Miracle-dz/UniFAR-FTUs huggingface dataset:
Cu Electroplating on H-Terminated n-Si(111): Properties and Structure of n-Si/Cu Junctions

Alkaline CuCN solutions were used to deposit electrochemically homogeneous and adherent Cu films onto H-terminated silicon surfaces. Careful control of the deposition potential leads either to perfect n-Si(111)/Cu Schottky diodes (barrier height Φ B tunable between 550 and 700 mV; best ideality factor n = 1.15) or ohmic contacts (3-10 Ω). Aging of electrical properties was also investigated, and the film porosity is discussed. Transmission electron, ex situ atomic force and in situ scanning tunneling microscopy observations of the interface structure and of the film nucleation are presented. The excellent adherence of alkaline copper on silicon was exploited to plate ferromagnetic metals (nickel, cobalt, and iron) from modified Watts baths (pH 3), using a two-step procedure.
ELECTRONIC STRUCTURES AND THE STABILITY OF MgO SURFACE: DENSITY FUNCTIONAL STUDY

The electronic structures and the stability of the low-index surface (001), (011) and (111) for MgO were investigated by first-principles method based on density functional theory (DFT). We analyzed the stability of the MgO slab in equilibrium with an arbitrary oxygen environment. The density of states (DOS) and the band structures of MgO slabs were calculated and compared with those of the bulk MgO. Our calculation results reveal that the stabilities of the surface vary with the change of O chemical potential. In addition, the (001) and (011) surfaces are semiconductors, which are similar to that of the bulk MgO. However, the MgO(111) surface exhibits metallic property due to the effect of the surface states, which is different from that of the bulk MgO.
Dual‐porosity modelling of the pore structure and transport properties of a contaminated soil

We have developed a new method to characterize the pore structure of mineral soils. We combined data from the analysis of back‐scattered scanning electron microscope (BSEM) images of resin‐impregnated pore‐casts, and mercury intrusion porosimetry (MIP) data, with analytical percolation models and inverse modeling algorithms. The pore space is regarded as a dual‐pore network consisting of a primary Euclidean pore‐and‐throat network and a secondary, fractal, pore system that is accessed through primary pores. The digitized 2‐D BSEM images of resin‐impregnated soil samples are employed to determine the autocorrelation function. The Fourier transform of this function provides the small‐angle neutron scattering (SANS) intensity function, which is extended by using the surface fractal dimension obtained from high‐pressure MIP data. Inversion of the extended scattering intensity function produces the volume‐based radius distribution function of spherical pore bodies (PBRD). The complete volume‐based PBRD is fitted with a composite number‐based PBRD composed of a lognormal primary PBRD and a power (fractal) secondary PBRD with upper and lower cut‐offs. Based on the concepts of invasion percolation, an analytic mathematical model that describes Hg intrusion into dual pore networks is developed. The complete PBRD and pore‐throat radius distribution (PTRD) functions of the primary network along with the drainage accessibility functions (DAFs) of the primary and secondary pore networks are estimated with inverse modelling of the Hg intrusion curve. Based on critical path analysis of percolation theory, approximate analytical relationships are developed to calculate explicitly the absolute permeability and electrical formation factor from the geometrical and topological parameters of the primary pore network. The method is demonstrated with application to four soil samples.
Hyperbranched polyesters and their application in dental composites: monomers for low shrinking composites

Using trimethylolpropane (TMP) and 2,2-bishydroxymethylpropionic acid (Bis-MPA), aliphatic hyperbranched polyesters (HBP) were synthesized, with a degree of branching of DB = 0.47 and a degree of polymerization of Pn = 16.5. Aromatic HBPs with repetitive units of 2,2-bis(4-hydroxyphenyl)pivalonic acid (Bis-PVA) lead to a higher DB = 0.48 and Pn = 30.5 compared to the aliphatic HBP. Reactive functionalization of the hyperbranched polymers was achieved via esterification of mixtures of methacrylic acid and carboxylic acids. In this manner, i-butyric acid and methacryloyl terminated HBPs were obtained. They have a low viscosity ranging from 200 to 364 Pa*s and exhibit relatively low volume shrinkage (1.9 to 3.6%) during photoinitiated cure. Dental composites with volume shrinkage of 0.5 to 1.5% have been prepared using these methacryloyl terminated HBPs in combination with a Ba/alumosilicate glass filler. Copyright © 2001 John Wiley & Sons, Ltd.
Electrochemical Conjugate Additions of the Allyl Groups in Substituted Allyl Halides to α,β-Unsaturated Esters

