Miracle-dz/UniFAR-FTUs huggingface dataset:
Cadmium,andMercuryin HumanKidneyTissue

Simultaneous analyses of human kidney cortex tissues for zinc, cadmium, and mercury were made by neutron activation combined with either radiochemical separation prior to counting or direct germanium detector gamma spectrometry. For some samples from adults and infants, analyses were made on successive tissue slices from the outer cortex to the inner medulla. Zinc and cadmium show a concentration gradient, with the highest concentrations at the outer medulla. Mercury was preferentially concentrated deeper in the cortex. All three metals, and especially cadmium, are found in higher concentrations in adult than in infant kidneys. A mechanism for the rapid increase in renal cadmium is proposed. The heterogeneous renal distribution of the elements indicates that careful sampling is necessary in any comparative study of their occurrence in human kidney tissue. Additional Keyphrases metallothionein in detoxification #{149} heterogeneity in content, inter- and intrarenal gamma spectrometry #{149} neutron activation #{149} sampling error #{149} age- and environmentally-related effects
Infrared spectra of nitric and hydrochloric acid hydrate thin films

The mono-, di-, and trihydrates of nitric acid have been prepared as thin crystalline films and characterized by their distinctive infrared spectra. The infrared spectra of the mono- and trihydrates have been found to be significantly different than previously reported, to the extent that the published spectra are of questionable use. The spectrum of the dihydrate of HNO{sub 3}, which has not been reported previously, differs sharply from that of the other hydrates primarily because of effects indicative of a much more severely distorted nitrate ion. Infrared spectra are also reported for the tetra- and hexahydrate of HCl. The spectrum of the tetrahydrate largely duplicates existing data but is included for comparison with the previously unpublished spectrum of the hexahydrate. Sharp O-D stretching bands of dilute HOD in the hexahydrate are indicative of proton ordering within the network of the waters of hydrate and affirm the view based on x-ray data that, unlike the highest crystalline hydrate of HClO{sub 4}, the structure does not mimic that of the classical clathrate hydrates.
Indole Alkaloids from Two Species of Ophiorrhiza

Extraction of the aerial parts of Ophiorrhiza rosacea Ridley (Rubiaceae) has yielded harman-2-oxide (1). Extraction of the aerial parts of O. kunstleri King yielded the alkaloids palicoside (3) and 3,14-didehydro-19- methylnormalindine (8). The structures of these compounds followed from their spectroscopic properties.
Driving Forces for Enzyme Adsorption at Solid-Liquid Interfaces: 1. The Serine Protease Savinase

Abstract The adsorption mechanism of the alkaline protease Savinase from Bacillus lentus has been investigated. Adsorption isotherms for solid-liquid interfaces were determined and the interactions of importance for the adsorption of this protease were examined by varying pH, ionic strength, temperature, and nature of the surface. The adsorption of Savinase appeared to be determined by electrostatic interactions between the surface and the enzyme, dehydration of hydrophobic parts of the enzyme and substrate surfaces, and lateral repulsion between the adsorbed Savinase molecules. The contribution of the dehydration of hydrophobic surfaces to the driving force is less than that for the adsorption of proteins, such as RNase, reported in the literature. It was concluded that the enzyme adsorbs without unfolding on the interface. As the adsorption strongly depended on the electrostatic interactions between the surface and the enzyme, the contributions of electrostatic lateral repulsion and dehydration of hydrophobic parts of the surface to the Gibbs energy are on the same order of magnitude. The range of the lateral repulsion extends beyond the Debye length. The relative importance of the electrostatic interaction resulted in a decrease of adsorption on a negatively charged surface with increasing pH. Under attractive electrostatic conditions the adsorbed amount decreased with increasing ionic strength. The adsorption proved to be dynamic (protein molecules readily replaced adsorbed ones), although this exchange was not reversible in the case of dilution. On a hydrophobic surface the adsorption was reversible toward changes in pH and ionic strength.
Etching of Zirconium Oxide, Hafnium Oxide, and Hafnium Silicates in Dilute Hydrofluoric Acid Solutions

