementary functioning of the ODS and MCR under different mobile phase conditions.
Variations in Soil Physical Properties in a Cleared Forestland Continuously Cultivated for Seven Years in Eastern Nsukka, Nigeria

In this study, soil physical properties were evaluated in the top 40 cm of cleared forestland that had been subjected to continuous cultivation for 7 years to ascertain selected crop or crop combinations that influenced the soil physical properties the most. There was no significant effect of crop treatment on particle‐size distributions over 6 years of cultivation. In year 7, clay values were significantly (p = 0.05) greater in plots grown with solely cassava (SC) and solely maize (SM) than in the plots grown with solely pigeon pea (SP). The soil depth effects over the 7 years were significant on the clay content. The mean values of bulk density, pore‐size distribution, and hydraulic conductivity obtained from each plot fluctuated over the years. The bulk density values in 1998 ranged from 1.29 to 1.43 g cm3, but from 1999 to 2004, the range was from 1.12 to 1.40 g cm3. Thus, bulk density generally decreased when compared with their respective values in 1998. The greatest decrease of ≈ 22% was in 2000. More than 70% of the macroporosity values were significantly less than their respective values in 1998. The greatest decease of 72% was obtained from SM plots in 2001. All the microporosity were significantly more than the 1998 values. All the increases were >100% of the original values. These increases were reflected in the variations of total and saturated hydraulic conductivity (Ks) values. However, in 2004, Ks values decreased in the plots grown to C + P, SP, and SM. Generally, the C + M + P mixture appeared to be the most consistent in improving micro‐ and total porosities and Ks among the crop treatments.
Magnetic solid-phase extraction of proteins based on hydroxy functional ionic liquid-modified magnetic nanoparticles

Hydroxy functional ionic liquids have been first designed and modified on the surface of silica-coated magnetic Fe3O4 nanoparticles (MNPs) for the investigation of the extraction performance of proteins by magnetic solid-phase extraction (MSPE) and characterized by Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), vibrating sample magnetometer (VSM), X-ray diffraction (XRD) and thermogravimetric analysis (TGA). BSA was chosen as a model protein to investigate the effect of extraction parameters. Based on the single-factor experiment, an initial serial investigative test was used to identify the optimal conditions of the extraction, and the extraction efficiency could reach up to 86.92%. The RSD of extraction efficiencies in the precision, repeatability and stability experiments were 1.17% (n = 3), 3.79% (n = 3) and 4.82% (n = 3), respectively. Compared with the other four types of ionic liquids, hydroxy functional ionic liquids-modified magnetic nanoparticles have the highest extraction rates. The desorption of proteins was up to 94.91% when the concentrations of NaCl were greater than 1.1 mol L−1. Nearly 95% of MNPs could be recovered from each run, and extraction rates decreased significantly after five runs.
Production Of Ozone in an Electrical Discharge Using Inert Gases as Catalysts

Abstract The catalytic role of using inert gases to increase the efficiency and lower the power cost of producing ozone (O3) from high purity oxygen (O2) in a process incorporating an electrical discharge is demonstrated. Three inert gases (Ar, Ne, He) and N2 are individually mixed with O2 and the results presented. The increase in ozone production is partially attributed to the increase in electron density provided by the ionization of the inert gas in the discharge.
Effect of Bi‐content on hardness and micro‐creep behavior of Sn‐3.5Ag rapidly solidified alloy

In the present paper, the influence of 1, 3, 5 and 10 % Bi (weight %) as ternary additions on structure, melting and mechanical properties of rapidly solidified Sn‐3.5Ag alloy has been investigated. The effect of Bi was discussed based on the experimental results. The experimental results showed that the alloys of Sn‐3.5Ag, Sn‐3.5Ag‐1Bi and Sn‐3.5Ag‐3Bi are composed of two phases; Ag3Sn IMC embedded in Sn matrix phase, which indicated that the solubility of Bi phase in Sn‐matrix was extended to 3 % as a result of rapid solidification. Bi precipitation in Sn matrix was only observed in Sn‐3.5Ag‐5Bi and Sn‐3.5Ag‐10Bi alloys. Also, addition of Bi decreased continuously the melting point of the eutectic Sn‐3.5Ag alloy to 202.6 °C at 10 % Bi. Vickers hardness of Sn‐3.5Ag rapidly solidified alloy increased with increasing Bi content up to 3 % due to supersaturated solid solution strengthening hardening mechanism of Bi phase in Sn matrix, while the alloys contain 5 and 10 % Bi exhibited lower values of Vickers hardness. The lower values can be attributed to the precipitation of Bi as a secondary phase which may form strained regions due to the embrittlement of Bi atom. In addition, the effect of Bi addition on the micro‐creep behavior of Sn‐3.5Ag alloy as well as the creep rate have been described and has been calculated at room temperature. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Conformational phase diagram for proteins absorbed on ultra-small nanoparticles studied by a structure-based coarse-grained model

