Miracle-dz/UniFAR-FTUs huggingface dataset:
Reactions of Nitrogen Atoms. I. Oxygen and Oxides of Nitrogen

Several reactions of nitrogen atoms have been investigated in a low‐pressure flow system, using the principle of a ``stirred reactor'' and a mass spectrometer for the determination of steady‐state concentrations.The elementary processes which have been definitely demonstrated to occur and their rate constants are as follows: N+NO=N2+Ok1≥4×1011 cc mole−1sec−1(1)N=O2=NO+Ok8=2×1012×exp(−6200/RT) cc mole−1sec−1(8)N+NO2=N2O+O10−2k1<k9<10k1(10)O+NO=NO2k3≥1013 cc mole−1sec−1(3)O+NO2=O2+NOk6≥1012 cc mole−1sec−1. (6) Unless indicated, the rate constants are at room temperature.The rate constant of nitrogen atom reaction with nitrous oxide is less than 108 cc mole—1 sec—1 at 280°; that of oxygen atoms is less than 2×108 at room temperature, neither having been observed to occur.Nitrogen atoms probably react with nitrogen dioxide also by a different mechanism than (10), yielding 2NO and/or N2+O2, at a rate which is competitive with (10). Nitrous oxide is probably formed also by another mechanism, which does not invol.
Salt tolerance of Casuarina equisetifolia and Frankia Ceq1 strain isolated from the root nodules of C. equisetifolia

Abstract Effects of NaCl on the seed germination and growth of Casuarina equisetifolia seedlings and multiplication of the Frankia Ceq1 strain isolated from the root nodules of C. equisetifolia were examined. The germination rate of the seeds markedly decreased as the NaCl concentration increased and germination did not occur at 300 mM NaCl. The fresh weight of both shoots and roots of the seedlings treated with NaCl for 6 weeks apparently decreased as the NaCl concentration increased. However, root nodules were formed by inoculation with the Frankia Ceq1 strain in some seedlings treated with 300 mM NaCl and the viability of the seedlings at 500 mM NaCl was almost the same as that of the seedlings not subjected to the NaCl treatment. The Na+ concentration in the shoots sharply increased with the elevation of the NaCl concentration in the ambient solution, but the level was approximately 300 mM even in the seedlings treated with 500 mM NaCl for 6 weeks. On the other hand, the increase of the Na+ concentration in the roots by the NaCl treatment was much smaller than that in the shoots and the level was less than 150 mM. The growth of the free-living Frankia Ceq1 strain was approximately linearly suppressed as the NaCl concentration in the medium increased and the hyphae became somewhat thicker and shorter or disintegrated in the medium containing NaCl at a concentration above 150 mM. The Na+ concentration in the cells increased as the NaCl concentration in the medium increased, but the level was maintained at less than 30 mM even in the medium containing 500 mM NaCl. The cells whose growth was suppressed by the NaCI treatment grew actively again at almost the same rate as the control cells (not subjected to the NaCl treatment) when they were transferred to NaCl-free medium. These results strongly suggested that both C. equisetifolia seedlings and Frankia Ceq1 strain are highly tolerant to salt and this symbiotic system is useful for the recovery of the vegetation in areas with severe salt accumulation.
Structural Revision of Harrisonin and 12 β-Αcetoxyharrisonin, Two Limonoids from Harrisonia abyssinica

The structures of the known limonoids harrisonin (1) and 12β-acetoxyharrisonin (2), isolated from the root bark of Harrisonia abyssinica, were reanalyzed by modern 1D and 2D NMR spectroscopic methods, and the molecular structure and relative configuration of 12β-acetoxyharrisonin were determined by single-crystal X-ray diffraction. The spectral findings obtained require revision of the structures of these compounds from 1 and 2 to 3 and 4, respectively. The new molecular structures 3 and 4 display a novel limonoid skeleton with a unique five-membered ring B.
Label-Free DNA Biosensor for Electrochemical Detection of Short DNA Sequences Related to Human Papilloma Virus