Oxides and silicates of zirconium and hafnium are actively being considered and tested to replace SiO_2 as the gate material. Though these materials have the high-dielectric constant ( k ∼ 20–25) needed to provide a larger equivalent oxide thickness, they are very refractory and difficult to etch by wet and dry methods. In this paper, work done on wet etching of ZrO_2, HfO_2, and HfSi_xO_y in dilute hydrofluoric acid (HF) solutions is presented and discussed. Experiments were done on various high- k films deposited by metalorganic chemical vapor deposition. It was found that the as-deposited high- k films can be dissolved with a good selectivity over SiO_2 in dilute HF solutions, but heat-treated high- k films are difficult to etch with good selectivity over SiO_2 under the same conditions.
Study of the direct Fourier method for the three‐dimensional reconstruction of objects in the case of a missing angular data range

Some practical and theoretical considerations on the three‐dimensional reconstruction of an object from its two‐dimensional projections by the direct Fourier method have been obtained using computer generated images. The procedure applied has been designed to study the specific problems derived from the collection of images in transmission electron microscopes (TEM), making special emphasis on images of biological objects. The study of the calculated point spread function (PSF) of the experimental system and the mean and variance profiles of the reconstructions have provided useful criteria to assess the quality and the interpretability of three‐dimensional reconstructions of real data.
Flow Structures and Mixing Mechanisms Behind a Disc Stabilizer With a Central Fuel Jet

Detailed information about the reacting flow field in a double concentric-flow burner equipped with a circular disc of large blockage ratio (67%) was obtained by a laser-Doppler velocimetry. Meanwhile, fluorescence spectra of the hydroxyl radical, excited with PLIF, were used to probe the reacting features of the nonpremixed flame. From these data we propose four typical flow patterns, which are designated Types A, B, C, and D. The flow features were dominated by the annular air at small fuel-air velocity ratio (γ), whereas the influence from the central fuel jet gradually became dominant when the velocity ratio was promoted. Regions with strong turbulence intensity also shifted with the variation of fuel-air velocity ratio from the outer recirculation zone toward the inner area. At small γ, the combustion reaction mainly occurred around the outer shear layer of the downstream recirculation zone, which was associated with maximum turbulence intensity. Most reaction, nevertheless, spread over all the recirculation bubble at a large γ; regions of reaction seemed to correlate poorly with turbulence intensity. From the information about the flow field and thermal structure, four typical mixing mechanisms are illustrated, which reveal a positive role played by the large-scale motion of the recirculated vortices. The recirculation bubble provides a low-velocity environment of prolong the stagnation of reactants, which is a key factor to stabilize the flame as the fuel-air velocity ratio becomes very large.
Characterization of phosphate species in urban sewage sludges by high‐resolution solid‐state 31P NMR

Summary The mineral forms of phosphorus in three urban sewage sludges were characterized using high-resolution solid-state phosphorus-31 nuclear magnetic resonance (NMR) coupled to a sequential extraction. The sludges studied were an anaerobically-digested and heat-treated sludge (Paris-Acheres), an activated sludge (Briare) and an anaerobically-digested sludge (Nancy). NMR observations were conducted using both single-pulse and cross-polarization sequences in order to distinguish between 31P nuclei far from 1H nuclei, and 31P located within a fraction of a nanometre of 1H. This approach showed that a complex mixture of P species was present in these sludges. A mixture of hydrogenated octocalcium phosphates and apatites was observed in the three samples. Monetite was present in the anaerobically-digested sludge and brushite in the activated sludge. Dehydrogenated condensed calcium phosphates (compounds with a Ca:P ratio higher than 1.0 such as fluorapatite or tricalcium phosphate) and dehydrogenated pyrophosphates were also probably present in the anaerobically-digested sludge. A poorly-ordered wavellite was observed in the three sludges after the HCl extraction. However, results were inconclusive as to whether this mineral was present in the three sludges, or had been precipitated during the sequential extraction.
Chemical Constituents from the Root and Aerial Parts of Rosa taiwanensis

The root and aerial parts of Rosa taiwanensis Nakai contain the chemical constituents phenols, unsaturated acids, loliolide, abscisic acid, flavones, sterols, lupeol, betulin, betulinic acid, oleanolic acid and ursolic acid derivatives. Among them, 2α,3α-dihydroxyurs-12,19-dien-28-oic acid and its C-3 epimer are new compounds.
Zinc sorption–desorption by two Andepts: effect of pH and support medium

