Miracle-dz/UniFAR-FTUs huggingface dataset:
Thermal and chemical stability and adhesion strength of Pt nanoparticle arrays supported on silica studied by transmission electron microscopy and atomic force microscopy

The thermal, chemical, and mechanical stability of Pt nanoparticles supported on silica has been measured with transmission electron microscopy (TEM) and atomic force microscopy (AFM). The nanoparticle arrays were fabricated using electron beam lithography, which produced uniform particle sizes (20 ± 1 nm) and uniform interparticle distances (150 ± 1 nm). TEM studies provided information about the array periodicity, particle dimensions, and crystallinity of individual particles. Before heat treatments, individual Pt nanoparticles were found to be polycrystalline with crystalline domain sizes of 4−8 nm. After heating to 1000 K in high vacuum (10-7 Torr) and 1 atm H2, the crystalline domain sizes within individual particles grew larger, without noticeable deformation of the array. A similar enlargement of crystalline domains was seen in 1 atm O2 at a lower temperature of 700 K. Using contact mode AFM, the height, periodicity, and adhesion of the particles were determined. On a newly prepared sample, Pt part.
1,3-Dipolar Cycloadditions. Past and Future†

In contrast to the very large number of special methods applicable to syntheses in the heterocyclic series, relatively few general methods are available. The 1,3-dipolar addition offers a remarkably wide range of utility in the synthesis of five-membered heterocycles. Here the “1,3-dipole”, which can only be represented by zwitterionic octet resonance structures, combines in a cycloaddition with a multiple bond system – the “dipolarophile” – to form an uncharged five-membered ring. Although numerous individual examples of this reaction were known, some even back in the nineteenth century, fruitful development of this synthetic principle has been achieved only in recent years.
Reduction Potentials of One-Electron Couples Involving Free Radicals in Aqueous Solution

Reduction of an electron acceptor (oxidant), A, or oxidation of an electron donor (reductant), A2 −, is often achieved stepwise v i a one‐electron processes involving the couples A/A⋅− or A⋅−/A2 − (or corresponding prototropic conjugates such as A/AH⋅ or AH⋅/AH2). The intermediate A⋅−(AH⋅) is a free radical. The reduction potentials of such one‐electron couples are of value in predicting the direction or feasibility, and in some instances the rate constants, of many free‐radical reactions.Electrochemical methods have limited applicability in measuring these properties of frequently unstable species, but fast, kinetic spectrophotometry (especially pulse radiolysis) has widespread application in this area. Tables of c a. 1200 values of reduction potentials of c a. 700 one‐electron couples in aqueous solution are presented. The majority of organic oxidants listed are quinones, nitroaryl and bipyridinium compounds. Reductants include phenols, aromatic amines, indoles and pyrimidines, thiols and phenothiazines. Inorganic couples largely involve compounds of oxygen, sulfur, nitrogen and the halogens. Proteins, enzymes and metals and their complexes are excluded.
Quasi-Classical Trajectory Study of the Reaction N(4S) + H2 (v = 0, j = 0) → NH + H(2S) Stereo Dynamics Properties

Using a quasi-classical trajectory study method, the stereodynamics for N(4S) + H2 (v = 0, j = 0) → NH + H(2S) reaction have been investigated on an accurate NH2 potential energy surface (PES) reported by Poveda and Varandas [L. A. Poveda, A. J. C. Varandas, Phys. Chem. Chem. Phys. 7(2005)2867], in the collision energy range of 25–70 kcal mol−1. The four generalized polarization dependent differential cross-sections (PDDCSs) (2π/σ)(dσ00/dω t ), (2π/σ)(dσ20/dω t ), (2π/σ)(dσ22+/dω t ), (2π/σ)(dσ21−/dω t ) and the rotational-state distributions of product NH are calculated in the center-of-mass frame at three different collision energies. The distribution of the angle between k ′ and j′, P(θ r ), the distribution of the dihedral angle denoting k - k ′- j ′ correlation, P(φ r ), as well as the angular distribution of product rotational vectors in the form of polar plots P(θ r , φ r ) are discussed. The results indicate that the product rotational angular momentum j ′ is not only aligned, but also oriented along the negative direction of y-axis. The calculated results reveal that the stereo-dynamics properties of the title reactions are sensitive to the collision energy.
Gene Expression Profile of Prostate Cancer Patients by Chemiluminescent Analysis

