Miracle-dz/UniFAR-FTUs huggingface dataset:
Evaluation of controlled-pore glass immobilized iminodiacetate as a reagent for automated on-line matrix separation for inductively coupled plasma mass spectrometry

A new iminodiacetate chelating reagent, immobilized onto a controlled-pore glass support, was evaluated as a substrate for on-line matrix separation for ICP-MS. An automated FI manifold was constructed, incorporating a glass mini-column of the iminodiacetate reagent. One compromise set of optimum conditions was obtained for a range of analytes, using the variables of matrix separation flow rate, buffer pH and concentration and eluent acid concentration. With a sample volume of 3 ml and an elution volume of 0.3 ml, a preconcentration factor of 10 was obtained in addition to matrix separation. The range of elements found to be retained by the column included transition metal cations, uranium and lead. These could be quantitatively eluted using nitric acid (0.5 mol dm–3). Calibrations prepared from both pure water and artificial sea-water matrices were found to be comparable in terms of sensitivity, illustrating that the presence of a saline matrix did not affect the separation process. Both calibration sets showed good linearity with least squares regression coefficients between 0.996 and 0.999 for the analytes measured. The method gave acceptable reproducibility with precisions (sr) at the 5 ng ml–1 level of <5%, for 5 replicates. Recoveries between 62 and 113% were obtained for all the elements analysed except Mn, which gave a very low recovery (<35%), under the compromise conditions used. The chelating material was found to have a capacity of approximately 0.1 mmol g–1 for a range of elements. The procedure was validated by accurate analysis of the National Research Council of Canada, CRMs SLEW-1 (Estuarine Water) and CASS-2 (Coastal Sea-Water).
Measurements of size distribution nanoparticles in ultraviolet‐curable methacrylate‐based boehmite nanocomposites

A deep study on the possibility to increase the quality of the dispersion of organically modified Boehmite nanoparticles into photo-polymerizable methacrylic-siloxane monomers, to be used as coatings, was conducted using unconventional indirect analy- ses. The nanocomposite were produced using two different procedures, starting from the conventional ''solvent dispersion method. '' The two procedures used differ for the technique used to obtain the dispersion of Boehmite, i.e., sonication or magnetic stirring and for the time used in each procedure. The efficiency of each method of preparation of nanostructured systems was analyzed, both in the liquid (uncured) and ultraviolet (UV) cured state. First, dynamic light scattering and rheological measurements were performed on the liquid suspensions, supplying experimental data used in proper theoretical models to estimate the dimensions and distribution of Boehmite particles. The suspensions obtained with the two different methods were, then, UV cured obtaining thin and thick films, on which scanning electron microscopy and transmittance measurements were performed. V C 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 128: 4102-4109, 2013
Quaterpyridine Ligands Forming Helical Complexes of Mono‐ and Dinuclear (Helicate) Forms

The dimethylquaterpyridine ligand L1 reacts with CuI and AgI to give dinuclear complexes of “helicate” form, in which the metals are in an approximate tetrahedral coordination, whereas reactions with CoII and ZnII provide mononuclear complexes, in which the metals are apparently six-coordinate with markedly distorted octahedral coordination, and the ligand retains a helical conformation. Oxidation of the methyl substituents of L1 into carboxylic acid groups, followed by esterification, gives ligand L2, which also forms a dinuclear CuI helicate and a mononuclear CoII complex; one of the ester groups appears to be involved in complexation in the latter. All the complexes were characterised by single-crystal X-ray structure determinations. (© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Modelling the Temperature Dependence of Thermophysical Properties in a Closed Method for Regenerative Heat-Exchanger Simulations

A new technique for the computer simulation of thermal regenerators is presented. The method is both closed and allows for the spatial representation of the temperature dependence of the thermophysical properties of fluid and solid which strongly influence the realistic modelling of high-temperature regenerators. It is shown that the method is computationally more efficient than a comparable open scheme.
Removal of chromium [Cr(VI)] from contaminated solutions by using biogenic ferrous iron in bioreduced minerals

