Miracle-dz/UniFAR-FTUs huggingface dataset:
The Influence of Substrate Temperature on In2O3 being Structured

In2O3 thin films were grown by the chemical spray pyrolysis (CSP) method using the pneumatic spray set-up and compressed air as a carrier gas. Aqueous solutions containing InCl3.4H2O were deposited onto preheated glass sheets at substrate temperatures Ts=423–573K. X-ray differection (XRD) analysis confirmed the cubic bixbyite structure of indium oxide. The preferred growth orientation along the (211) plane for thin films. The crystallite size extracted from the XRD data corroborates the changes in full width at half maximum due to the variation in substrate temperature. It was shown that grain size of In 2O3 thin film was (30)nm. Optical properties of In 2O3 was studies and showed that the optical parameters (n, k α) were affected by substrate temperature. Key word: Indium oxide, optical properties, nanostructure.
Study of Fullerene Aqueous Dispersion Prepared by Novel Dialysis Method: Simple Way to Fullerene Aqueous Solution

A simple approach for large-scale production of aqueous dispersions of fullerene C60 (nC60) with good stability was developed by mixing a solution of crystalline fullerene in N-methylpyrrolidone (NMP) with water followed by exhaustive dialysis against water. Addition of amino acids or sugars at low concentration before dialysis increases the stability of the dispersion. Measurement of the size and ξ-potential of particles in nC60 showed that their average diameter is 100 nm and charge about –30 mV. IR spectra of the dried dispersions showed the presence of a broadband characteristic for C‒O bond. Changing the solvent NMP to pyridine does not significantly affect the spectral characteristics of the resulting dispersion. Our data suggest that the fullerene molecule in nC60 is associated with MP and water molecules, and obviously is partially hydroxylated. The proposed method is promising for the preparation of aqueous solutions of endofullerenes.
Relation between structure and tautomerism in diazinones and diazinethiones. An experimental matrix isolation and theoretical ab initio study

Tautomerism of 2-pyridinone, 2-pyrimidinone, 2-pyrazinone, 4-pyrimidinone, 3-pyridazinone, and their thio analogs isolated in low-temperature inert gas matrices has been investigated by means of IR spectroscopy. The UV-induced phototautomeric reaction has been used to separate the IR spectra of the tautomers. It is found that the relative stability of the oxo and hydroxy tautomers of the above compounds depends in a systematic way on the relative position of the lactam group and the second nitrogen atom in the ring
Critical behaviour of RMnO3 (R = La, Pr, Nd) by thermal diffusivity and specific heat measurements

An ac photopyroelectric calorimeter has been used to measure the thermal diffusivity and specific heat of the perovskite manganites RMnO3 (R = La, Pr, Nd) close to their magnetic transitions. Taking into account that the inverse of the thermal diffusivity has the same critical behaviour as the specific heat, the critical exponent α of the magnetic transition has been obtained by means of both magnitudes. The results in all cases are consistent with the Heisenberg model (α = −0.11), irrespective of the rare-earth ion.
Magic Angle Spinning Nuclear Magnetic Resonance in Solid-Phase Peptide Synthesis

Solid-phase peptide synthesis of certain sequences (commonly called “difficult sequences”) suffers from the occurrence of incomplete coupling reactions and/or partial unmaskings of Nα-protection. The underlying reasons for these problems are thought to be a structuration and/or a poor solvation of the growing peptide chains. Few methods are available to study the structural aspects of the peptide chains when still anchored to the solid support. In most cases, they rely on the incorporation of a specific label and examine therefore a modified peptide analog. We describe the complete characterization by homonuclear and heteronuclear magic angle spinning nuclear magnetic resonance (MAS NMR) of the solid-phase synthesis of a 10-residue peptide. A detailed secondary structure determination of the growing peptide on the resin beads, based on the NOE analysis and the 1H and 13C chemical shift deviations, indicated an extended structure on the whole length of the sequence. At critical synthesis steps, a correlati.
Subsurface liming and metal movement in soils amended with lime-stabilized biosolids

