Miracle-dz/UniFAR-FTUs huggingface dataset:
Preparation and Crystallinity of Molybdenum and Tungsten Sulfides

The sulfides of molybdenum and tungsten in the composition range MS3 to MS2 have been investigated. Molybdenum trisulfide was prepared by a variety of methods; the products were amorphous in all cases. The thermal decomposition of the trisulfide, leading to crystalline molybdenum disulfide, was studied by X-ray diffraction and a model for the crystallization process is proposed. Molybdenum disulfide prepared by this method or from the elements always was of the hexagonal form. The rhombohedral form of molybdenum disulfide can be prepared from a molten medium; again, a model for the crystallization process is proposed. Quite analogous results were obtained for the tungsten sulfides: Tungsten trisulfide was always found to be amorphous. Tungsten disulfide prepared by thermal decomposition of the trisulfide or from the elements is of the hexagonal form, but a rhombohedral modification of tungsten disulfide could be prepared in the same way as the isotypic molybdenum compound. The unit-cell dimensions of the disulfides are communicated. Die Molybdan- und Wolframsulfide der Zusammensetzungen MS3 bis MS2 wurden untersucht. Molybdantrisulfid wurde nach verschiedenen Methoden dargestellt; die erhaltenen Produkte waren in allen Fallen amorph. Die thermische Zersetzung von Molybdantrisulfid zum kristallinen Disulfid wurde rontgenanalytisch untersucht; fur den Kristallisationsprozes wird ein Modell vorgeschlagen. Das auf diese Weise oder durch Synthese aus den Elementen dargestellte Molybdandisulfid gehorte immer der hexagonalen Modifikation an. Rhomboedrisches Molybdandisulfid kann aus Carbonat-Schmelzen dargestellt werden; auch fur diesen Vorgang wird ein Modell vorgeschlagen. Ganz analoge Ergebnisse wurden fur die Wolframsulfide erhalten: Auch reines Wolframtrisulfid erwies sich in allen Fallen als amorph. Durch thermische Zersetzung des Trisulfids oder durch Synthese aus den Elementen wurde die hexagonale Modifikation des Wolframdisulfids erhalten. Eine rhomboedrische Form des Wolframdisulfids konnte auf dieselbe Weise wie die isotype Molybdanverbindung dargestellt werden. Die Gitterkonstanten der Disulfide werden mitgeteilt.
Upland rice, common bean, and cowpea response to magnesium application on an oxisol

Abstract Even though Mg is an essential nutrient. the response of upland rice, common bean, and cowpea to Mg application has not been adequately documented in Brazilian oxisols. This study was conducted to examine the influence of Mg application on growth and nutrient uptake by upland rice (Oryza sativa L.), common bean (Phaseolus vulgaris L.), and cowpea (Vigna unguiculata L. Walp.) on an oxisol. Magnesium levels in the soil were created at sowing by application of MgO at rates of 0.30, 1.05, 1.15, 1.33, 3.52, and 6.22 cmol Mg/kg of soil. Application of Mg did not have a significant beneficial effect on dry weight of roots and tops of rice and cowpea. Common bean root and top dry weights were increased with Mg applications up to 1 cmol Mg/kg of soil. Uptake of N, P, K, Ca, Cu, Zn, Fe, and Mn by the three crops was significantly (P < 0.01) decreased by increasing Mg levels in the soil. Results related to changes in chemical properties of soil with the application of Mg are also presented.
Robust observer-based control for discrete-time semi-Markov jump systems with actuator saturation

This paper investigates the control synthesis for discrete-time semi-Markov jump systems with nonlinear input. Observer-based controllers are designed in this paper to achieve a better performance and robustness. The nonlinear input caused by actuator saturation is considered as a group of linear controllers in the convex hull. Moreover, the elapse time and mode dependent Lyapunov functions are investigated and sufficient conditions are derived to guarantee the \begin{document}$ H_\infty $\end{document} performance index. The largest domain of attraction is estimated as the existing saturation in the system. Finally, a numerical example is utilized to verify the effectiveness and feasibility of the developed strategy.
An Investigation of Size-Dependent Concentration of Trace Elements in Aerosols Emitted from the Oil-Fired Heating Plants