Abiotic reduction of Cr(VI) by ferrous iron was investigated in the presence of bioreduced goethite, hematite and two types of nontronites (NAU-1 and NAU-2). Bioreduction experiments were performed with structural Fe(III) in the minerals as sole electron acceptor, lactate as sole electron donor, Shewanella putrefaciens CN32 cells as a mediator and anthraquinone-2,6-disulfate (AQDS) was added as an electron shuttle. The results showed that bioreduction of Fe(III) occurred in all the studied minerals and the reduction increased with the application of AQDS. The maximum (21%) and minimum (3%) bioreduction of Fe(III) occurred in the nontronite (NAU-2) and hematite, respectively. The removal of Cr(VI) for all studied minerals was increased with decreasing pH. Most of the abiotic reduction of Cr(VI) by biogenic Fe(II) at pH 7 was observed in the bioreduced NAU-2 treatment with a maximum efficiency about 75%.
On The Refractive Index of Soot at Flame Temperature

Data of the optical constants of soot at flame temperature are presented for the visible and infrared regions (0.4-5 μm). Both real and imaginary parts of the refractive index are determined from in-situ extinction coefficient spectra by fitting to theoretical spectra calculated by using the Mie theory in conjunction with a dispersion model. Particle size used in Mie calculation is experimentally determined by using the Diffusion Broadening Spectroscopy technique. Results are presented for different premixed flat flames (methane, propane and ethylene). It is shown that for high H/C ratio in soot, ie. ,≥ 0.2, the imaginary part of the refractive index is much less than what is generally considered. Consequently, soot volume fraction determined by light scattering techniques is underestimated in some situations.
Genetic structure of Calophyllum inophyllum mother trees at a provenance seed stand based on simple sequence repeats marker.

This study aimed to assess genetic structure of Calophyllum inophyllum mother trees using simple sequences repeats (SSR) markers to control genetic diversity at a provenance seed stand. Leaf samples were collected for DNA templates and 6 SSR primers were used. Genetic data of 280 trees were analyzed by FSTAT software, while PCoA was analyzed by GeneAlex. Results showed that number of allele (NA) per SSR primer between 3 and 4, the allelic richness (AR) ranged 2.805 to 4.000, the expected heterozygosity (HE) ranged 0.018 to 0.631, inbreeding coefficient (FIS) of overall SSR primers were insignificant deviate from Hardy-Weinberg Equilibrium, excepted NY3 primer. The mean HE values of mother trees in the TBP was in low (mean HE= 0.272). However, the mean coefficient inbreeding values was not significant. PCoA analysis showed that the seed stand consisted genetically related trees; the 280 trees originated from only 5 -6 mother trees. This is because the stand was originated from a conservation stand with narrow genetic differentiation. Management of the seed stand was discussed.
Separate Estates: A Case Study Analysis of Competency Assessment Processes among Clinicians in a Canadian Academic Hospital

This study examined competence and competency assessment of regulated health professionals (RHPs) through a case study approach that utilized the Boyatzis model of effective performance. In order to explore how competency assessment was enacted and understood, and how RHPs perceived and experienced competency assessment in a large Canadian academic hospital, the study used three sources of data: key informant interviews (n=19), focus group interviews (n=32), and a review of organizational documents. Participants included RHPs, managers, directors, executives, and other non-health participants, such as human resources professionals. Data were analyzed inductively using Braun and Clark’s (2006) theoretical thematic analysis, and deductively using Hsieh and Shannon’s (2005) directed content analysis, all in NVivo Version 11 for Windows. Data revealed the absence of common language for competence across the hospital’s RHP participants. Participants referred to regulatory concepts and competency frameworks when asked to define and describe competence or competency assessment in the hospital setting. At the same time, a strong organizational rhetoric around excellence was evident, as was frequent commentary on incompetence. There was little discussion on RHPs who fell between excellence and incompetence. When describing organizational competency assessment processes, participants were equivocal about what was assessed and whether this assessment focused on organizational values or practice competencies.
Analysis of plastic deformation in atomic force microscopy: Application to ice