Bio-nanotechnology has become a thriving area of research and production of novel functional materials or tiny devices by combining biomolecules and nanomaterials. In this age, it is necessary to investigate the interaction between proteins and nanoparticles (NPs), which are two typical building blocks for bio-nanoobjects. Using a structure-based coarse-grained model and molecular simulations, we studied how the protein structures, the binding interface and kinetics are affected by the presence of NPs. For different combinations of proteins and NPs, conformational phase diagrams were obtained and were found containing four conformational phases, including two folded and two unfolded phases. In the folded phases, the formation of -sheets was often enhanced by the NP, while that of -helix was not. The underlying mechanism of the phenomenon was attributed to the geometry and flexibility of the -sheets. The knowledge gained in this study is useful for understanding the interactions between NPs and proteins which may facilitate designing new bio-nanomaterials or devices.
Site preference of cations and structural variation in Y3Fe5−xGaxO12 (0 ≤ x ≤ 5) solid solutions with garnet structure

The crystal structures of Y 3 Fe 5-x Ga x O 12 (0≤ x ≤ 5) solid solutions (x = 0.0, 1.0, 1.6, 2.0, 2.5, 3.0, 3.6, 3.8, 4.6 and 5.0) with garnet structure were refined by single-crystal X-ray diffraction analyses. Site preferences of cations in the crystal structure were examined in detail. The smaller Ga 3+ ion occupies only the four-coordinated site in the composition range x = 0.0-1.6 (region I), whereas the larger Fe 3+ ion occupies only the six-coordinated site from x = 5.0 to 3.8 (region III). Both cations occupy these two sites from x=1.6 to 3.8 (region II). The tendency for site preference of cations changes near x=1.6 and 3.8. When Ga 3+ and Fe 3+ occupy only the four- (region I) and six-coordinated sites (region III), respectively, the enhancement of the cation-cation interaction can be considered as a result of the geometric restriction due to the variation of cation size. The change in tendency for cation site preference is most probably caused by the increased cation-cation interaction. Crystal data: cubic, Ia3d, Z = 8, Mo Kα, λ = 0.71069 A; at x = 0.0: a 0 = 12.375(1)A, V = 1895.3(3)A 3 , D x = 5.17 mg m -3 , m r = 737.938, μ = 26.42 mm -1 , F(000) = 2744, R = 0.020 for 144 reflections; at x = 1.0: a 0 = 12.360(1)A, V = 1888.2(4)A 3 , D x = 5.29 Mg m -3 , M r = 751.811, μ = 27.95 mm -1 , F(000) = 2784, R = 0.019 for 131 reflections; at x = 1.6: a 0 = 12.351(1)A, V = 1883.9(3)A 3 , D x = 5.36 Mg m -3 , M r = 760.135, μ = 28.88 mm -1 , F(000) = 2808, R = 0.021 for 110 reflections; at x = 2.0: a 0 = 12.342(1)A, V = 1880.1(4)A 3 , D x = 5.41 Mg m -3 , M r = 765.684, μ = 29.51 mm -1 , F(000) = 2824, R = 0.018 for 117 reflections; at x = 2.5: a 0 = 12.333(1)A, V = 1875.8(3)A 3 , D x = 5.47 Mg m -3 , M r = 772.621, μ = 30.30 mm -1 , F(000) = 2844, R = 0.015 for 111 reflections; at x = 3.0: a 0 = 12.317(1)A, V = 1868.7(3)A 3 , D x = 5.54 Mg m -3 , M r = 779.557, μ = 31.14 mm -1 , F(000) = 2864, R = 0.017 for 119 reflections; at x = 3.6: a 0 = 12.312(2)A, V = 1866.2(5)A 3 , D x = 5.61 Mg m -3 , M r = 787.881, μ = 32.06 mm -1 , F(000) = 2888, R = 0.016 for 168 reflections; at x = 3.8: a 0 = 12.302(1)A, V = 1861.8(4)A 3 , D x = 5.64 Mg m -3 , M r = 790.655, μ = 32.42 mm -1 , F(000) = 2896, R = 0.020 for 117 reflections; at x = 4.6: a 0 = 12.289(1)A, V = 1856.1(3)A 3 , D x = 5.73 Mg m -3 , M r = 801.754, μ = 33.69 mm -1 , F(000) = 2928, R = 0.013 for 103 reflections; at x = 5.0: a 0 = 12.273(1)A, V = 1848.7(4)A 3 , D x = 5.80 Mg m -3 , M r = 807.303, μ = 34.45 mm -1 , F(000) = 2944, R = 0.021 for 118 reflections.
Repeatability of fatty acid composition in pm:am milk samples from cows

