Miracle-dz/UniFAR-FTUs huggingface dataset:
Measurements of Chemical Elements in Occupationally Exposed Hair and Their Correlation with Nephrotoxicity Markers in Urine

The possibility of early detection of subclinical changes in the organism of individuals occupationally exposed to chronic action of chemical toxins is a continual subject of study. The analysis of metals in hair is a permanent record of length of exposure and metal circulation. However, such analysis alone cannot be used for the diagnosis of disease. In the presented work we determined the concentrations of Pb, As, Ni, and V in the hair and neutrophil lipocalin (NGAL) in urine, and conducted the correlation between these chemical elements and specific nephrotoxicity indicators in urine: NGAL, N-acetyl- β-D-glucosaminidase (NAG, its isoform NAG-B), β-galactosidase (β-GAL), β-glucuronidase (β-Gr), alanylaminopeptidase (AAP), glutathione transferases (α and π GST), β2-microglobulin (β2M), retinol binding protein (RBP), sialic acids (SIA), albumins and total protein. The studies were conducted on 29 employees of the Polish Fuel Company and on 19 healthy individuals without occupational exposure to chemicals.
Stable, Low‐Temperature Discotic Nematic Superstructures by Incorporating a Laterally Substituted Sidearm in Hexakis(phenylethynyl)benzene Discogens

A new strategy for preparing room‐temperature discotic nematic materials is proposed and developed stepwise to improve various discotic nematic properties. This approach replaces one sidearm of the discotic hexakis(4‐hexyloxyphenylethynyl)benzene with a tris(alkoxy) sidearm, 1‐ethynyl‐2,3,4‐tris(hexyloxybenzene), to lower transition temperatures, manipulate discotic nematic ranges, and preserve the discotic nematic superstructure while preventing column formation. Although symmetry considerations play a role in the resulting mesogenic properties, steric hindrance and van der Waals interactions are ascribed to the superior discotic nematic properties of the newly prepared discogens containing a laterally substituted sidearm.
Absorption, tissue distribution and metabolism of chlorpyrifos in channel catfish following waterborne exposure

The pharmacokinetics, tissue distribution, and metabolism of waterborne chlorpyrifos were investigated in channel catfish (Ictalurus punctatus) fitted with arterial and urinary catheters. Pharmacokinetic analysis indicated rapid absorption of parent chlorpyrifos from water into blood and slower distribution to peripheral tissues. Total 14C residue concentrations were highest in fat and lowest in muscle. Parent chlorpyrifos comprised > 90% of the total 14C residues in the whole fish. 14C residues were excreted by renal and biliary routes as metabolites of chlorpyrifos; excretion of the parent chemical was negligible. Trichloropyridinol (TCP) was the major metabolite in blood (approximately 40% of total residues), whereas the glucuronide conjugate of TCP was the major metabolite in urine (60–90%) and bile (> 90%). The pharmacokinetics and metabolism of water-borne chlorpyrifos in the channel catfish were similar to the disposition of chlorpyrifos in other vertebrates.
DEM Simulation of the Impact of Ultrafine Glass Particles on the Partition Wall of the Multichannel Cyclone

This article focuses on the simulation of the impact of ultrafine particles on the rigid partition wall of the multichannel cyclone by applying the discrete element method (DEM). Ultrafine particles with diameters ranging from 0.1 to 10 µm are assumed to be most dangerous pollutants because of their property to easily penetrate the human circulatory system through the respiratory tract. An emphasis is placed on demonstrating the stick-rebound behavior of glass pollutant particles. The numerical experiment simulating the oblique impact load induced by mechanically generated inlet air flow has been numerically conducted. Hertz contact and short-range van der Waals attraction are the main forces describing normal contact, while their tangential counterpart is defined according to Coulomb friction law and by considering normal compression and attraction. Both normal and tangential models are modified to comprise the effect of energy dissipation due to adhesion hysteresis. Simulation results provide a theoretical framework for designing of the cyclone when a device is applied to capture ultrafine pollutant particles.
CHEMISTRY AND ORIGIN OF FRESHWATER FERROMANGANESE CONCRETIONS