Summary Laboratory experiments were carried out to evaluate the effect of pH, ionic strength and electrolyte composition on zinc sorption–desorption by two Andepts from the Canary Islands (Spain). At the natural soil pH, the soils exhibited little net negative surface charge and small Zn sorption capacities. More than 75% of the sorbed Zn was apparently strongly bonded. The pH greatly influenced the sorption–desorption reactions. Sorption increased with increasing pH, and retention increased abruptly at pH > 6.0. Sorption also occurred at pH values below the point of zero charge (PZC) of the soils, when most of the surface sites are positively charged. Desorption decreased continuously with rising pH and became a trace at pH > 6.0. An increase in the ionic strength of the background electrolyte decreased Zn sorption and enhanced the amount of sorbed metal that could be subsequently released. In the two soils, Zn sorption diminished somewhat in the K and Ca electrolytes as compared with the Na electrolyte. However, this did not happen at small Zn loadings. Desorption was not affected by the type of electrolyte and cation used. The results are consistent with chemisorption being responsible for most of the sorption. The results also suggested a strong affinity sorption or even precipitation at high pHs.
Phase equilibria in extended simple point charge ice‐water systems

The characteristics of the solid/liquid transition for a modified Simple Point Charge model of water have been determined using free energy calculations supported by nonequilibrium Molecular Dynamics (NEMD) simulations. We have considered the behavior of liquid water and of a variety of ice phases. Unlike real water, the stable crystalline phase at 1 bar is not hexagonal ice I, but a denser new ice phase. The melting point of this ice was found to be near 295 K. The lower‐density ices, Ih and Ic, are less stable than water down to the glass transition temperature. The conclusions are supported by NEMD simulations of the behavior of the planar crystal–liquid interface for these different cases. The first report of the growth of ice from water using molecular simulation is shown here. The influence of the components of the intermolecular potential on the stability of the ice polymorphs is investigated. It is found that, for ice I to be the stable phase, the Lennard–Jones attractive part should be reduced, a.
Thermal rate constants of the N 2 +O→NO+N reaction using ab initio 3 A″ and 3 A' potential energy surfaces

Theoretical determinations of the thermal rate constants and product energy distributions of the N2+O→NO+N reaction, which plays a crucial role in hydrocarbon air combustion and high temperature air chemistry, are carried out using a quasiclassical trajectory method. An analytical fit of the lowest 3A′ potential energy surface of this reaction based on the CCI ab initio data is obtained. The trajectory study is done on this surface and an analytical 3A″ surface proposed by Gilibert et al. [J. Chem. Phys. 97, 5542 (1992)]. The thermal rate constants computed from 3000 to 20 000 K are in good agreement with the available experimental data. In addition, the dependence of the rate constant on the N2 internal state is studied. It is found that a low vibrational excitation can reduce the rate constant of this reaction by a factor of 3. Also, we investigate the effect of the N2 vibrational state on the product NO vibrational distribution, and it is found that at low N2 vibrational states, the NO vibrational dist.
Higher analytic derivatives. IV. Anharmonic effects in the benzene spectrum

This is the fourth in a series of papers on the ab initio calculation of the third and fourth derivatives of the energy of a molecule. In this paper we examine anharmonic effects in the infrared and Raman spectra of benzene. The following spectroscopic properties have been calculated; ab initio anharmonic corrections (ω−ν) and estimates of the harmonic frequencies ω for all 30 vibrational modes of C6H6 and C6D6, a complete set of anharmonic constants x and g for C6H6, intensities for the infrared spectrum of C6H6 up to 6148 cm−1, and anharmonic corrections to the Raman scattering factors for the fundamental modes of C6H6. In addition, we have improved on previous calculations of the equilibrium geometry of benzene, using Mo/ller–Plesset perturbation theory and a triple zeta plus double polarization (TZ2P) basis. We have also calculated a zero‐point vibrationally averaged geometry which is in good agreement with the experimental R0 value. All these calculations are based on a Hartree–Fock quartic potential.
ENDOWED AND CREATED RESOURCES TOWARDS ECOTOURISM COMPETITIVENESS: NATURAL PROTECTED AREAS IN SARAWAK