Aerosols emitted from two oil-fired heating plants were aerodynamically separated into eight size groups and were analyzed using the photon-induced X-ray emission (PIXE) technique. It was found that Zn, Mo, Ag, and Pb, and (to a lesser extent) Cd, have a tendency to concentrate preferentially on the smaller aerosols. All of these elements, in certain chemical forms, are known to be toxic. Zinc and molybdenum, although present in low concentrations in the parent fuels, show the strongest tendencies to be concentrated in finer aerosols. Selenium, previously reported to show a very strong tendency to concentration in finer fly ash from coal-fired power plants shows little preference for surface residence. Vanadium, which occurs in significant concentration in the oil fuels for both plants, also shows little preference for surface concentration. Even though the absolute concentrations of the toxic elements involved are well below the safety levels established by the National Institute for Occupational Safety and Health (NIOSH), it would be advisable to raise the heights of the heating-plant exhaust chimneys well above the neighborhood buildings to insure more efficient aerosol dispersal.
Prediction of Petroleum Hydrocarbon Bioavailability in Contaminated Soils and Sediments

Recently, several laboratory methods have been developed for the prediction of contaminant bioavailability. So far, none of these methods has been extensively tested for petroleum hydrocarbons. In the present study we investigated solid-phase extraction and persulfate oxidation for the prediction of total petroleum hydrocarbon (TPH) bioavailability. One sediment and two soil samples were subjected to solid-phase extraction, persulfate oxidation, and biodegradation, after which hydrocarbon removal was compared. It was demonstrated that a short solid-phase extraction (168 h) provided a good method for the prediction of the extent of TPH degradation in an optimized slurry reactor (84 d). Solid-phase extraction slightly underestimated the degradation of readily biodegradable hydrocarbons, whereas it slightly overestimated the degradation of poorly biodegradable hydrocarbons. Persulfate oxidation appeared to be unfit for the prediction of TPH bioavailability as persulfate was unable to oxidize hydrocarbons with a high ionization potential. Hydrocarbons that were affected were likely to be transformed rather than completely oxidized. Nevertheless, persulfate oxidation provided a good method for the prediction of polycyclic aromatic hydrocarbon (PAH) bioavailability.
Pattern formation in restricted geometries: The NO+CO reaction on Pt(100)

Employing photoelectron emission microscopy (PEEM) as the spatially resolving technique, pattern formation during the catalytic reduction of NO with CO has been investigated on a microstructured Pt(100)/Ti/TiO2 surface in the 10−6 and 10−5 mbar range. The microstructured surface—initially created by a lithographic technique—shows restricted Pt(100) domains of varying size and geometry, such as circles, rings, and dumbbells, surrounded by an inert Ti/TiO2 layer. It is shown that pattern formation during the NO+CO reaction, i.e., the propagation of pulses on the Pt(100) surface, is significantly affected by the size and the geometry of these domains.
Electronic excitations in branched conjugated oligomers: A quasiparticle view and tight-binding models

90 Autobiographical Statement . 92
Theoretical study on the atmospheric reaction of CH3SH with O2

A quantum chemical investigation on the reaction mechanism of CH3O2 with OH has been performed. Based on B3LYP and QCISD(T) calculations, seven possible singlet pathways and seven possible triplet pathways have been found. On the singlet potential energy surface (PES), the most favorable channel starts with a barrierless addition of O atom to CH3O2 leading to CH3OOOH and then the OO bond dissociates to give out CH3O + HO2. On the triplet PES, the calculations indicate that the dominant products should be 3CH2O2 + H2O with an energy barrier of 29.95 kJ/mol. The results obtained in this work enrich the theoretical information of the title reaction and provide guidance for analogous atmospheric chemistry reactions. © 2015 Wiley Periodicals, Inc.
Dust and Bioaerosols At a Biosolids Composting Facility