Abstract Highly sensitive label-free techniques of DNA determination are particularly interesting in relation to the present development of an electrochemical hybridization biosensor for the detection of short DNA fragments specific to the human papilloma virus (HPV). Unlabeled DNA probes have been immobilized by spontaneous coadsorption of thiolated single-stranded oligonucleotides (HS-ssDNA) onto the sensing surface of a screen-printed gold electrode (SPGE). The covalently immobilized single-stranded DNA probe (HS-ssDNA) could selectively hybridize with its complementary DNA (cDNA) in solution to form double-stranded DNA (dsDNA) on the surface. DNA is treated with acid (e.g., 0.5 M chloridric acid), and the acid-released purine bases are directly determined by square wave voltammetry (SWV). Variables of the probe-immobilization and hybridization steps are optimized to offer convenient quantitation of HPV DNA target, in connection with a short hybridization time. Peak currents were found to increase in the following order: hybrid-modified SPGE, 11-base mismatched modified SPGE, 18-base mismatched SPGE, and the probe modified SPGE. Control experiments with noncomplementary oligonucleotides were carried out to assess whether the suggested DNA sensor responds selectively to the target. The effect of the target DNA concentration on the hybridization signal was also studied. Under optimal conditions, this sensor has a good calibration range with HPV DNA sequence detection limit of 2 pg · ml−1 (S/N = 3).
Changes in calcium level in apple cortex tissue shortly before harvest and during postharvest storage

Abstract During 3 consecutive years, occurrences of storage disorders of McIntosh apples (Malus domestica, Borkh.) increased with decreasing Ca concn in the outer cortical flesh at harvest. Time‐course studies showed that during maturation and storage of apples, Ca concn in the core region declined by about 50%. In the outer flesh, Ca concn declined during maturation, reached a minimum at or shortly following harvest, and then rose significantly during subsequent storage. Preharvest treatments increased Ca concentration in the outer flesh at harvest, and did not influence the rise in Ca following harvest.
Effect of fiber modification with carboxymethyl cellulose on the efficiency of a microparticle flocculation system

Carboxymethyl cellulose (CMC) has been used widely to enhance dry strength of paper and uniformity of sheet in the papermaking industry. Besides these positive effects, it may affect the fines retention and dewatering processes negatively. These negative effects are mainly seen when fiber modifications with high CMC dosages are studied in laboratory scale. In this paper, the effect of fiber modification with CMC on the deposition of precipitated calcium carbonate (PCC) and on the dewatering process in the presence of cationic polyacrylamide (CPAM)/bentonite microparticle flocculation system is examined. It was determined that fiber modification with 10 mg g−1 of CMC decreased PCC deposition at the initial addition of CPAM and gave better PCC deposition at 2 mg g−1 of CPAM. It was also observed that PCC deposition on unmodified fibers is higher at lower CPAM concentration. PCC deposition was found as almost stable after a maximum value obtained at 0.5 mg g−1 of bentonite concentration for fiber modified with 40 mg g−1 of CMC. This indicates that interaction between CPAM and bentonite particles changed due to higher surface charge and CMC conformation on fibers. Results of the dewatering experiments showed that CMC modification increased the drainage time due to a denser and more plugged sheet. This negative effect was compensated with higher concentrations of CPAM and bentonite. On the other hand, dewatering is also affected by the mass ratio of CMC and CPAM, which was not the optimum one in this study at lower of CPAM. Thus, the increase in the drainage time in the presence of CMC on the fiber surface could be also caused by incorrect ratios of chemicals because the effect of CMC on the drainage time was not observed at higher concentrations of CPAM.
Nucleosidsynthesen, VII. Eine einfache Synthese von 2-Thiopyrimidin-nucleosiden

Silylierte 2-Thiouracile reagieren mit acylierten Halogenzuckern in Gegenwart von Silberperchlorat in Benzol in hohen Ausbeuten zu den acylierten 2-Thiopyrimidin-nucleosiden. Analog werden 2-Thiocytidin und 2-Thiouridin-5-essigsaure-methylester, zwei seltene Nucleoside aus t-RNA, dargestellt. Der Mechanismus der Reaktion wird diskutiert. Syntheses of Nucleosides, VII. A New Synthesis of 2-Thiopyrimidine Nucleosides Silylated 2-thiouracils react with acylated 1-halosugars in the presence of silver perchlorate in benzene to give the acylated 2-thiopyrimidine nucleosides in high yields. 2-Thiocytidine and methyl 2-thiouridine-5-acetate, two rare nucleosides from t-RNA, are prepared analogously. The mechanism of the reaction is discussed.
Pressure-induced spin transitions of iron in MgSiO3 perovskite: a GGA+U study