Ferromanganese concretions from Grand Lake and Ship Harbour Lake in Nova Scotia and Mosque Lake in Ontario are most common in water 0.5 to 2 m deep. X-ray diffraction studies show the ferromanganese portions of the concretions to be amorphous. Petrographic and electron probe studies of the ferromanganese material reveal chemical banding of iron and manganese. Bulk chemical analyses indicate that the Fe : Mn ratios of concretions from different sites within a single lake are similar, whereas concretions from different lakes have characteristic Fe : Mn ratios. Trace element concentrations are different in different lakes and are generally several orders of magnitude less than those of oceanic nodules.
Zeolite-Modified Discriminating Gas Sensors

The use of zeolites as transformation layers to enhance the response and discriminating power of solid-state metal-oxide-semiconductor gas sensors is demonstrated. Thick film sensors were prepared by screen printing layers of tungsten trioxide or chromium titanium oxide with various zeolites as overlayers. The sensors gas response was tested against carbon monoxide and ethanol in varying concentrations. Experimental result. ,; show that it is possible to dramatically alter the response behavior of the devices: in the instance of ethanol gas with a zeolite Y-modified sensor. the response was increased by 2 orders of magnitude compared to the unmodified sensor. Computational modelling studies show that a combination of catalytic reaction and diffusion behavior are responsible for these changes. Such discriminatory behavior should prove useful in electronic noses and sensor arrays. (c) 2009 The Electrochemical Society. [DOI: 10.1149/1.3065436] All rights reserved.
Global Climate Change: The Empirical Study of Sensitivity Model in China's Sustainable Development

Abstract This study employs logical, scientific understanding and prediction of a Sensitivity Model which is an integer tool in the assessment of climate change for China. It simulated a smooth environmental sustainable transition for the next ten years, given the 11 simulated variables. The positive coefficient for GDP growth variable suggests that estimated emissions initially rise with GDP growth, and eventually fall; the impact of population on emissions has been more pronounced in lower rather than in higher income ranges, contradicting Environmental Kuznet Curve. The role of energy efficiency on emissions has been the greatest when CO2 emission is at its peak.
Spin polarization-induced nuclear overhauser effect: An application of spin-polarized xenon and helium

Spin polarization–induced nuclear Overhauser effect (SPINOE) is a recent experimental finding that accomplishes the transfer of spin polarization of laser-polarized xenon and helium to other nuclei. With this method, cross-relaxation rates between xenon and molecules can be measured to investigate molecular interactions and to probe the chemical and structural environment of the binding sites selectively. In this article, we review the theory of spin relaxation in coupled spin systems in liquids, the basis for understanding the nuclear Overhauser effect (NOE) and SPINOE. We establish the framework for describing inter- and intramolecular NOE in solution including the effects of molecular binding. Experimental methods and results of SPINOE are reviewed. ©2000 John Wiley & Sons, Inc. Concepts Magn Reson 12: 6–20, 2000
Investigation of environmental friendly Te-free SiSb material for applications of phase-change memory

Te-free environmental friendly SixSb100−x phase-change materials are investigated. The binary material, which is compatible with the complementary metal-oxide-semiconductor manufacturing process, is outstanding in various properties. SixSb100−x shows a much better data retention as compared with Ge2Sb2Te5. The density change for Si10Sb90 and Si16Sb84 is only about 3% and 3.8%, respectively. The failure times for Si10Sb90 and Si16Sb84 are about 103 and 106 times longer than that of Ge2Sb2Te5 at 110 °C. The crystallization temperature of SixSb100−x increases with silicon content within the material. SixSb100−x materials are good candidates for the phase-change memory applications.
Structural Analysis of Block Copolymer Thin Films with Grazing Incidence Small-Angle X-ray Scattering