Workers at composting facilities are exposed to organic dusts and bioaerosols. The bioaerosols of major concern are Aspergillus fumigatus (A. fumigatus) and endotoxin. An evaluation of employee exposure to dust, endotoxin, and A. fumigatus spores was conducted in a totally enclosed biosolids composting facility that composts biosolids with sawdust. Total and respirable dust, endotoxin, and A. fumigatus were measured during several of the major composting activities. Periodic total dust levels exceeded the OSHA PEL standard for nonspecific dust. Endotoxin levels as high as 640 ng/m3 were recorded when piles were torn down. During mixing of biosolids and sawdust, A. fumigatus counts exceeded 6,000 CFU/m3. Based on the data obtained, several mitigation measures were implemented. Evaluation of the facility after the changes were made found that levels of total dust, endotoxin, and A. fumigatus were reduced by 90 percent.
Wpływ substytucji mleka owczego mlekiem krowim na właściwości bundzu

S t r e s z c z e n i e Celem pracy bylo stwierdzenie roznic w skladzie chemicznym i cechach fizycznych mleka owczego, krowiego i mieszanego krowio-owczego oraz wyprodukowanych z niego serow, a ponadto określenie czy na podstawie przeprowadzonej analizy fizykochemicznej sera mozna wnioskowac o ewentualnym dodatku do mleka owczego mleka krowiego. Materialem do badan bylo mleko polskich owiec gorskich, krow nizinno-czarno-bialych oraz mleko mieszane w stosunku 1 : 1 obu gatunkow zwierząt. Mleko poddano analizie, oznaczając: gestośc, kwasowośc miareczkową, pH, a takze zawartośc suchej masy, bialka, tluszczu oraz profil kwasow tluszczowych. Z mleka wyprodukowano trzy rodzaje bundzu: owczy, krowi i mieszany. Przeprowadzono analize bundzow, oznaczając: zawartośc suchej masy, tluszczu, bialka, a takze pH, kwasowośc miareczkową, parametry tekstury i profil kwasow tluszczowych. Stwierdzono, ze podstawowymi wskaźnikami mieszania mleka owczego z krowim moze byc rownoczesne badanie pH i kwasowości miareczkowej, a szczegolnie analiza skladu tluszczu, z uwzglednieniem zawartości kwasu kaprynowego. Wykrywanie dodatku mleka krowiego do owczego w produkcie gotowym, jakim jest bundz, nie jest mozliwe na podstawie badania podstawowego skladu chemicznego i tekstury sera, natomiast pomocne moze byc oznaczenie profilu kwasow tluszczowych w tluszczu sera, a szczegolnie zawartości w nim kwasu kaprynowego. Slowa kluczowe: mleko owcze, krowie, mieszane, bundz, sklad chemiczny, tekstura, kwasy tluszczowe
Salt or Cocrystal? A New Series of Crystal Structures Formed from Simple Pyridines and Carboxylic Acids

The two-component crystals formed from pyridine or 4-dimethylaminopyridine with maleic, fumaric, phthalic, isophthalic, or terephthalic acids were characterized by X-ray diffraction. The two-component solid forms involving pyridine included both salts and cocrystals, while 4-dimethylaminopyridine crystallized exclusively as a salt, in agreement with the differences in the pKa values. Five previously unknown salt solid forms of 4-dimethylaminopyridine and the crystal structure of a pyridine fumaric acid (2:1) cocrystal are reported. An in-situ base catalyzed isomerization of maleic acid was observed in cocrystallization experiments involving pyridine. The salts formed between 4-dimethylaminopyridine and fumaric acid included one or two fumaric acid molecules within the crystal lattice. Thus, the reported grid of crystal forms demonstrates the limitations of empirical rules for predicting the stoichiometry and covalent bonding of the acidic proton within salts and cocrystals. Many of the crystal structures .
Microencapsulation of doxycycline into poly(lactide‐co‐glycolide) by spray drying technique: Effect of polymer molecular weight on process parameters