First-principles calculations using the GGA+U method have been made to investigate the spin transitions of iron in MgSiO3 perovskite up to 120 GPa, with Fe2+ and Fe3+ at the A and B sites involving different substitution mechanisms and various charge compensation configurations. Our results, unlike those from previous local density approximation and generalized gradient approximation calculations, are now consistent with available experimental data for the spin states of Fe3+ in perovskite. In particular, our calculations show that both Fe2+ and Fe3+ at the A site do not exhibit any spin transition at the lower mantle conditions. However, Fe3+ at the B site in both (Mg0.9375Al0.0625)(Si0.9375Fe0.0625)O3 and (Mg0.9375Fe0.0625)(Si0.9375Fe0.0625)O3 undergoes a high-spin to low-spin transition at ∼ 35 GPa, and this spin-transition pressure is largely independent on substitution mechanisms and charge compensation configurations.
Simultaneous Determination of Maprotiline, Desipramine, and Moclobemide by Reversed-Phase High-Performance Liquid Chromatography and Statistical Optimization

Abstract A method for separation of three antidepressants, maprotiline, desipramine, and moclobemide, by reversed-phase high-performance liquid chromatography (RP-HPLC) was developed and validated. To find optimal conditions and estimate the impact of individual parameters on the separation, a complete set of 23 interdependent relationships of the mobile phase composition, temperature, and the volume flow rate were examined. Full separation of the investigated components from a laboratory mixture was achieved on a Supelcosil LC-18 (120 mm × 4.6 mm, 5 µm) column, using two solvent systems, 3% ammonium ion in water/ethanol and acetonitrile, and alternating isocratic gradient–isocratic elution modes. Relevance of the proposed method for therapeutic drug monitoring is anticipated.
Design and Fabrication of Lightweight, Submillimeter Tubular Solid Oxide Fuel Cells

Here we report lightweight, high-performance tubular solid oxide fuel cells (SOFCs) with 0.8 mm diameter operable at/under 550°C. The SOFCs consist of ordinary materials with a well-designed anode microstructure with porosity of 46% (before reduction) and reduced anode thickness less than 200 μm. Thus, the weight of the SOFC was realized to be 0.015 g per 1 cm tube length (electrode area = 0.25 cm 2 ). The single-cell performance test showed that the peak power densities of the SOFC were 273, 628, and 1017 mW/cm 2 at 450, 500, and 550°C with wet H 2 fuel, respectively.
Synthesis of 3‐substituted N‐aminopyridinium salts

Ring opening of N-(2,4-dinitrophenyl)pyridinium chlorides with hydrazine followed by recyclization resulted in the formation of N-aminopyridinium salts. The scope of this reaction sequence was determined and several new 3-substituted N-aminopyridinium salts were prepared.
Enhancing Employees’ Collaboration Through Trust in Organizations: (An Emerging Challenge in Human Resource Management)

Trust has been recognized as a multi-dimensional concept with its various components. However, the missing link oftrust and collaboration is still being observed in human resource management literature. This study deliberates upon exploringthe linkage between trust and collaboration among employees in an organization. The current research highlights the positivecontribution of trust in building and sustaining collaboration in the organizations. Researchers have elaborated a detailed metaanalysisof literature on trust and collaboration in order to achieve its effectual link with organizational performance. The findingsreveal that trust and collaboration are interdependent processes. Trust is an essential element in building collaboration and highlevel of trust is required to build effective collaborative relationships.
Homogenisation of linear electromagnetic materials : theoretical and numerical studies