Abstract The heterogeneous and multifactorial nature of prostate cancer that generates differential gene expression patterns in tumor cells leads us to investigate the molecular mRNA profiling of 14 genes through streptavidin-alkaline phosphatase–labeled RNA probes from tissue samples with prostate cancer and benign prostatic hyperplasia. Hybridizations were performed using cDNA amplification for each gene spotted onto positively charged nylon membranes and densitometry readings. The constitutive gene GAPDH was used to normalize the data. The methods developed in this study may be applicable to the prostate cancer diagnosis using AR, CEACAM-1, DD3 (also called PCA3), OPN-1, and PSMA significant differential expression.
Kinetics of 14C-furazolidone in piglets upon oral administration during 10 days and its interaction with tissue macro-molecules

After dosing piglets orally with 14C‐furazolidone (75 mg/animal/day) for 10 days, no accumulation of the drug could be detected in the blood. The half life of furazolidone in blood after the last oral administration on day 10 was 60 minutes. In blood, radioactivity reached a plateau of approximately 10 ppm equivalents of parent compound at day 6 of the medication. After a relatively fast decrease of radioactivity during the first day of the withdrawal period, a much slower decrease could be observed in the blood with a half life of approximately 6 days. 1 day after stopping the medication almost all the radioactivity in plasma appeared to be associated with plasma proteins. Furazolidone could not be detected in muscle, fat, kidney and liver of piglets two hours after the last administration. However, the level of radioactivity was 5.7–7. 2μg equivalents per gram in muscle, 6.0–9. 2μg equivalents per gram in fat, 30.1 μg equivalents per gram in kidney and 32.9 μg equivalents per gram in liver. After a withdr.
New furanoid and seco-labdanoid diterpenes from Leonurus persicus

Six new labdane diterpenoids, leopersin C (1), 15-epi-leopersin C (2), leopersin D (3), leopersin E (4), leopersin F (5), and 7-epi-leopersin F (6) were isolated from the aerial parts of Leonurus persicus. Their structures were elucidated by extensive use of 1D and 2D homonuclear and heteronuclear shift-correlated 1 H- 13 C-NMR spectroscopic methods. Leopersin C (1) and 15-epi-leopersin C (2) were obtained as a C-15 epimeric mixture, and their structures were elucidated on this basis.
Effect of Severity on Hydrotreating of Demetallized Oil Monitored by 1H-NMR Spectroscopy

Abstract A study on aromatic hydrogenation of demetallized oil has been carried out using a commercial catalyst under pilot plant reaction conditions similar to those found in industrial processes. The feedstock was contacted with the catalysts in a trickled bed reactor unit at 330°C, 350°C, and 370°C. A combination of physicochemical characterization of feed and products and 1H-NMR spectra was used to monitor changes in the aromatic fractions caused by variation in reaction temperature. Analysis of the 1H-NMR spectra, along with the quantitative variation in the areas of the resonance lines, showed that the diaromatics with relatively long alkyl changes present in the lightest distillation cuts of the products were highly hydrogenated. In contrast, smaller changes in aromaticity in the heaviest fractions were observed under the same conditions. A limit of about 2 wt% of the integrals corresponding to the diaromatic+ species suggests a thermodynamical limitation of hydrogenation under the studied reaction conditions.
VELOCITY DISTRIBUTIONS IN THE FLOW OF SOLID PARTICLES IN AN INCLINED OPEN CHANNEL

The velocity of solid particles flowing in an inclined open channel of which the bottom plate was covered with very rough sandpaper was measured for three kinds of particle. Except for the region near the bottom plate, the velocity distribution normal to the bottom plate appeared to be linear. The velocity gradient in that region was almost independent of the thickness of the particle layer and increased as the slope of the channel became steep. These observed velocity distributions were analyzed based on the variational principle, by which the velocity distribution could be obtained as the solution which minimized a certain integral consisting of several energy terms. It was found that such analysis could explain the main feature of the particle flow in an inclined channel, and the following relation between stress and rate of deformation was obtained. τyz=kτy-kμy(dvz/dy) It was also found that the critical inclination angle of the channel, which was anticipated by the analysis, corresponded to the angle of repose.
Ag+- and Pb2+-Doped SrTiO3 Photocatalysts. A Correlation Between Band Structure and Photocatalytic Activity