Samples to a depth of 1 m were taken from two long-term biosolids field studies, to examine metal and alkalinity movement. The studies, located at the University of Maryland research facility in Beltsville, MD, had received biosolids in 1976 to 1978. One study, on a Christiana fine sandy loam (clayey, kaolinitic, mesic Typic Paleudult) had used a variety of biosolids incuding Nu-Earth (a high-metals biosolids) applied at 50 and 100 Mg ha -1 and limed-undigested, limed-digested, and limed-compost applied at 224 Mg ha -1 . The digested biosolids were also applied at 336 and 448 Mg ha -1 . The other study, on a Galestown sand (sandy, siliceous, mesic Psammentic Hapleudult), used limed-digested biosolids from the same treatment plant applied at 224 and 448 Mg ha -1 . For both rates of biosolid application, soil pH was raised to >7.0 throughout the examined depth for the Galestown plots. pH increases were most pronounced for the limed-undigested biosolids (224 Mg ha -1 ) on the Christiana plots, with soil pH significantly higher than for the calcareous control to 80 to 90 cm. Soil pH for this biosolids treatment remained >5 to the 80 to 90 cm depth, while soil pH fell below 5 at the 40 to 50 cm depth for the calcareous control treatment. Movement of Pb, Zn, and Cu was detected in the high pH Nu-Earth treatments, with a distinct increase being observed for all three metals below 80 cm. Copper movement from the lime-undigested biosolids was detected below 80 cm, and Zn movement also occurred for soils amended with the lime-undigested and lime-compost biosolids. For the Galestown plots, distinct movement of Zn, Pb, and Mn was detected to below 60 cm for the 448 Mg ha -1 biosolids treatment. The observed movement of metal(s) and alkalinity may be linked to the formation of fulvic acid-metal complexes that become increasingly more soluble at elevated pH. Although statistically significant, movement of metals was limited and occurred only after high rates of biosolids had been applied. There is no indication that metal movement would occur in fields receiving agronomic rates of biosolids.
Dissolution of diopside and basaltic glass: the effect of carbonate coating

Abstract Far-from-equilibrium dissolution experiments with diopside and basaltic glass in mixed-flow reactors at 70°C and pH 8.2 show that solute concentrations do not reach steady state over the experimental duration of 45-60 days. Chemical modelling indicates that during the dissolution experiments, solutions have become supersaturated with respect to carbonates in the case of diopside, and carbonates, clay minerals and zeolites in the case of the basaltic glass. Decreasing dissolution is therefore interpreted as a result of secondary surface precipitates blocking the reactive surface area. Calcite formation was supported in both experiments by a significant increase in Ca (and Sr) concentrations as pH was abruptly lowered from 8.2 to 7 because this change increased carbonate solubility and caused all potential carbonate precipitates to re-dissolve. The reduction in pH also led to an increase in Si concentration for diopside and a decrease in Si concentration for basaltic glass. This observation is in accordance with previous experiments on the pH-dependent dissolution rates of pyroxenes and basaltic glass.
Electronic Structure, Spectra, and Magnetic Properties of Oxycations. III. Ligation Effects on the Infrared Spectrum of the Uranyl Ion

A series of uranyl complexes KxUO2Ly(NO3)2, where L is the variable ligand (or ligands), has been prepared; it has been shown that a ligand series may be defined using the antisymmetric stretching frequency of the uranyl entity, and this series exhibits a remarkable parallelism with the spectrochemical series defined by Δ in octahedral complexes of transition metals of the 1st and 2nd series. This parallelism has been rationalized using a mixed ligand field theory in which the uranyl ion is considered subject to bonding with ligands which are arranged hexagonally in a plane equatorial to the O–U–O axis. It is shown that the large changes of ν3 and ν1 are due primarily to electron population of the φu and δu atomic orbitals of uranium. Such population is physically equivalent to the reductions AmO2+ +→AmO2+ and NpO2+ +→NpO2+, which cause a decrease of approximately 100 cm—1 in ν3. It is further shown that Δν3 = — electrostatic effect — σ(L→M) — π(L→M) ± π(M→L), where in the last term the plus sign is the .
Satellite constraint for emissions of nitrogen oxides from anthropogenic, lightning and soil sources over East China on a high-resolution grid