The calculation of the electromagnetic response of random composite materials is a matter not only of long-standing scientific interest, but also of increasing technological significance. Provided electromagnetic wavelengths are sufficiently long as compared with the length scales of inhomogeneities, composites may be considered as effectively homogeneous and their constitutive properties estimated by means of homogenisation formalisms. The work of this thesis concerns two aspects of homogenisation theory for linear electromagnetic materials. Firstly, the well-established Maxwell Garnett and Bruggeman homogenisation for­ malisms, along with the recently-developed incremental and differential Maxwell Gar­ nett formalisms, are applied to investigate the constitutive properties of complex com­ posite materials. Two classes of structures are considered: (i) Through a detailed parametric study of a chiroplasma composite, a structure more general than that of the Faraday chiral mediums is revealed; this generalised structure arises when the component phases possess non-spherical topology, (ii) Biaxial composite structures are found to develop whenever the component phases present two noncollinear distin­ guished axes. Distinguished axes of the component phases arising from both electro­ magnetic and topological origins are considered for nondissipative dielectric, dissipative dielectric-magnetic and bianisotropic materials. A generalised biaxial structure, for which the principal axes of the real and imaginary parts of the constitutive dyadics do not coincide, is demonstrated. Additionally, orthorhombic biaxial structures are presented which can arise even though the distinguished axes of the component phases are non-orthogonal. Secondly, the strong-property-fluctuation theory (SPFT) is developed for bian­ isotropic materials, under the bilocal approximation. The SPFT represents a ma­ jor advance over traditional approaches to homogenisation, such as provided by the Maxwell Garnett and Bruggeman formalisms, by accommodating a more comprehen­ sive description of the distributional statistics of the component phases. In particular, the SPFT takes account of scattering losses and in its zero-order implementation the SPFT reduces to the Bruggeman homogenisation formalism. Detailed numerical stud­ ies are presented which highlight the role of the correlation length, as well as the component phase topology and orientation diversity. Also, the choice of covariance function is demonstrated to exert only a secondary influence as compared with the effects of the correlation length. Finally, through calculating the third-order mass operator approximation, the convergence of the bilocally-approximated SPFT is con­ firmed for isotropic chiral composites as well as for chiroferrites which are both weakly uniaxial and weakly gyrotropic.
Acid-Base Characterization of Aluminum Oxide Surfaces with XPS

The localized acid−base properties of different, aluminum oxide thin layer surfaces have been evaluated with X-ray photoelectron spectroscopy (XPS). Five types of oxide layers were studied, which were produced by oxidizing aluminum in a vacuum, with an alkaline and acidic pretreatment, and in boiling water. The photoelectron core level binding energies, as measured with XPS, are evaluated for this purpose, while taking into consideration the initial and final state effects. For the structurally comparable oxides, the shifts in the O 1s binding energies are determined by their initial state chemistry. The values of the O 1s binding energy can be directly related to the surface-averaged charge on the O anions. For the Al cations, a correlation between the photoelectron core level binding energy shift and changes in the initial state chemistry was observed, but the Al 2p binding energy shifts were found to be partially due to changes in extra-atomic relaxation. The measured Al 2p binding energies and the bin.
Synthesis and characterization of acryloyloxy guar gum

Guar gum is a galactomannan commonly used as a viscosity modifier in the food, pharmaceutical, and cosmetics industry. The aim of this study was to synthesize acryloyloxy guar gum via a Schotten-Bauman reaction in aqueous media. The reaction products were characterized using FTIR, C13-NMR, wide angle X-ray diffraction techniques to ascertain the effect of acrylation on the structure of guar gum. The acrylation of guar gum was found to be limited to the primary hydroxyl groups on the guar gum molecule. The maximum degree of substitution (DS) was found to be 0.56, which was observed after 3 h of reaction. Since the reaction was carried out in an aqueous medium after 3 h of reaction the DS of the derivatised guar gum was found to decrease, because of hydrolysis of the formed ester linkages. The ester content and intrinsic viscosity of the derivatised guar gums were also evaluated. Thermal analysis showed that a higher DS resulted in products with lower thermal stability and there was no evidence of reaction via the acrylate groups on heating. © 2010 Wiley Periodicals, Inc. J Appl Polym Sci, 2010
High-Performance Thin-Layer Chromatography Combined with Densitometry for Quantitative Analysis of Phenolic Acids in Complex Mixtures

Protocatechuic acid and caffeic acid in plant extracts, both free and bound as glycosides and ester derivatives, have been determined by HPLC and by HPTLC combined with densitometry. Comparable results were obtained although the HPLC results were somewhat higher. Although traditional isocratic planar chromatography on silica was not successful, multiple gradient development enabled satisfactory separation, and quantitation of the phenolic acids by densitometry.
Thermal boundary resistance of copper phthalocyanine-metal interface