We have prepared the two series of yellowish (PbxSr1-x)TiO3 (x = 0.01−0.3) and (AgySr1-y)(Ti1-yNby)O3 (y = 0.03−0.1) powders. The UV−vis absorption spectra of these powders indicate that the bandgaps of (PbxSr1-x)TiO3 were narrowed but those of (AgySr1-y)(Ti1-yNby)O3 were kept constant in comparison with that of SrTiO3. Combining the results of ab initio DOS calculations, we were convinced that the valence band of (PbxSr1-x)TiO3 consisted of Pb 6s and O 2p and that the top of the valence band shifted to a higher energy, resulting in the visible light absorption. In contrast, (AgySr1-y)(Ti1-yNby)O3 formed the isolated miniband composed of Ag 4d in the forbidden band above the valence band composed of O 2p, resulting in the visible light absorption. We investigated the band structure dependence on photocatalytic oxidative activity evaluated by gaseous 2-propanol decomposition under UV (300−400 nm) and visible (400−530 nm) light irradiations. The quantum efficiencies of the photocatalytic reaction with the (.
DETERMINATION OF ANTIBIOTIC FOSFOMYCIN IN CHICKEN SERUM BY LIQUID CHROMATOGRAPHY-TANDEM MASS SPECTROMETRY

A high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method was developed for the determination of fosfomycin in chicken serum using fudosteine as the internal standard. Serum samples were treated with methanol to precipitate proteins. A subsequent clean up using liquid-liquid extraction followed by dilution was performed to eliminate phospholipids which are prone to produce unwanted matrix effects. The HPLC-MS/MS system involved the use of an isocratic mobile phase on a cyano stationary phase column and electrospray ion source operating in negative ion mode. Single reaction monitoring of transitions m/z 137 →79 and 178 →91 was performed on a triple quadrupole mass spectrometer to quantify fosfomycin and fudosteine, respectively. Response was linear over the range of 0.1 to 50 μg mL−1. Recovery ranged from 95 to 108%. Accuracy determined for spiked samples at 5, 10, and 20 μg mL−1 was −7.8, 1 and −0.7%, respectively, expressed as relative error. Within day and between days precision, in terms of coefficient of variation, were less than 10% for all concentrations. The developed method was successfully used in a pharmacokinetic study after oral administration of calcium fosfomycin to broiler chickens.
The Initial Velocities of Fragments from Bombs, Shell and Grenades,

Abstract : To assess the efficiency of a projectile, it is often required to predict the initial velocities of the fragments from a knowledge of the dimensions of the metal casing and the character and quantity of explosive. Between a grenade containing 1 1/2 ounces of H.E. and a bomb containing 3000 pounds of H.E. the difference in scale is so great, that it is a question whether any simple scheme will apply over the whole range. A theory is put forward, making the following assumption, that the contribution to the total kinetic energy made by the detonation of unit mass of explosive is independent of the size of the projectile. In a large bomb the explosion gases have actually more kinetic energy than the fragments. A simple expression is found for the average initial velocity in terms of the charge-weight ratio; C/M = 0.06 to C/M = 5.6.
The different temperature sensitivity of gross N transformations between the coniferous and broad-leaved forests in subtropical China

Abstract An isotopes (15N) tracing study was conducted under laboratory conditions to evaluate the effects of temperature changes (5–35°C) on gross nitrogen (N) transformations in two contrasting soils of subtropical broad-leaved forest (BF) and coniferous forest (CF). With increasing temperature in BF soils, gross N immobilization rates increased to a lesser extent than gross N mineralization rates, which resulted in an increase in net N mineralization. By contrast, in the CF soils, the equally proportional increase in gross N mineralization and immobilization that occurred at 5–25°C led to a lack of change in net N mineralization in response to temperature, whereas increasing the temperature from 25 to 35°C resulted in a greater increase in the gross N mineralization rate than in the gross N immobilization rate, thereby increasing net N mineralization. The temperature sensitivity of gross nitrification was observed in the BF soils but not in the CF soils. The same temperature sensitivity of gross N mineralization and immobilization rates in the CF soils at temperatures below 25°C, combined with negligible nitrification rates, suggests that the N available for plants and microbial growth, and the loss by nitrate (NO3 −) leaching, is probably low in the CFs.
Removal of Lead, Copper, Zinc and Cadmium from Water Using Phosphate Rock