Abstract. Vertical column densities (VCDs) of tropospheric nitrogen dioxide (NO 2 ) retrieved from space provide valuable information to estimate emissions of nitrogen oxides (NO x ) inversely. Accurate emission attribution to individual sources, important both for understanding the global biogeochemical cycling of nitrogen and for emission control, remains difficult. This study presents a regression-based multi-step inversion approach to estimate emissions of NO x from anthropogenic, lightning and soil sources individually for 2006 over East China on a 0.25° long × 0.25° lat grid, employing the DOMINO product version 2 retrieved from the Ozone Monitoring Instrument. The inversion is done gridbox by gridbox to derive the respective emissions, taking advantage of differences in seasonality between anthropogenic and natural sources. Lightning and soil emissions are combined together for any given gridbox due to their similar seasonality; and their different spatial distributions are used implicitly for source separation to some extent. The nested GEOS-Chem model for East Asia is used to simulate the seasonal variations of different emission sources and impacts on VCDs of NO 2 for the inversion purpose. Sensitivity tests are conducted to evaluate key assumptions embedded in the inversion process. The inverse estimate suggests annual budgets of about 7.1 TgN (±39%), 0.21 TgN (±61%), and 0.38 TgN (±65%) for the a posteriori anthropogenic, lightning and soil emissions, respectively, about 18–23% higher than the respective a priori values. The enhancements in anthropogenic emissions are largest in cities and areas with extensive use of coal, particularly in the north in winter, as evident on the high-resolution grid. Derived soil emissions are consistent with recent bottom-up estimates. They are less than 6% of anthropogenic emissions annually, increasing to about 13% for July. Derived lightning emissions are about 3% of anthropogenic emissions annually and about 10% in July. Overall, anthropogenic emissions are found to be the dominant source of NO x over East China with important implications for nitrogen control.
Direct Gasoline Injection in the Negative Valve Overlap of a Homogeneous Charge Compression Ignition Engine

An engine with variable valve timing was operated in homogeneous charge compression ignition (HCCI) mode. In two sets of experiments, the fuel was introduced directly into the combustion chamber using a split injection strategy. In the first set, lambda was varied while the fuel flow was constant. The second set consisted of experiments during which the fuel flow was altered and lambda was fixed. The results were evaluated using an engine simulation code with integrated detailed-chemistry. The auto-ignition temperature of the air-fuel mixture was reached when residual mass of the previous combustion cycle was captured using a negative valve overlap and compressed together with the fresh mixture charge Inducted. When a pilot fuel amount was introduced in the combustion chamber before piston TDC, during the negative valve overlap, radicals were formed as well as intermediates and combustion took place during this overlap provided the mixture was lean. This coon was observed during both the experiments and simulations. Combustion in the gas exchange phase increased the mixture temperature in the main compression stroke, hence advancing the auto ignition timing. The degree of main combustion advancement was found to be dependent on the level of oxygen available in the negative valve overlap and the pilot fuel amount. Calculations showed that intermediates present in the mixture at the start of the compression stroke could result in a significant advancement of auto-ignition and heat release.
Effects of polymeric matrix on accelerated UV weathering properties of wood-plastic composites

Abstract The purpose of this work is to compare the weathering properties of different types of wood-plastic composites (WPCs) based on high-density polyethylene (HDPE), recycled high-density polyethylene (rHDPE-I and rHDPE-II), low-density polyethylene (LDPE), polypropylene (PP), recycled polypropylene (rPP), polystyrene (PS), and recycled polystyrene (rPS). The modulus of rupture (MOR) and modulus of elasticity (MOE) of all WPCs decreased with increasing exposure time of weathering. Of these, the rHDPE-II-based composite exhibited the highest MOR and MOE retention ratios after 2000 h of accelerated ultraviolet (UV) weathering, while the PS-based WPC had the lowest values. In addition, the carbonyl index difference (CID) of various WPCs increased significantly as a function of exposure time. Among them, the PS-based WPCs exhibited the most severe degradation due to photo-oxidation on the surface, while the degradation of PE-based WPCs was the mildest. These results are consistent with the change in the surface cracking and flexural properties of the composites. The PS-based WPCs also exhibited higher moisture diffusion coefficients. The mechanical behavior of WPCs after weathering is influenced by a combination of factors, such as surface oxidation, morphology changes, and moisture absorption.
Analysis of polycyclic aromatic hydrocarbons and their nitro‐derivatives in farm road and barn dust