Electrolysis of allyl halides and diethyl fumarate (2) in N,N′-dimethylformamide containing 0.2 M† tetraethylammonium tosylate gave a conjugate addition product, ethyl 3-(ethoxycarbonyl)-5-hexenoate, in a moderate yield. The electrochemical reaction of 1-chloro-3-methyl-2-butene (4) with 2, that of allyl chloride 4 with methyl crotonate (6), and that of methyl 4-halo-2-butenoate with 2 likewise gave the corresponding conjugate addition products, ethyl 3-(ethoxycarbonyl)-6-methyl-5-heptenoate, methyl 3,4,4-trimethyl-5-hexenoate, and ethyl 3-(ethoxycarbonyl)-4-(methoxycarbonyl)-5-hexenoate, respectively. The addition reaction of 4 to 2 takes place at the α-carbon terminus of 4 exclusively, whereas the addition of 4 to 6 at the γ-carbon terminus of 4. These regioselectivities of the additions and pathways of the reactions are discussed.
NMR Analysis of Polyphosphoric Acid-modified Bitumens

ABSTRACT Phosphorous-31 NMR spectroscopy has been used to study the behavior of polyphosphoric acid (PPA) in bitumen. Phosphorous NMR spectra were acquired on a PPA-modified bitumen immediately after blending, and on samples that were stored at 135°C for different periods of time. The initial NMR spectra showed resonances characteristic of phosphorous atoms in orthophosphoric acid, and in middle and end groups of phosphate chains. However, over time the number of phosphorous atoms in the middle and end groups decreased, indicating a preference of polyphosphoric acid to revert back to the orthophosphoric acid in the presence of bitumen. The NMR data did not suggest the formation of organic phosphate esters as a result of PPA modification. Phosphorous NMR spectra were also acquired on bitumen samples modified with Elvaloy® in which polyphosphoric acid was used as a catalyst. The data showed that over time only one type of phosphorous atom remained in the bitumen. The NMR data suggest that the PPA did not react with Elvaloy® to form esters.
Capabilities of an Argon Fluoride 193 nm Excimer Laser for LaserAblation Inductively Coupled Plasma Mass Spectometry Microanalysis ofGeological Materials

Recent developments in laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) have demonstrated its potential for in situ microanalysis for major, minor and trace elements in solids, such as minerals. With the low backgrounds and high sensitivity of new ICP-MS instruments, limits of detection of 1–10 ng g -1 in a 40 µm ablation pit for many elements can be reached. Fractionation effects due to different ablation rates of various elements have prevented quantification without matrix-matched standards with 1064 nm Nd:YAG lasers. These effects have been reduced but not eliminated using shorter UV wavelengths ( e.g . a quadrupled Nd:YAG 266 nm). Excimer lasers with wavelengths below 200 nm are expected to reduce fractionation effects further, but they present a serious challenge to the design of optical systems, especially if high-resolution UV ablation needs to be combined with high quality visual observation, which is essential for the study of complex materials, such as geological samples. An LA system was developed using an homogenized UV laser beam (193 nm, Argon Fluoride excimer) with a common UV–visual objective on a modified petrographic microscope with reflected and transmitted light illumination, in combination with a Perkin-Elmer Elan 6000 ICP-MS instrument. The optical system allows imaging of both visible and UV laser light onto the sample surface at the same time. Laser operating parameters and their influence on the ablation process were investigated using NIST SRM 612/610. Fractionation effects due to differential ablation of various elements as a function of time can be reduced to interelement correlation coefficients of r =0.9 or better and have become insignificant within the precision of quadrupole ICP-MS using this new optical design. Energy densities and repetition rates need to be kept within limited ranges for accurate and reproducible determinations of trace elements such as Zn, U and Pb, which have previously presented strong fractionation problems. LA-ICP-MS determinations on natural hornblende, augite, and garnet, calibrated against NIST SRM 612 using any major element as an internal standard, agree well with independent literature data. These experiments with the Argon Fluoride 193 nm excimer system demonstrate a greatly reduced matrix dependence of the ablation process, which facilitates in situ analysis of unknown samples.
Measurement of Neutron Capture Cross Section of Thorium-232 from 1 keV to 408 keV