Abstract: Removal of Pb2+, Cu2+, Zn2+and Cd2+from aqueous solutions by sorption on a natural phosphate rock (FAP) was investigated. The effects of the contact time and initial metal concentration were examined in the batch method. The percentage sorption of heavy metals from solution ranges generally between 50% and 99%. The amount of sorbed metal ions follows the order Cu>Pb>Cd>Zn. Heavy metal immobilization was attributed to both surface complexation of metal ions on the surface of FAP grains and partial dissolution and precipitation of a heavy metal‐containing phosphate. The very low desorption ratio of heavy metals further supports the effectiveness of FAP as an alternative and low‐cost material to remove toxic Pb2+, Cu2+, Zn2+and Cd2+from polluted waters.
Influence of storage temperature on fruit ripening and olive oil quality

Olives (Olea europaea cv. Picual) used for oil production were stored for 60 days at three different temperatures (ambient, 5 °C, and 8 °C) in containers used for fruit storage, each with a capacity for 64 kg of olives. The quality of both the fruits and the oils extracted from these fruits was analyzed. Fruit storage at 5 °C maintained the initial sensorial and chemical qualities of the oil for 45 days, but at 8 °C, these qualities were maintained for only 15 days. At room temperature, these qualities deteriorated just after 7 days of storage. Keywords: Olea europaea; postharvest; refrigeration; cold storage
Tuning the doping site of Sb ions in thermoelectric NaxCoO2 by varying Na content

Through comprehensive density functional calculations the crystallographic and electric properties of both pristine and Sb doped NaxCoO2 (x = 1, 0.875 and 0.75) was investigated. Results demonstrate that the preferred incorporation site of Sb dopants in the complex structure of strongly depends on the Na content. For x = 1, Sb substitutes a Co with margin of stability of 3.76 eV. This margin of stability decreases to 3.60 eV for x = 0.875 and vanishes altogether for x = 0.75. In the latter case, Sb dopants are stabilized by substituting Na site. The influence of the band structure of the pristine systems on Sb behavior was also studied. The results provide new insights to guide the experimentalists in engineering and manipulating the physical properties of NaxCoO2 in the effort of development of high performance sodium cobaltate based multifunctional materials.
Determination of rare-earth elements in environmental water using chelating resin disk separation/ICP-MS.

イミノ二酢酸キレート樹脂ディスクを用いた環境水中の希土類元素の予備濃縮法の開発を行い, ICP-MSを用いて, 環境水試料中の希土類元素の定量を試みた. 試料をpH3に調整することにより, 本樹脂ディスクを用いて希土類元素及びTh, Uの濃縮と海水試料の主成分であるアルカリ, アルカリ土類元素の除去が迅速に行える. アルカリ土類金属全般を除去することができ, 試料中のBaもCaと同時に分離されることから, ICP-MSの測定の際にBaOの妨害の影響を受けるユーロピウムについても定量が可能である. 本法を用い, 四つの環境標準試料 {河川水標準物質, JAC 0031 (日本分析化学会), SLRS-3 (NRC Canada), 海水標準試料CASS-3, NASS-4 (NRC Canada)} 及び, 青森県内の五つの環境試料 (海水1, 汽水3, 淡水1) 中の希土類元素を測定した.
Constraints on alternative cosmological models from clustering and redshift-space distortions

In this Thesis I have exploited the most recent observational data from CMB, BAO and growth rate of LSS as well as N-body simulations of modified gravity, to investigate the spatial properties of the large scale structure of Universe by constraining cosmological parameters in the framework of alternative cosmologies. The research is focused on clustering and redshift space distortions as cosmological probe. In this context I have studied the degeneracies between modified gravity and massive neutrinos as well as the robustness of the methodology for constraining the linear growth rate including realistic systematics, implementing suitable parametrizations of the redshift-space distortions in the perspective of current and future galaxy surveys.
Morphology and Dielectric Property of Homogenous BaTiO3/PVDF Nanocomposites Prepared via the Natural Adsorption Action of Nanosized BaTiO3

The development of a novel technique for the preparation of homogeneous BaTiO 1 /polyvinylidene fluoride (BT/PVDF) nanocomposites without obvious agglomeration of BaTiO 3 particles was reported in this communication. The morphology, structure, and frequency dependence of the dielectric properties of the nanocomposites were characterized. All results show that the dielectric properties of the nanocomposites in this study are desirable, and the process for preparing the nanocomposites has potential applications in the electronic industry.
Effect of Irrigation with Secondary Treated Effluent on Essential Oil, Antioxidant Activity, and Phenolic Compounds in Oregano and Rosemary