Road and barn dust samples were analysed for polycyclic aromatic hydrocarbons (PAHs) and nitrated polycyclic hydrocarbons (nitro‐PAHs). For this purpose, suitability of optimised HPLC with fluorimetric detection and GC/MS, both preceded by Soxhlet extraction of samples, gel permeation chromatography and HPLC with silica gel column for clean‐up, fractionation and preconcentration of the analytes, were compared. The detection limits of GC/MS for 16 PAHs ranged from 5 to 10 pg. The detection limits of GC/MS for 11 nitro‐PAHs ranged from 20 to 60 pg and those of on‐line reduction HPLC with fluorescence detection from 0.5 to 5 pg. Therefore, procedures with a higher separation efficiency and a more selective detection, such as GC/MS should be preferred when low concentrations of nitro‐PAHs are expected. PAH concentrations in road dust and barn dust samples ranged from 527 to 5680 μg/kg, and from 114 to 740 μg/kg, respectively. Nitro‐PAHs were detected in one sample of barn dust and two samples of road dust. Th.
MONOSACCHARIDES IN HYDROLYSATES OF WATER-STABLE AGGREGATES AFTER 67 YEARS OF CROPPING TO SPRING WHEAT AS DETERMINED BY CAPILLARY GAS CHROMATOGRAPHY

Two non-replicated, unfertilized, dryland grain rotations—continuous wheat and wheat-fallow — were established in 1912 on a Dark Brown Chernozemic soil in southern Alberta. The effect of long-term cropping on the monosaccharide distribution in the hydrolysates of the water-stable aggregates was assessed. Although all the hydrolysates of the aggregates had the same suite of monosaccharides, the relative proportions changed with cultivation. The eight monosaccharides identified represented between 92 and 96% of the total GC detector response. The monosaccharide C of aggregate organic C for the native prairie varied from 6.9 to 7.6%, while for the continuous wheat and the wheat and fallow of the wheat-fallow rotation it varied from 3.6 to 5.5%, from 1.8 to 5.1%, and from 1.6 to 6.7%, respectively; the higher percentages were associated with the larger aggregate fractions. Except for galactose, the average relative proportions of the monosaccharides identified in the hydrolysates of the water-stable aggregate.
X‐ray diffraction investigations of CaF2 at high pressure

Synchrotron-radiation X-ray diffraction studies of CaF2 at high pressures have been performed on a powder sample up to 45 GPa and on a single-crystal sample up to 9.4 GPa. The bulk modulus of the low-pressure phase was determined to be B o = 87 (5) GPa. A phase transition was observed at about 9.5 GPa. The transition is accompanied by a volume contraction of 11%. The high-pressure phase is orthorhombic PbC12 type (space group Pbnm). The sample only partially reverts to the low-pressure phase upon release of pressure.
VOLATILE ANALYSIS OF OXIDIZED OILS BY A DIRECT SUPERCRITICAL FLUID EXTRACTION METHOD1

Analytical supercritical fluid extraction (SFE) has been utilized to characterize the volatile content of oxidized vegetable oils. A major advantage of SFE is that the temperatures employed in the extraction reduce the probability of hydroperoxide decomposition. To test the SFE-based method, canola, corn, soybean and sunflower oils were stored at 60C for 16 days in loosely capped bottles. The volatiles content of each oil was then desorbed by using supercritical CO2 for extraction directly onto a gas chromatographic column where they were subsequently analyzed by gas chromatography-mass spectrometry. Extraction conditions of 50C and 1500 psi were utilized for both the zero-time oils and the oxidized oils to determine the change in concentration of the individual volatile compounds. Peroxide values (PV) were also determined for each oil and these ranged from 0.4 to 1.1 meq/kg for the zero-time oils and from 52 to 82 meq/kg for the samples aged 16 days. These PV values all correlated well with the increase in concentration of several volatile compounds. Hexanal, the largest volatile peak found in the zero-time oils, measured 0.4–0.6 ppm but increased to 52–366 ppm in the highly oxidized oils. Corn oil was the only oil that had measurable amounts of 2,4-decadienal isomers at the initial sampling time. However, after storage, the decadienal isomers were found to be major volatile components in the total volatiles profile for all of the oils. The described SFE method proved to be a rapid and benign technique and very effective for determining the extent of oxidation in vegetable oils.
The crystal structures of Bi2Mn4O10, Bi2Al4O9 and Bi2Fe4O9