In force measurements with the atomic force microscope AFM often nonelastic deformations of the sample are observed. This is especially the case for AFM experiments on ice. In this paper two theoretical approaches are used to calculate the indentation of the tip. First, in an extended plastic indentation model we assume that the pressure exerted by the tip plastifies the sample material once the pressure exceeds three times the yield stress. The rate of plastification limits the indentation speed. With two parameters this model adequately describes measured force curves on ice in a temperature range of 4°C to20°C and for driving speeds of 0.8 to 110 m/s. The calculation also shows that in general plastic deformation can lead to different force curves depending on the driving speed. For low driving speeds a jump-in and a linear force curve is expected. For fast driving speeds plastic deformation leads to curved force curves with gradually increasing slope. Second, in a hydrodynamic model we assume that the presence of the tip surface leads to an interfacial premelting of the ice. The flow of the liquidlike water out of the gap between tip and bulk ice is limiting the indentation speed of the tip. The hydrodynamic model does not fit measured force curves as good as the extended plastic indentation model and viscosities which are unrealistically high need to be assumed. Hence, we can exclude that a liquidlike layer of a thickness significantly larger than a monolayer exists in AFM experiments on ice. © 2000 American Institute of Physics. S0021-96060070827-0
Enhanced carrier confinement effect by the multiquantum barrier in 660 nm GaInP/AlInP visible lasers

Multiquantum barriers (MQBs) were introduced into 660 nm GaInP/AlInP lasers with superlattice confinement (SLC) layers, resulting in drastic improvements in lasing performance. Lowest threshold current densities (840 A/cm2) and highest room‐temperature values for T0 (167 K) ever reported for 660–680 nm range lasers with bulk active layers were achieved. High‐temperature characteristics of the threshold current densities were measured in order to investigate the enhanced carrier confinement effect of MQBs and to estimate the excess nonradiative recombination current component. From the temperature dependence on the excess current density, the activation energies E0 of nonradiative processes were estimated to be 0.45 eV for MQB‐SLC lasers, and 0.26 eV for conventional SLC lasers without MQB. The increase of E0 demonstrates the enhanced heterobarrier effect by MQBs.
Precision calibration of a static pressure divider by means of a spinning rotor gauge

A method for precision calibration of a static pressure divider and for characterization of its ultrahigh vacuum (UHV) capabilities is described. The method makes use of the gas expansion technique with a spinning rotor gauge (SRG) for pressure determination. Relative volume calibration is performed with uncertainties below 0.02% at pressures in the upper high vacuum range. The method simultaneously allows for a linearizing correction of the SRG characteristic. In the UHV section of the apparatus, an outgassing rate of 30 pPa m/s, nitrogen equivalent, is determined under seal‐off conditions. This figure is derived from an observed 4 μPa/h pressure increase as measured by the SRG. A UHV base pressure of about 1 nPa is derived from the same SRG record by taking into account the estimated pumping speed at the exhaust valve.
Rapid formation of black titania photoanodes: pulsed laser-induced oxygen release and enhanced solar water splitting efficiency

Solar energy is a key part of creating a sustainable society. Pulsed ultraviolet laser irradiation of titania films is a simple process for making oxygen-deficient black titania (TiO2−x) films that use the solar spectrum efficiently. TiO2−x photoanodes were obtained by KrF laser irradiation under low-vacuum conditions for several minutes. The TiO2−x film had a larger absorbance than pristine TiO2 in the visible light region, and it exhibited a substantial increase in photoelectrochemical water splitting under simulated solar light. The solar-to-hydrogen efficiency of the TiO2−x photoanode reached 0.52%, which was 2.6-fold higher than that of the pristine TiO2 photoanode. This rapid fabrication process for black titania photoanodes has great potential for industrial solar hydrogen production.
Vibrational Spectroscopy in Clinical Analysis

Abstract: Vibrational spectroscopy includes several different techniques, the most important of which are mid-infrared (IR), near-IR, and Raman spectroscopy. Raman and mid-IR spectroscopy are complementary techniques and usually both are required to completely measure the vibrational modes of a molecule. Vibrational spectrometry covers a series of well-established analytical methodologies suitable to be employed for both qualitative and quantitative purposes. In the first part of this review, we will focus on theoretical aspects related to vibrational techniques; in the second part, the most important papers, published during the period 2005–2014, related to clinical analysis performed with vibrational spectroscopy techniques will be critically discussed.
Materials with perpendicular magnetic anisotropy for magnetic random access memory