Poly(lactide-co-glycolide) (PLGA) polymers with three different molecular weights were prepared, and microparticles were produced by spray drying and water-in-oil-water (w/o/w) double emulsion techniques to encapsulate 86% of doxycycline (DXY), an antibiotic drug, for the use of periodontitis. Placebo and drug-loaded microspheres and pristine DXY were analyzed by Fourier transform infrared spectroscopy, which indicated no chemical interactions between DXY and PLGA. X-ray diffraction of drug-loaded microspheres confirmed the molecular level dispersion of DXY in PLGA. Scanning electron microscopy confirmed spherical nature and smooth surfaces of the microspheres. Mean particle size as measured by laser light scattering technique ranged between 10 and 25 μm. In vitro release of DXY performed in 7.4 pH media continued up to 72 h and depended on molecular weight of PLGA and extent of DXY loading. Antimicrobial studies performed on one formulation and placebo microspheres suggested that drug concentrations during in vitro release are above the minimum inhibitory concentration (MIC) for Staphylococcus aureus growth. Overall, the release studies depended on the molecular weight of PLGA, extent of drug loading, and the method used to prepare microspheres. Statistical analyses of release data performed using the analysis of variance (ANOVA) method agreed well with experimental observations. © 2008 Wiley Periodicals, Inc. J Appl Polym Sci, 2008
Self-Assembly of Colloidal Spheres with Specific Interactions

In this thesis, I discuss engineering colloidal particles to have specific, isotropic interactions and studying their cluster geometries in equilibrium. I discuss light scattering experiments showing that a highly specific protein, Dscam, is unstable against thermal aggregation. This result lead me to use DNA instead to control interparticle specificity. I coated 1-micron diameter polystyrene particles uniformly with DNA. I used fluorescence microscopy with oxygen-scavenging enzymes to observe these particles self-assembling in clusters. These experiments show that a packing of 6 spheres that is rarely seen in a single-component system is observed very often in an optimized 3-species system. Then I show experiments using the same 3 species but 9 total particles, finding that the equilibrium yields of the most likely cluster relative to other stable clusters are lower than at 6 particles. I conclude from these experiments that optimizing the assembly of an otherwise unlikely configuration may require nearly as many species as particles. Finally, I investigate the scalability of self-assembly of particles with isotropic and specific interactions theoretically. I use both exact and approximate partition functions to show that spheres with specific interactions can have energy landscapes with thermodynamically large numbers of strictly local minima relative to the number of their ground states. Compared to single-component systems, these systems of many different species may spend much more time in kinetic traps and never reach their ground states. Finally, I discuss briefly some directions for further study, including questions of how the results in this thesis may be related to protein folding and complex formation.
Science and technology of tributyl phosphate

Volume 3 is primarily devoted to the PUREX process, with special emphasis on its chemistry. Chapter 1 describes the general process layout and special flowsheets applied in various plants, together with the chemistry of both the product elements and the process reagents. Two more chapters deal with the details of fission product and neptunium behavior in the process. Another nuclear application of tributyl phosphate (TBP) solvent extraction is the recovery of plutonium values from fuel fabrication scrap and similar wastes, which is treated in Chapter 4. Computer modeling of extraction processes is an exciting and most useful area where great progress has been made in recent years, and this is dealt with in Chapter 5. Finally, there are extraction procedures where TBP does not primarily act as an extractant by itself, but instead is used as a phase modifier to improve the compatibility of reactants in a different extractant-diluent system.
Surface-induced magnetism in C-doped SnO2