The richness of natural areas in Malaysia leads ecotourism to become one of the rapidly growing industries within the nation. The present study aims to discover the impacts of endowed and created resources on ecotourism competitiveness from both domestic and international tourists’ perspectives. 189 respondents had completed the questionnaire and WarpPLS 6.0 was used to test the model created. The results revealed that endowed resources (e.g. natural resources and cultural heritage attraction) are positively and significantly correlated to ecotourism competitiveness. Surprisingly, created resources (e.g. tourism infrastructure and range of activities) were observed to have no significant relationship with ecotourism competitiveness.
Rice Yields Enhanced through Integrated Management of Cover Crops and Phosphate Rock in Phosphorus‐deficient Ultisols in West Africa

The relatively low solubility and availability of phosphorus (P) from indigenous phosphate rock could be enhanced by legumes in the acid soils of humid forest agroecosystems. Crotalaria micans L. was grown in a screenhouse without P or with P from triple superphosphate (TSP) and Malian Tilemsi Rock P. The P response of 20 cover crops was field‐evaluated using TSP and Rock P. In both experiments, the fertilized cover crops were followed by upland rice without mineral N or P application. Mean rice grain yield and agronomic residual P‐use efficiency were similar for both P sources. In the field, 1‐year fallow treatment of Canavalia ensiformis (velvet bean) supplied with Mali Rock P gave the highest rice grain yield of 3.1 Mg ha−1, more than 180% that of 2‐year continuous unfertilized rice (cv. ‘WAB 56‐50’). Among continuous rice plots, ‘NERICA 2’ (interspecific rice) supplied with Rock P produced the highest yield (2.0 Mg ha−1), suggesting that ‘NERICA 2’ might have greater potential to solubilize rock P. Results indicate that when combined with an appropriate legume, indigenous rock‐P can release sufficient P to meet the P requirement of the legume and a following upland rice crop in rotation. WARDA Manuscript No. 020607.
Fertilizer management studies on growth and productivity of hybrid Indian mustard Brassica juncea (L.)

A field experiment, consisting of four levels of recommended dose of fertilizer (NPK & S: 80, 40, 0 & 60 kg/ ha) viz. 75 %, 100 %, 125 % & 150 % of RDF and four varieties of Indian mustard [Brassica juncea (L) Czern & Coss. ] viz. DMH-1, NRC-HB 506, PAC-437 and Kranti (National Check), was carried out in split plot design with three replications during rabi 2009-10 and 2010-11. Hybrid cultivar DMH-1 performed best in terms of yield and yield attributing characters, followed by NRC-HB 506, which were found significantly higher over the PAC-436 and Kranti (NC) under different fertility levels. Application of 100 % RDF (80 kg N + 40 kg P2O5) produced significantly higher seed yield (2372 kg/ha) and other yield attributes viz. number of primary branches / plant (4.55), number of secondary branches / plant (9.40), number of siliquae / plant (195.35), seed weight (8.27 g/plant) test weight (4.63), stover yield (4771 kg/ha), oil content (41.30%) , oil yield (933 kg/ha), total N uptake (114.94 kg/ha ), total P uptake (27.21 kg/ha ), net return (Rs.36776) and B:C ratio (2.62) as compared to 75 % RDF and found statistically at par with 125 % & 150 % RDF. Hence, the farmer’s could economically benefited by using DMH-1 Indian mustard hybrid variety with recommended doses of fertilizers.
Effects of aging on PuO2·xH2O particle size in alkaline solution