Materials with perpendicular magnetic anisotropy (PMA) are being investigated for magnetic random access memory (MRAM) and other spintronics applications. This article is an overview of the developments in this topic. At first, a historical overview of the magnetic memory is presented along with the fundamentals of MRAM using the field‐assisted scheme. Later on, the principle of spin‐transfer torque (STT) is explained briefly along with the STT‐MRAM design requirements. Here, it is described that the MRAM design is a challenge where a choice has to be made to meet five criteria, a phenomenon called MRAM pentalemma. The main part of the article focuses on the discussion of materials with PMA. The focus is made first on multilayers such as Co/Pd and Co/Pt which have been widely investigated, followed by the recent observation of PMA in FeCoB. In subsequent sections, the progress in future candidates such as FePt is discussed. The article concludes with a summary of the challenges and future directions in this research topic. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Morphology determination of defect‐rich diblock copolymer films with time‐of‐flight grazing‐incidence small‐angle neutron scattering

The complex nanomorphology of a defect-rich deuterated poly(styrene-block-methyl methacrylate), P(S-b-MMAd), diblock copolymer film is determined with a combination of grazing-incidence small-angle neutron scattering (GISANS) and time-of-flight (TOF) mode. TOF-GISANS enables the simultaneous performance of several GISANS measurements that differ in wavelength. The resulting set of GISANS data covers different ranges of the scattering vector and has different scattering depths. Thus surface-sensitive and bulk-sensitive measurements can be performed simultaneously. The P(S-b-MMAd) film exhibits a lamellar microphase separation structure, which because of the defects is arranged into small, randomly oriented grains, composed of four–five lamellar repetitions. In the near-surface region, the lamellar structure is oriented parallel to the substrate, which explains the smooth surface found with atomic force microscopy.
Chemical etching of Si by Ag nanocatalysts in HF‐H2O2: application to multicrystalline Si solar cell texturisation

Metal-assisted chemical etching (MAE) was used as an alternative route to texturise the front surface of multicrystalline Si solar cells. Ag nanoparticles deposited by an electroless method on the Si surface acted as catalysts for Si etching in a solution containing HF and H2O2, an oxidizing species. MAE formed a duplex structure at the surface of the Si wafer consisting in a mesoporous Si layer that after dissolution in NaOH revealed the second structure, which is a macrotexturised surface. After texturisation, the effective reflectivity (AM1.5G, 400-1000 nm) ranged between 12% and 15% depending on the duration of the dissolution treatment of the mesoporous layer. MAE texturised solar cells were compared to NaOH texturised solar cells made with similar wafers (∼25% in effective reflectivity). MAE texturisation leads to a gain in fill factor (FF) but not in short-circuit current (JSC) (from average values). The best MAE cell exhibited higher JSC (+2%) and efficiency (16.1%) compared to the best NaOH cell (15.7%). (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Simulation of VC precipitate evolution in steels with consideration for the formation of new nuclei

A numerical method of simulation of precipitate ensemble evolution is suggested, accounting for the formation of new centres of nucleation. This method is based on the mean field approximation for the description of evolution of the particles present and on the classical theory of nucleation for calculation of the formation rate of new nuclei. It may be used for simulation of evolution of constant composition precipitates in multicomponent alloys at different stages of the process. The method is used for simulation of VC precipitate evolution in steels, and the results of these calculations are compared with the available experimental data.
CONTENT OF NITRATES V AND III AND HEAVY METALS IN SELECTED BRASSICA VEGETABLES DEPENDING ON STORAGE