The crystal structures of I^Mn^Oio (BiMn205), Βί2Α14θ9, and Bi2Fe4C>9 have been analyzed. Single crystals of these compounds were grown from the melt of the composition B12O3 · 2M2O3 (M = Mn,Al,Fe) with excess B12O3 added as a flux. These crystals are all orthorhombic, and their unit-cell dimensions are: BioMiuOio: a = 7.540 Ä, b = 8.534 Ä, c = 5.766 Ä B12AI4O9: a = 7.712 Ä, 6 = 8.112 A, c = 5.708 Ä Bi2Fe409: a = 7.905 Ä, 6 = 8.428 A, c = 6.005 Ä. * Present address: Department of Chemistry,Tokyo University, Bunkyo-ku, Tokyo, Japan . 174 N OBUKAZIT N I I Z E K I a n d M A S A T A D A W A C H I These unit cells contain two formula units. Space groups are all Pbam. Threedimensional intensity data was collected by multiple-film integrating Weissen berg photography. The structures were analyzed by interpretation of Patterson sections at ζ = 0, and J, and refined by the least-squares method. The absorption and dispersion corrections were included in data processing. The final R value are O.li, 0.12, and 0.10 for Mn, Al, and Fe compound respectively. Two compounds B12AI4O9 and B12FC.4O3 are isostructural. One kind of Al (Fe) is octahedrally coordinated by six oxygen atoms, and the other kind tetrahedrally by four oxygen atoms. The structure of the Mn compound differs from the other two only in that one oxygen atom located at 00 J in the others is replaced by two oxygen atoms at 0,0, 0.281, and as the result, Mn(2) is coordinated by five oxygen atoms in a square-pyramidal configuration. The coordination of oxygen atoms around Bi is similar to that of sulfur in sulfosalts containing Bi; there are three short Bi—Ο bonds mutually orthogonal, and five more longer bonds.
SENSORY ATTRIBUTES AND ANTIOXIDANT CAPACITY OF SPANISH HONEYS

Twenty-two honey samples from Spain have been assayed in relation to (1) their sensory and physicochemical characteristics; and (2) their radical-scavenging capacity against the stable free radical DPPH. Sensory analysis has been carried out by means of descriptive profiling with a trained panel. In previous studies, a strong correlation of the physicochemical parameters, (1) net absorbance and (2) electrical conductivity, was observed, with the radical-scavenging capacity. Interestingly, some correlations were also observed between the mentioned radical-scavenging capacity and some sensory parameters. Statistical analysis showed that sensory parameters of bitterness and color were directly correlated with the honey antioxidant capacity, whereas the parameters sweetness and crystallization degree were negatively correlated. In terms of sensory appreciation, bitterness and dark color are sensory parameters indicative of the honey scavenging capacity, which is greater in dark honeys, mainly honeydews. PRACTICAL APPLICATIONS The main weight of this work is devoted to the sensory analysis of honeys by the use of objective scales, and to study the relation between these appreciations with the antioxidant properties of artisanal honeys. The main practical application is to improve the knowledge of the consumer about honey, its characteristics and properties, in order to provide criteria for selection. The direct correlation established between some sensory parameters and the antioxidant capacity of honey may enable the consumer to have an idea about the antioxidant capacity of the product. So, the intake of darker and less sweet honeys, which have higher antioxidant activities, in combination with other natural and better-known foodstuffs rich in antioxidants (fruit, vegetables, olive oil, red wine, among others), can be introduced in the frame of an adequate diet.
Chemical composition of the essential oils from the gum and from various parts of Pistacia lentiscus l. (mastic gum tree)

The chemical composition of the essential oils isolated by extraction of mastic gum and by hydrodistillation from leaves, and unripe and ripe fruits of Pistacia lentiscus L. was studied. Up to 250 constituents were detected in the oils. From these components, about 90 could be identified and quantified, comprising over 95% of the oils. The gum oil contained 90% monoterpene hydrocarbons, and the leaf oil 50% monoterpene hydrocarbons, 20% oxygen-containing monoterpenes and 25% sesquiterpenes, whereas the fruit oils consisted of 90–96% monoterpene hydrocarbons and 2–3% sesquiterpenes. The main constituents of the gum oil were: 79% α-pinene and 3% β-myrcene; of the leaf oil: 11% α-pinene and 19% β-myrcene; of the unripe-fruit oil: 22% α-pinene and 54% β-myrcene, and of the ripe-fruit oil: 11% α-pinene and 72% β-myrcene. α-Terpineol and terpinen-4-ol (together 15%) were the dominant monoterpene alcohols in the leaf oil. Undecan-2-one (0.1–0.6%) seems to be an olfactively important constituent of the oils. Dimyrcene (four isomers) occurred (0.5-4.4%) in all the oils.