Abstract Between 1944 and 1989, 54.5 metric tons of the United States´ weapons-grade plutonium and an additional 12.9 metric tons of fuels-grade plutonium were produced in and separated from irradiated uranium metal fuel at the Hanford Site. Acidic high-activity wastes containing around 600 kg of plutonium were made alkaline and discharged to underground storage tanks from separations, isolation, and recycle processes to yield average plutonium concentration of about 0.003 g/L (or ∼ 0.0002 wt. %) in the ∼ 200 million liter tank waste volume. The plutonium is largely associated with low-solubility metal hydroxide/oxide sludges where its low concentration and intimate mixture with neutron-absorbing elements (e.g., iron) are credited in nuclear criticality safety. However, concerns have been expressed that plutonium, in the form of hydrated plutonium oxide, PuO2·xH2O, could undergo sufficient crystal growth through dissolution and reprecipitation in the alkaline tank waste to potentially become separable from neutron absorbing constituents by settling or sedimentation. Thermodynamic considerations and laboratory studies of systems chemically analogous to tank waste show that the plutonium, precipitated in the alkaline tank waste by neutralization from acid solution, probably entered as 2–5-nm PuO2·xH2O crystallite particles that, because of the low concentration of the neutral Pu(IV) dissolved species and opposition from radiolytic processes, grow from that point at exceedingly slow rates.
The Spectroscopy of Formaldehyde and Thioformaldehyde

Formaldehyde has played a key role in many aspects of our current understanding of the spectroscopy of poly atomic molecules. The analysis of the rotational subband structure of several vibronic transitions in the A I A2X I A1 band system of H2CO, in 1934, by Dieke & Kistiakowsky (1) is recognized as the first interpretation of the electronic spectrum of a poly atomic molecule (2). During the intervening five decades, formaldehyde has been thoroughly studied by both experimental and theoretical tech­ niques, and continues to be a prototype system for the investigation of the spectroscopy, photochemistry, and photophysics of poly atomic molecules. In sharp contrast, thioformaldehyde is a relative newcomer to the scene. This somewhat unstable species was first unambiguously identified in the laboratory little more than a decade ago (3) by observation of its microwave spectrum. Since then, rapid progress has been made in characterizing the ground and excited electronic states of HzCS. Thioformaldehyde and formaldehyde are spectroscopically similar in many aspects. For example, in both molecules the lowest energy electronic transitions may be characterized as forbidden electron promotions to n,1C* states, giving rise to ij3 A2-X I A l and A I A2-X I Al band systems. However, in formaldehyde these transitions occur in the near ultraviolet, whereas in thioformaldehyde the analogous systems are in the visible. One of the major
K-bounce

By requiring that a bounce is non-singular and that perturbations are well behaved at all times, we narrow the scope of possible models with one degree of freedom that can describe a bounce in the absence of spatial curvature. We compute the general properties of the transfer matrix of perturbations through the bounce, and show that spectral distortions of the Bardeen potential Φ are generically produced only for small wavelengths, although the spectrum of long wavelength curvature perturbations produced in a contracting phase gets propagated unaffected through such a bounce.
Distribution of Different Forms of Sulphur in Calciorthents of North Bihar

Organic sulphur was the major fraction (89%) of total while carbon bonded form was so of the organic sulphur (79%). HI-reducible sulfur and ester sulphate sulphur appear to be the vital source of sulphur from the pool of organic sulphur. Correlation between organic carbon and forms of sulphur were significant indicating sulphur as the integral part of soil organic matter. Correlation studies between silt plus clay and the forms of sulphur indicate that appreciable quantity of sulphur was adsorbed on finer fraction of soils. Total and organic sulphur content were higher in surface soils which decreased along soil depth. The step down multiple regression equations revealed that organic carbon and electrolyte conductivity explain the maximum variation in different forms of soil sulphur.
Organometallic Chemical Vapor Deposition of Palladium under Very Mild Conditions of Temperature in the Presence of a Low Reactive Gas Partial Pressure

Palladium thin-film deposition was carried out from the known precursors Pd(η3-C3H5)(Cp), and Pd(η3-C3H5)(hfa), where Cp is (η5-C5H5), cyclopentadienyl ligand and hfa is (CF3COCHCOCF3), hexafluoroacetylacetonato ligand. The use of a reactive gas such as dihydrogen led to unexpected low temperatures of deposition (30−60 °C). XPS and electron microprobe analyses revealed that low levels of carbon are incorporated to the palladium films. X-ray analyses showed crystalline deposits and scanning electron microscopy revealed grains of 300−1000 nm. Gas-phase analyses by mass spectrometry and GC/MS of deposition residues were realized to clarify the reaction mechanisms. Such a deposition process leads to metallic palladium with a good purity level.