The grazing incidence small-angle X-ray scattering (GISAXS) from structures within a thin film on a substrate is generally a superposition of the two scatterings generated by the two X-ray beams (reflected and transmitted beams) converging on the film with a difference of twice the incidence angle (αi) of the X-ray beam in their angular directions; these two scatterings may overlap or may be distinct, depending on αi. The two scatterings are further distorted by the effects of refraction. These reflection and refraction effects mean that GISAXS is complicated to analyze. To quantitatively analyze GISAXS patterns, in this study we derived a GISAXS formula under the distorted wave Born approximation. We applied this formula to the quantitative analysis of the GISAXS patterns obtained for various compositions of polystyrene-b-polyisoprene (PS-b-PI) diblock copolymer thin films on silicon substrates with native oxide layers. This analysis showed that the diblock copolymer thin films consist of hexagonally pac.
Nitrogen transformations in soils beneath red alder and conifers

Transformations of nitrogen in organic matter in the soil are essential to plant nutrition because nitrogen in the form of proteins and other organic compounds is not directly available. These compounds must undergo microbial decomposition to liberate nitrogen as ammonium (NH -I- 4 ) and nitrate (NO 3 ), which can then be absorbed by plant roots. Nitrogen transformations, particularly nitrification, are rapid in soils under coastal Oregon stands of red alder (Alnus rubra Bong.); conifers — Douglas-fir (Pseudotsuga menziesii (Mirb.) Franco), western hemlock (Tsuga heterophylla Raf) Sarg. ), and Sitka spruce (Picea sitchensis (Bong.) Carr. ); and mixed stands of alder and conifers. Nitrification is especially rapid in the F layer beneath alder stands despite a very low pH. These findings are from a study of contributions to the nitrogen economy by red alder conducted at Cascade Head Experimental Forest near Otis, Oregon (Chen, 1965). 1
Effect of Flow Conditions on Nanoparticle Aerosol Deposition for Direct Writing Purposes

Nanoparticles have unique properties that are sought after for the development and improvement of applications. Prerequisite to achieve these applications, methods are required to put the nanoparticles in different patterns and arrangement on a target substrate. In the course of developing an aerosol-based nanoparticle printing system, this work explores the results of different aerosol deposition configurations. The work is based on a spark ablation process that generates an aerosol of argon and copper nanoparticle agglomerates. The deposition configuration deposits the aerosol on a target substrate. Three configurations are explored, one which deposits at subsonic velocities, and two which deposit at sonic velocities. The aim is to find the most favourable deposition conditions for the direct writing of nanoparticle patterns. It is found that a sonic deposition configuration with a low pressure ratio at small substrate distances has the smallest deposit diameter. The configuration allows for the patterning of narrow lines, that consist of two deposition regions: a micro-aggregate region and a nanoparticle region. It was found that the density of these regions is mainly influenced by the process variables of the spark ablation process, and can thus be used to gain a high consistency and well-defined edges.
Thermodynamical and structural properties of f.c.c. transition metals using a simple tight-binding model

Abstract A semi-empirical model to simulate thermodynamic properties of f.c. c. transition metals is proposed. The attractive energy is derived within a second-moment approximation of the tight-binding scheme. The repulsive pairwise interaction is assumed to be of a Born-Mayer type and the parameters of the potential have been adjusted on the bulk modulus, the elastic constants and the cohesive energy. Bulk vibrational properties and defect energies for vacancies, interstitials and surfaces are estimated. Moreover, molecular dynamics simulations with this potential model to evaluate the high-temperature behaviour are presented. In particular, we have calculated the root-mean-square displacement and the thermal expansion as a function of temperature for Cu and Ni. These results allow us to test the anharmonicity of the potential. The agreement with experiment is quite good for low and intermediate temperatures. At high temperatures (T0·65Tm where T m is the melting temperature) the mean-square displacement .
A hydrogen bonded cocrystal with an unusual interweaving between the adjacent triple-helices