Measurement of the neutron capture reaction rate of 232Th has been made (1) in the energy range from 1 to 408 keV, and (2) with 55 and 146 keV neutrons by thick silicon filtered neutron beams, using a linac time-of-flight technique. The capture reaction rate of 232Th has been measured relative to that for the 10B(n, αγ) reaction, whose cross section values have been taken from ENDF/B-V File. The results have been normalized to the 24 keV value previously measured by the present authors. Capture γ-rays were detected by a pair of C6D6 scintillators located at 12m on the neutron flight path. Thorium samples were chemically purified in order to reduce the γ-ray background from the daughter nuclides in the thorium decay chain. The point data measured with the 55 and 146 keV neutrons have been in good agreement with the energy dependent cross section for the 232Th(n, γ) reaction. It has been found that the results support recent measurements and the ENDF/B-V values of the capture cross section, while the discre.
Temperature and Density Dependence of the Viscosity of Toluene

New measurements have been made for the viscosity of toluene between 255 K and 323 K at pressures up to approximately 400 MPa with a falling-body viscometer. These extend earlier high-pressure measurements below 298 K. The measurements form part of an intercomparison of high-pressure viscometers by the IUPAC Physical Chemistry Division, Commision 1.2, Subcommittee on Transport Properties. A revised correlation function is used to represent the results with a repeatability of ±0.5%. The uncertainty is estimated at ±1%.
Menopause: Problems and coping strategies of working and non-working women

To know the prevalence and coping strategies for menopausal problems among working and nonworking women. The study included equal number of participant from rural and urban women i.e. 120 participants from two districts so the total participants were 480 women. The in-depth interview was conducted to elicit the information regarding general information, menopausal symptoms and coping strategies for menopausal problems. The results of the study indicated that most common menopausal problems were joint and muscular discomfort (68.33%), sleep problems (51.66%), hot flushes (37.50%), sweating (6.67%) and heart discomfort (9.31%). With regard to level of menopausal problems, half per cent (50%) of the women experienced moderate level of somatic problems followed by severe (28.33%) and mild (20.83%), (44.17%) of the respondents had moderate level of psychological problems while, 40 per cent had severe psychological problems followed by 15.83 per cent had moderate level of psychological problems. With regard to urogenital problems 45.83 per cent had mild problems followed by moderate (31.67%) and severe (22.50%) level of urogenital problems. There was significant association and relationship between locality and occupational status. Around 55 to 90 per cent of the women were not following coping methods for menopausal problems. For sexual desire, urogenital problems and vaginal dryness around 95 per cent of the respondents not followed or inculcated coping methods to overcome these problems. The study concluded that there is need for different coping methods for both working women to remit the menopausal problems.
N‐Tetradentate SPANamine Derivatives and Their MnII‐Complexes as Catalysts for Epoxidation of Alkenes

This research has been financed by the Spanish Ministerio de Economia y Competitividad (MINECO) through projects CTQ2010-21532-C02-01, CTQ2011-23156/BQU, CTQ2008-00683, and Consolider Ingenio 2010 (CSD2006_0003). J. R. thanks the Universitat of Girona for a BR predoctoral grant. A. P. thanks MINECO for a Ramon y Cajal contract (reference number RYC-2009-05226) and the European Commission for a Career Integration Grant (CIG09-GA-2011-293900). Z. F. thanks MINECO for a Ramon y Cajal contract. M. S. thanks the Catalan DIUE of the Generalitat de Catalunya (grant number 2009SGR637) and ICREA-Academia for an award
Photoinduced electron transfer by coordination chemical pathways across pyrite/electrolyte interfaces

Experiments are presented which show that, in the case of pyrite (FeS{sub 2}), interfacial transition-metal bridge complexes formed by attaching -O-, -CN-, or -CO- groups facilitate electronic charge transfer more efficiently by inner-sphere mechanisms (strong interaction) than may occur by tunneling (weak interaction). This is advantageous concerning electrode stability and catalytic activity. The described experiments also show that appropriate chemical surface modifications can channel photogenerated charge carriers through the interface of d-character materials at a high photocurrent density ({approximately}30 mA cm{sup {minus}2}) and with good stability. Individual -CN- groups attached to the FeS{sub 2} interface pass photogenerated charge carriers at least 10{sup 6} times before a side reaction occurs. New models have to be developed to describe the semiconductor/electrolyte interface in cases with strong chemical interaction. A first qualitative picture is presented. 34 refs., 9 figs., 1 tab.
Effect of Deinking Paper Sludge Compost On Nutrient Uptake and Yields of Snap Bean And Potatoes Grown in Rotation