The present study was designed to estimate the repeatability of fatty acid composition in cows’ milk collected at a pm:am herd test. As part of a larger project, whole milk was collected during a routine herd test in March 2003 from 10 Friesian and 10 Jersey cows at Flock House, in the evening and again the following morning. Fat in the 40 samples was separated by centrifugation, fatty acids were converted to their methyl esters, and individual fatty acid percentages in each sample were assayed by gas chromatography. In general, the fatty acid composition of milk was very similar at the pm and am samplings. For the fatty acids making the largest contributions (10 to 29% of the total) to fatty acids present in milk (C14:0, C16:0, C18:0 and C18:1 cis-9 (oleic)) and for conjugated linoleic acid and the MonoUnsaturated/Saturated ratio, pooled within-breed correlations of compositions between pm and am milk samples were high (0.76, 0.80, 0.88, 0.76, 0.75 and 0.74, respectively; standard errors 0.06 to 0.12). The pm:am correlation, averaged over the most abundant 15 fatty acids in milk, was 0.77 ± 0.10. It is concluded that a single milk sample or a pooled pm:am sample is adequate for estimating the composition of the predominant fatty acids.
Biogas production potential from switch grass-animal manure mixture using dry anaerobic digestion

Anaerobic digestion is a biological method used to convert organic wastes into a stable product for land application without adverse environmental effects. The biogas produced can be used as an alternative renewable energy source. Dry anaerobic digestion (> 15% TS: total solid) has an advantage over wet digestion (<10% TS) because it allows for the use of a smaller volume of reactor and because it reduces wastewater production. In addition, it produces a fertilizer that is easier to transport. Performances of anaerobic digestion of animal manure-switchgrass mixture were evaluated under dry (15% TS) and thermophilic conditions (55oC). Three different mixtures of animal manure (swine manure, poultry manure, and dairy manure) and switchgrass were digested using batch-operated 1-L reactors. Swine manure test unit showed 58% VS removal during 30 day trial while dairy and poultry manure test units showed 24% and 31%, respectively. Over the 30 day digestion, the swine manure test unit yielded the highest amount of methane yield 0.229 L CH4 /g VS, while, the dairy and poultry manure test units showed very poor methane yield 0.009 L CH4 /g VS and 0.002 L CH4 /g VS, respectively. These results indicate that the swine manure test unit has the highest biogas production potential among the three different types of animal manure.
Determination of vitamin composition of Dissotis rotundifolia leaves

A B S T R A C T The vitamin compositions of Dissotis rotundifolia leaves were investigated using spectrophotometric methods. The result revealed high concentrations (mg 100g) of retinol (7.19 1.18), cholecalciferol (7.07 0.08), tocopherol (3.27 0.02), and thiamine (2.67 0.07), with low concentrations (mg/100g) of pyridoxine (0.81 0.05), niacin (0.54 0.02), riboflavin (0.16 0.01), ascorbic acid (0.31 0.02), phylloquinone (0.08 0.00), and cobalamin (0.05 0.00). The high concentrations of some of the vitamins indicate that Dissotis rotundifolia leaves could serve as a good source of some vitamins in human nutrition. K e y w o r d s Vitamins and Dissotis rotundifolia