Systems containing interfaces between dissimilar materials can exhibit lower thermal conductivity than their pure constituents, with important implications for thermal management and thermoelectric energy conversion. However, the heat transfer processes at such interfaces, in particular those between organic and inorganic materials, remain for the most part uncharacterized. We use vacuum thermal evaporation to grow archetypal multilayer thin films of copper phthalocyanine (CuPc) and Ag or Al, and measure their thermal conductivity as a function of interface density. We observe large thermal boundary resistance values (7.8×10−8 m2 K/W for CuPc/Ag and 2.0×10−8 m2 K/W for CuPc/Al), attributable to acoustic mismatch, heat carrier mismatch, and weak bonding.
Operation and verification framework for the FRad experimental ASIC

The Institute of Computer Engineering of the Vienna University of Technology developed the FRad-chip, an experimental application specific integrated circuit (ASIC) designed for the analysis of radiation effects in very large scale integrated circuits (VLSI). While simulations have been conducted successfully during the development process, the proper functionality of the fabricated chip has to be shown as well. However, as the chip has a non-standard interface and specific data integrity requirements, no means to access its functionality exist so far. The aim of this thesis is the development of a reliable framework for accessing the capabilities of the FRad-chip and ultimately to verify the ASIC itself in a series of tests. This enables the project team to use the chip for calibrating their fault models. The developed framework consists of two major parts. Firstly the field programmable gate array (FPGA) to control the ASIC and read out the measurement data and secondly a computer software to provide a front-end interface to configure the system and to analyse the resulting data on site. Extensive testing of the ASIC samples have unveiled an issue within the ASIC and made it necessary to fabricate another batch of ASICs. Finally initial experiments in a research reactor have been conducted, however due to the nature of the reactor and the short experiment duration no radiation induced errors have been detected. For a more efficient and comprehensive analysis of all ASIC areas a micro-beam experiment would be necessary to expose and test the individual target circuits in a controlled fashion.
The determination of high-density carrier plasma parameters in epitaxial layers, semi-insulating and heavily doped crystals of 4H-SiC by a picosecond four-wave mixing technique

We applied a picosecond four-wave mixing technique for measurements of carrier lifetimes and diffusion coefficients in highly excited epitaxial layers, semi-insulating and heavily doped 4H-SiC substrates. Optical carrier injection at two different wavelengths (266 and 355 nm) allowed us to vary the depth of the excited region from 1–2 µm to 50 µm, and thus determine photoelectric parameters of carrier plasma in the density range from 2 × 1016 to 1019 cm−3. Strong dependence of carrier lifetime and mobility on carrier density was found in the epitaxial layers. The origin of fast decay components, not resolved previously by photoluminescence and free-carrier absorption techniques in SiC, was attributed to nonlinear carrier recombination. Numerical modelling provided a value of bimolecular recombination coefficient equal to B = (2–4) × 10−11 cm3 s−1 and verified a surface recombination velocity S = 4 × 104 cm s−1. In heavily doped crystals, nonlinear carrier recombination reduced the carrier lifetime down to 1.1 ns, while in semi-insulating ones a lifetime of 1.5–2.5 ns was measured. Temperature dependences of four-wave mixing provided monopolar carrier mobility in heavily doped and bipolar one in semi-insulating crystals, and revealed the contribution of ionized impurity and phonon scattering mechanisms.
Comparison of four methods to compute the dielectric permittivity of liquids from molecular dynamics simulations

Four methods to compute the dielectric permittivity e of a liquid from molecular simulations are compared in the context of the simple point charge (SPC) water model. In the first method (unrestrained method), e is evaluated from the fluctuations of the box dipole moment M, monitored during a single equilibrium simulation. In the three other methods, e is evaluated from the probability distribution p(M) of the dipole moment norm. This distribution is itself evaluated in three different ways: (i) from multiple simulations involving a M-dependent biasing potential (umbrella-sampling method), (ii) from multiple simulations involving a constrained dipole moment norm (M-constraint method), or (iii) from fitting of incomplete p(M) estimates to a Maxwell distribution (fitting method). The four methods are shown to converge to an identical estimate of e=61±1 for SPC water (256 molecules, reaction-field electrostatics). The convergence properties, advantages, and drawbacks of the different methods are analyzed in .