The paper industry in Canada faces a challenge of economically sound and environmentally safe disposal of massive amounts of residues. A field study was conducted in 1996 and 1997 to evaluate the effects of application of a compost derived from a mixture of deinking paper residues and poultry manure (DSPC) on P and K uptake, and yields of snap bean (Phaseolus vulgaris L. cv. Centralia), and potato (Solanum tuberosum L. cv. Gold Rush). The experiment was conducted on a Tilly silt loam (Gleyed Humo-Ferric Podzol) located in Sainte-Croix de Lotbinière, Québec, Canada. The DSPC was applied in the spring 1996 at 0, 14, 28 and 42 Mg ha−1 on a dry matter basis, and supplemented or not with mineral fertilizer (MF) at 0, 60, 120 and 180 kg P2O5-K2O ha−1. In 1997, P fertilizer was applied in subplots at 0, 100, 200 and 300 kg P2O5 ha−1. Snap bean yield increased significantly with DSPC and MF application. Apparent P and K recoveries from MF by snap bean decreased with DSPC or MF rate. In combination with DSPC, P and K recoveries from MF by snap bean were smaller at all rates than those with no DSPC. Based on nutrient uptake, P and K in DSPC were more available than in MF. Potato yield in the following year was not significantly influenced by the previous treatments nor by supplemental P fertilizer added in the second year. This experiment indicates that compost derived from a mixture of deinking papermill sludges and poultry manure is a potential source of P and K for crops and will increase crop yields in the application year.
Cell attachment on silicon nanostructures

Advances in neural probe technology are currently hindered by a lack of understanding of the cues and mechanisms responsible for rejection and isolation of probes implanted in the central nervous system. To gain additional insight into this topic, the attachment of astrocytes on nanoscale textured silicon surfaces was investigated. Silicon surfaces were textured using a reactive ion etch process designed to produce nanometer-scale columnar structures in silicon (“silicon grass”). Standard photolithographic techniques were used to pattern the surface thereby allowing selective modification of the surface texture by a wet chemical etch for silicon. The resulting surface allowed a side-by-side presentation of different surface textures to cells grown in culture. The silicon surfaces were characterized by scanning electron microscopy (SEM) and scanning Auger electron microscopy. The cell attachment and morphology were observed with laser scanning confocal microscopy and SEM. Transformed astrocytes from a cont.
A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

In the search for a quantitative correlation between reactivity and electronic configuration of aromatic hydrocarbons, the electron density, at each carbon atom, of the highest occupied π‐orbital in the ground state of the molecule is calculated by means of the LCAO method. Comparing the result of such a calculation on fifteen condensed aromatic hydrocarbons with their chemical reactivities, we find that the position at which the electron density is largest is most readily attacked by electrophilic or oxidizing reagents.It is, therefore, concluded that distinct from other π‐electrons the pair of π‐electrons occupying the highest orbital, which is referred to as frontier electrons, plays a decisive role in chemical activation of these hydrocarbon molecules. The theoretical significance of this discrimination of the frontier electrons in relation to the chemical activation is discussed.
Solving Crystal Structures from Powder Data. IV. The Use of the Patterson Information for Estimating the |F|'s

The positivity of the Patterson function is used as prior information for the decomposition of a powder diffraction pattern. An automatic procedure is described which, integrated with the Le Bail method, is able to provide estimates of |F| values that are often remarkably better than those obtained by application of standard techniques. The procedure, implemented in a computer program, has been applied to a set of test structures (experimental data); the results show that, particularly for structures with some heavy atoms, the new estimates of the structure-factor moduli are far better (on average) than those obtained via the default application of EXTRA [Altomare et al. (1995). J. Appl. Cryst. 28, 842–846]. 1. Symbols and abbreviations The papers by Altomare, Carrozzini et al. (1996), Altomare, Foadi et al. (1996) and Carrozzini et al. (1997) are referred to as papers I, II and III, respectively.
Assessment of Occupational Hazards on Nurses Performance Who Working in the Operative Room at Kirkuk's Hospitals