The study has been performed to analyze the content of nitrates V and III as well as lead and cadmium in Brassica vegetables, both fresh and after 5-month storage in a cool storeroom. The experimental material consisted of Chinese cabbage, red and white cabbage, savoy cabbage and Brussels sprouts. The content of nitrates in the plant material was determined with the spectrophotometric method based on Griess reaction, whereas concentrations of heavy metals were assayed with the AAS method after dry mineralization. The 5-month storage period was found to decrease (by ca 65±5%) the content of nitrates V in savoy cabbage and Brussels sprouts. In turn, a ca 2-fold increase in the concentration of these compounds was determined in Chinese cabbage, and a similar tendency was observed in white cabbage. Chinese cabbage turned out to be the richest in the analyzed, undesirable elements and compounds, e.g. after storage it was characterized by an exceeded permissible level of nitrates V (750 mg kg –1 f.w.) and by the biggest, ca 10-fold, increase in concentrations of lead and cadmium. Besides, storage was observed to cause a significant increase in the content of nitrates III in the analyzed vegetables, except red cabbage, in which their content was shown to decrease by about 40%. Concentrations of nitrates III and V, Pb2+ and Cd2+ in tissues of the cabbage plants should be monitored regularly in order to prevent their excessive accumulation in the food chain of man.
A critical examination of data on the dissociative adsorption and associative desorption of hydrogen at copper surfaces

We examine experimental data on the activated dissociative adsorption and associative recombination of hydrogen at copper surfaces with respect to the role played by molecular vibrational states. We use models describing the variation of the adsorption probability with the vibrational state, kinetic energy, and angle of the incident molecules, establishing the parameters of the models by a nonlinear least squares fit to adsorption data. Using the principle of detailed balance, we apply these models to the corresponding data on associative desorption thus comparing adsorption data with desorption angular, velocity, and internal state distributions. The most consistent picture resulting from this analysis is that the adsorption has significant contributions from both H2(v=0) and H2(v=1) and that these components have markedly different translational thresholds. Within the framework of this picture we are able to resolve the apparent contradiction between the strong angular dependence of the kinetic energy r.
Thermodynamical and plasma-driven kinetic growth of high-aspect-ratio nanostructures: effect of hydrogen termination

The results of studies on the growth of high-aspect nanostructures in low-temperature non-equilibrium plasmas of reactive gas mixtures with or without hydrogen are presented. The results suggest that the hydrogen in the reactive plasma strongly affects the length of the nanostructures. This phenomenon is explained in terms of selective hydrogen passivation of the lateral and top surfaces of the surface-supported nanostructures. The theoretical model describes the effect of the atomic hydrogen passivation on the nanostructure shape and predicts the critical hydrogen coverage of the lateral surfaces necessary to achieve the nanostructure growth with the pre-determined shape. Our results demonstrate that the use of a strongly non-equilibrium plasma is very effective in significantly improving the shape control of quasi-one-dimensional single-crystalline nanostructures.
PREPARATION AND EVALUATION OF TRANSDERMAL PATCH OF DESLORATADINE

Transdermal patches are innovative drug delivery systems and can be used for achieving efficient systemic effect by passing hepatic first pass metabolism and increasing the fraction absorbed. The transdermal therapeutic system provide for continuous drug release through intact skin into the systemic blood stream during a prolong time at a preset rate. Desloratadine, on oral administration, may cause many adverse effects such as headache, fatigue, dryness of mouth, nose or throat, nausea, vomiting, drowsiness etc. and it is also poorly water soluble, so it shows dissolution rate limited absorption. To avoid these problems, the matrix type transdermal patches of Desloratadine are prepared by solvent casting technique on mercury substrate. For this purpose transdermal patches were prepared by using film forming polymer such as HPMC 6 cps with PG as a plasticzer by solvent evaporation technique. The patches produced were found to be satisfactory in terms of physicochemical properties like appearance, thickness, weight variation, folding endurance, moisture content, tensile strength, percent elongation at break and percent drug content. Prepared patches exhibited zero order kinetics permeation of the drug from the patches was governed by a diffusion mechanism. Drug-excipient interaction studies will be carried out using FTIR technique. The optimized batch (F7- HPMC 6 cps 6% and PG 3%) was subjected to stability studies for a period of 1 month. The results indicated that there was no appreciable change in the values of in vitro diffusion profile.