The structure of a cocrystal between trimethoprim and 2-aminoterephthalic acid has revealed the formation of 3D-interpenetrated networks. Each network is composed of tubular columns, sharing walls. Within each column the molecules interact with each other to form either left or right handed triple-helical arrangements with channels of 8.8 × 7.4 A2 dimensions running along the axis of the triple helix. Adjacent strands of each triple helix are separated by a distance of 6.7 A with the accompanying void space filled by interweaving of triple helices from an adjacent network. The helices of adjacent triple-helical network are connected by N–H⋯O hydrogen bonds and helices of different networks interact with each other by C–H⋯N hydrogen bonds.
Enhancement of electron injection in flexible OLEDs using magnesium-doped tris(8-hydroxyquinoline) aluminum layer

We report the enhancement of electron injection using a magnesium (Mg)-doped tris-(8-hydroxyquinoline) aluminum (Alq 3 ) layer between the Al and Alq 3 layer in flexible organic light emitting diodes (OLEDs). The turn-on voltage decreased from 13 to 11 V and the luminance increased from 800 to 3200 cd/m 2 at 15 V as Mg is doped by 5% to Alq 3 layer. In situ measurements of synchrotron radiation photoelectron spectroscopy revealed that the Fermi level moved about 0.45 eV toward the lowest unoccupied molecular orbital by doping Mg to Alq 3 , reducing the energy barrier for electrons via promotion of the electrical and optical properties.
Estudio de valoración contingente de la red de bibliotecas públicas de Chile

This study uses the contingent valuation method to estimate part of the social welfare generated by Chile’s national public library system and the relationship between this social benefit and some socioeconomic characteristics of library users. With the exception of Baez and Herrero (2012), this method has never been used in relation to cultural policy in Chile, and indeed it has only rarely been applied to public libraries elsewhere in the world. Among other findings, the study concludes that both users and nonusers are willing to make a monetary contribution to maintaining the library network, while many of those who are unwilling to do so would be willing to volunteer to help run their local libraries.
Efficacy of new commercial formulations to control downy mildew and dissipation of their active fungicides in wine after good agricultural practices

BACKGROUND: The efficacy of common fungicides to control downy mildew (Plasmopara viticola) in vines decreases when the same commercial formulations are applied over several years. For this reason, new commercial formulations (containing new fungicides) have to offer to grape-growers to increase the efficacy of antifungal treatments. The efficacy of five new commercial formulations (Cabrio Top, Equation Pro, Fantic M, Mikal Premium and Fobeci) to control downy mildew in an experimental vineyard producing white grapes (Vitis vinifera cv. Godello) was studied. All these products have in common a new fungicide (pyraclostrobin, famoxadone, benalaxyl-M, iprovalicarb and benalaxyl, respectively) in their chemical formulation. RESULTS: Two commercial formulations, Cabrio Top and Fobeci, gave the highest efficacy to control this fungal disease. Once treated white grapes were harvested, the fate of these fungicides from vine to wine was studied. The white winemaking process allowed the dissipation of fungicide residues in high percentages (∼95%), except for iprovalicarb (45%). Concentrations in final filtered white wines were close to or lower than 0.01 mg L−1 for all detected fungicides except iprovalicarb and fludioxonil. The following dissipation rate was found: famoxadone > cyprodinil > pyraclostrobin > benalaxyl > folpet > fludioxonil > benalaxyl-M > penconazole > iprovalicarb. CONCLUSION: From the data obtained in the vinification process, estimated maximum residue levels for white wines were proposed for future EU legislation to control the presence of pesticides in white wines. Thereby one helps to assure also the wine quality and protection of consumer health. Copyright © 2009 Society of Chemical Industry
EFRESOL: effective resolution of a diffraction data set

The resolution of a diffraction data set conveys the details that one expects to distinguish in the Fourier maps calculated with these data. For example, individual atoms in a macromolecular chain cannot be resolved in the maps calculated with 2 A resolution data sets, while they can be resolved in accurate maps calculated with 1 A resolution data. However, if a data set is incomplete its high-resolution cutoff becomes less straightforward to interpret. For instance, a Fourier map calculated using a 1 A resolution data set with many high-resolution reflections missing may rather resemble a map corresponding to 2 A resolution data. The authors have proposed a method that redefines the traditional notion of data resolution, making it more formal and general. This manuscript presents the corresponding tool, the program EFRESOL. For a data set of an arbitrary completeness, the program calculates its mean, highest and lowest effective resolutions. These values are established through the minimum distance between two point scatterers when their images are still resolved as separate peaks in the Fourier maps calculated with the given data set. Additionally, the program calculates the optical resolution, which is defined as the minimum distance for typical atoms of the structure when they are resolved in a hypothetical synthesis obtained with the given amplitudes and the exact phases if they are known. Both effective and optical resolutions show the `resolving power' of the diffraction data set.
Chronic exposure to exogenous nitric oxide may suppress its endogenous release and efficacy