Design of the study: Quantitative design (convenience study) was conducted for nurses from 3rd of October, 2018, up to the 1st of May, 2019 to evaluation of factors that impact female nurses job performance at Kirkuks hospitals . Setting of the study: The present study was conducted at Kirkuk General Hospital and Azadi teaching hospital and Pediatric hospital . Sample of the Study: A non-probability (purposive) sample of (60) nurses who working in above mentioned hospitals . Tools of Data Collection: all through a wide-spread related literature’s review, a questionnaire was articulated to conduct a research using a technique of interview. Generally, twenty two items were incorporated in this questionnaire. Thus, the questionnaire comprised of five portions; socio-demographic data, health hazards, physical hazards, chemical hazards and biological hazards . Methods of data collection: The data were collected through the utilization of constructed questionnaire, interview technique with the nurses toward the factors that impact their performance in the hospitals. The data collection process was performed from the period of 1st November, 2018 up to the 15th of January, 2019. Consent informed was granted from nurse for participation in the present study was obtained and the interview was carried out individually . Al-Kitab Journal for Pure Science, 2019, 3(2): 10-28 ISSN: 2617-1260 (Print), 2617-8141(Online) www.kjps. isnra.org Web Site: www.kjps. isnra.org E-mail: kjps@uoalkitab.edu. iq 00 Statistical analysis: The analysis of data was carried out with the assistance of descriptive statistical data analysis methodology that consists of mean of score, percentages, grand score mean and frequencies . Results: The result of the study showed that most of the sample were(20-30) years old. , college graduate, (1-5) years of employment, married, working in the Operation room, working only in morning shift, working (21-25) days monthly, have (6) hours' working daily, have barely sufficient monthly income.
General pharmacology of SDZ WAG 994, a potent selective and orally active adenosine A1 receptor agonist

The pharmacological properties of 6‐cyclohexyl‐2′‐0‐methyladenosine (SDZ WAG 994)—a potent, selective, and orally active adenosine A1 receptor agonist—are described. SDZ WAG 994 is a potent (KD 23 ± 2 nM, n = 5) and selective (1,090‐fold vs. A2A receptors) displacer of binding to pig striatal A1 receptors and behaves as a full agonist at the A1 receptors coupled negatively to adenylate cyclase in rat adipocytes (pEC50 6.4 ± 0.2, n = 3), those which induce contraction of rat spleen (pEC50 7.1 ± 0.1, n = 13) and those which suppress the response to autonomic nerve stimulation in guinea‐pig ileum (pIC50 6.6 ± 0.1, n = 4) and rat kidney (pIC50 6.0 ± 0.1, n = 6). The compound has negligible affinity (pEC50 < 4, n = 5) for the A2B receptor which mediates relaxation of guinea‐pig aorta. In spontaneously hypertensive (SH) rats SDZ WAG 994, 0.05–0.5 mg/kg (0.14–1.4 μmol/kg) po, caused dose‐related and sustained (> 5 h) falls in blood pressure (BP) and heart rate (HR) and suppressed plasma renin activity (PRA); the cardiovascular effects could be immediately and fully reversed by an intravenous injection of 8‐(p‐sulphophenyl)theophylline, 20 mg/kg (56.4 μmol/kg). SDZ WAG 994 given via the food at 0.4 and 1.2 mg/kg/day (1.1 and 3.3 μmol/kg/day) for 7 or 14 days, respectively, induced dose‐related hypotension and bradycardia which were well maintained throughout the treatment periods. In the conscious, normotensive dog, SDZ WAG 994, 1 and 3 mg/kg (2.8 and 8.3 μmol/kg) po, induced substantial, sustained falls in BP which were accompanied by tachycardia. In salt depleted squirrel monkeys, SDZ WAG 994, 0.1–0.3 mg/kg (0.28–0.83 m̈mol/kg) iv or 0.2–0.6 mg/kg (0.56–1.7 μmol/kg) po caused dose‐related and sustained (> 5 h) bradycardia and suppression of PRA but no change in BP. In rhesus monkeys, SDZ WAG 994, 0.1–1.2 mg/kg (0.28–3.3 μmol/kg) po induced sustained bradycardia and suppression of PRA and the plasma free fatty acid and triglyceride concentrations. The data establish SDZ WAG 994 as a potent, selective, and orally active adenosine A1 receptor agonist with therapeutic potential in certain cardiovascular and/or metabolic disease states. © 1995 Wiley‐Liss, Inc.