Shortage of water throughout the world dictates utilization of marginal water for irrigation. Treated urban wastewater is a common alternative water source for irrigation in arid and semiarid regions. In this study we aimed to evaluate the effect of irrigation with secondary-treated effluent on plant development, essential oil yield, antioxidant activity and selected antioxidant phenolic compounds in two commercial cultivars of the aromatic species, oregano (Origanum vulgare L.) and rosemary (Rosmarinus officinalis L.). The applied treated effluent contained higher levels ofNa, Cl, HCO 3 -1 , P, K, NH 4 +1 , NO 3 -1 , Ca+Mg, B, Mn, and Fe than the local potable water used as control, and were characterized by higher values of electrical conductivity (EC), pH, and sodium absorption ratio (SAR). Since effluent effects on plants can become apparent only following several years of exposure, the plants were exposed to the water treatments for 3 yr. Despite the differences in water quality, the effluent did not affect yield quantity and quality in either crop. Plant morphological development, biomass production, percent dry leaves of the total biomass, quantity and composition of the essential oil produced, antioxidant activity, and contents of selected antioxidant-phenolic compounds were not affected by irrigation with treated effluent compared with potable water. Our results demonstrate that both oregano and rosemary are suitable as industrial crops for essential oil and antioxidant production under irrigation with secondary-treated municipal effluent because their yield quantity and quality were not affected.
Fast Electron Transport in Discotic Columnar Phases of Triphenylene Derivatives

We investigated the negative carrier transport in discotic columnar phases of three triphenylene derivatives by time-of-flight experiments. We found that transient photocurrents had two transits of negative carriers, which appeared in different time ranges. The mobilities obtained from the fast transit were 2×10-2, 2×10-3, and 4×10-4 cm2/(V·s) for 2,3,6,7,10,11-hexabutyloxytriphenylene (H4T), 2,3,6,7,10,11-hexapentyloxytriphenylene (H5T) and, 2,3,6,7,10,11-hexahexyloxytriphenylene (H6T), respectively. These mobilities are almost the same as hole mobilities for each triphenylene derivative, indicating electron transport. On the other hand, the mobilities from the slow transit were about 10-5 cm2/(V·s), and exhibited the Arrhenius type of temperature dependence irrespective of the three triphenylene derivatives, indicating ionic transport. We discuss the nature of the negative carrier transport in triphenylene derivatives including the electronic and ionic transports.
Cobalt nanoparticles encapsulated in nitrogen-doped carbon as a bifunctional catalyst for water electrolysis

The hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) are important electrocatalytic processes in water electrolyzers. Identifying efficient non-precious metal catalysts for HER and OER remains a great challenge for applications in different kinds of electrolyzers. Herein, we report that cobalt nanoparticles encapsulated in nitrogen-doped carbon (Co@N–C) show high activity and durability for HER in a wide pH range and for OER in alkaline medium as a bifunctional catalyst. The HER and OER activities of Co@N–C are higher than those of multiwall carbon nanotube and iron nanoparticles encapsulated in nitrogen-doped carbon with a similar content of nitrogen. Electrolyzer prototypes using Nafion NRE-212 as electrolyte membrane and Co@N–C as cathode or anode catalyst are constructed, showing potential practical applications in water splitting.
Partitioning of inorganic orthophosphate in soil‐water systems∗

The fate of phosphorus in terrestrial ecosystems is of concern because it has been identified as a major contributor to eutrophication of surface water supplies. In order to ascertain the impact of inorganic phosphate on water quality, the chemical speciation, concentration, bio‐availability, and distribution in the soil‐water system are prerequisites. Environmental regulations and land disposal of organic wastes also require quantifying the partitioning of inorganic phosphate between solid and solution phases in soil‐water systems. In order to develop a partition coefficient or a partition function, several aspects of the solution chemistry of inorganic phosphate were reviewed. Several sorption mechanisms and mathematical models have been used to describe equilibrium sorption and the time‐dependent phosphate removal from solution. The most frequently applied equilibrium model was the Langmuir equation in the single‐surface form. Because of the amount of Langmuir data available, Langmuir parameters were c.