The aim of the study was to investigate the effects of semichronic treatment with molsidomine, an exogenous nitric oxide (NO) donor, on the biosynthesis of and the responses to this gas in large arteries. For this purpose, groups of 10 rabbits were fed either a control diet or a diet containing 200 ppm of molsidomine. Sixteen weeks later, rings of the isolated aorta of the latter rabbits appeared to be less sensitive to the dilating effects of acetylcholine, SIN-1, and NO.
Nitrification activities and N mineralization in paddy soils are insensitive to oxygen concentration

ABSTRACT Oxygen concentration is considered to be the most important factor influencing nitrification and mineralization rates in agricultural soils. However, the sensitivities of nitrification and N mineralization in paddy soils to oxygen concentrations are not well known. We examined nitrification activities and N mineralization rates of six paddy soils with pH ranging from 5.23 to 7.83 and incubated at 25°C and 60% water-holding capacity in laboratory after ammonium was added at concentrations of 10, 30 and 50 mg N kg−1 of soil and the headspace gases were replaced with stock gases whose oxygen concentrations were 20%, 10% and 2%, respectively. The tested paddy soils had a very wide range of nitrification activities so that the nitrate ratio in inorganic N varied from > 95% after 1 day incubation to < 25% after 7 days of incubation. The nitrate ratio correlated with the soil pH. Nitrate content and its ratio, and mineralization rate were not suppressed when the oxygen concentration in the headspace decreased from 20% to 2%. Our results suggested that nitrifiers and microbial communities involved in N mineralization might have adapted to the environment with low oxygen concentration in paddy soils in which oxygen concentration is deficient during the flooding period. However, oxygen concentration would be even lower than 2% in paddy soils under the flooding conditions. Thus, the minimum oxygen concentration at which nitrification activities in paddy soils are suppressed needs to be explored further.
Molecular tectonics: control of packing of hybrid 1-D and 2-D H-bonded molecular networks formed between bisamidinium dication and cyanometallate anions

Upon combining the dicationic bis-amidinium tecton 2 bearing four propyl chains with tetra- and hexa-cyanometallate anions neutral 1- and 2-D hybrid networks were obtained. In the case of [M(CN)4]2− (M = Ni(II), Pd(II) and Pt(II)), the control of the spacing between consecutive 1-D H-bonded networks by the presence of the propyl chains was demonstrated. For [M(CN)6]3− (M = Fe(III), Co(III), Cr(III)), 2-D networks presenting hexagonal channels have been obtained. In marked contrast with the case based on the use of 1 for which channels are filled with water molecules, in the case of 2, as expected, the solvent molecules were replaced by propyl chains.
New aspects of nanopotentiometry for complementary metal–oxide–semiconductor transistors

Nanopotentiometry is a scanning probe microscopy (SPM) technique providing insight in the actual working behavior of semiconductor devices under operation. In nanopotentiometry, a conductive SPM tip is used as a voltage probe in order to measure the distribution of the electrical potential on the cross section of an operating device. The information thus provided is complementary to carrier profiling and is a method for the calibration of device simulations. The suitability of alternative SPM techniques for studying ultrashallow devices under operation is examined. Measurements have been carried out in deep submicron complementary metal–oxide–semiconductor devices. The impact of the changes in the doping profile on the potential distributions has been explored using simulations and experimental results. Due to further improvements in sample preparation and measurement methodology, the response of the devices to variable bias conditions could be studied in more detail. The formation of the conductive chann.