The magnetism of C-doped SnO2 (001) surfaces is studied using first-principles calculations. It is found that carbon does not induce magnetism in bulk SnO2 when located at the oxygen site but shows a large magnetic moment at the SnO2 (001) surface. The magnetic moment is mainly contributed by the carbon atoms due to empty minority spins of p orbitals and is localized at the surface and subsurface atoms. No magnetism is observed when the carbon atom is located at the subsurface oxygen sites. The origin of magnetism is discussed in the context of surface bonding.
ELECTRON TRANSPORT OF INHOMOGENEOUS SCHOTTKY BARRIERS

A novel approach is presented which leads to analytic solutions to the potential and the electron transport through inhomogeneous Schottky barriers. The existence of barrier height nonuniformities is shown to provide a simple explanation of the following abnormal experimental results, routinely observed from various Schottky barriers: greater‐than‐unity ideality factors, the T0 effect, the ‘‘soft’’ reverse characteristics, and the dependence of barrier height on the technique of measurement.
Regional Deposition in Human Lung of 2.5 μM Particles

Regional deposition in the lung of111 In-labelled Teflon particles with an aerody-namic diameter of 2.5 μm was studied in eight healthy nonsmokers. The particles were inhaled at 0.5 l/sec with maximally deep breaths. Bronchoconstriction was induced by inhalation of a methacholine bromide aerosol, for one exposure series before (provocation experiment) and for one exposure series after (control experiment) inhalation of the Teflon particles. Airway resistance (Raw) was measured with a whole-body plethysmograph before and after the induction of bronchoconstriction and increased on an average by a factor of 3—4. The total lung deposition, in percent of the inhaled radioactivity, was 83 ± 6% (mean ± SD) for the control experiment and 84 ± 5% for the provocation experiment. Alveolar deposition, estimated as the percentage retention of lung deposition after 24 hrs (Ret24), was significantly lower in the provocation experiment than in the control experiment, 42 ± 10% and 77 ± 12%, respectively. Ret24 varied grea.
Hypothesis of a proton switch in QM/MM modelling of interaction of dUMP analogues with thymidylate synthase

Quantum mechanical, molecular mechanics and molecular dynamics (MD) methods were used to investigate initial steps of 2′-deoxyuridine-5′-monophosphate (dUMP) methylation catalysed by the thymidylate synthase (TS) enzyme. The amino acid residues surrounding the active site within a 10 Å radius sphere were modelled with the combined quantum mechanical (B3LYP/LANL2DZ) and molecular mechanics ONIOM double-layer method. The results indicated the initial nucleophilic attack of Cys146 on dUMP to be concerted with formation of a hydrogen bond to the oxygen O4 of dUMP. Moreover, the proton in the vicinity of the O4 atom appears to act as a ‘proton switch’: if a proton is present near O4, it stabilises the S(Cys146)–C6(dUMP) sulphur–carbon bond, but if it is absent, the sulphur–carbon bond does not form. If the O4 oxygen is replaced by sulphur atom, the ‘switch effect’ does not occur. The suggested correlation between the strength of hydrogen bond involving O4 oxygen and the ability of dUMP to form bonds at C6 corresponds well to the crystal structures of TS complexes available in the Protein Data Bank. In the vast majority of crystal structures, the presence of the S(Cys146)–C6(dUMP) bond was coupled with the presence of hydrogen bond between the dUMP O4 atom and the conserved Asn177. The ‘proton switch’ hypothesis is supported also by the results of MD studies of TS binary complexes, suggesting that average distance separating S(Cys146) and C6(dUMP) becomes distinctly shorter in the presence of hydrogen bonding between Asn177 and O4.
Omega Performance Measure and Portfolio Insurance

We analyze the performance of the two main portfolio insurance methods, the OBPI and CPPI strategies, using downside risk measures. For this purpose, we introduce Kappa performance measures and especially the Omega measure. These measures take account of the entire return distribution. We show that the CPPI method performs better than the OBPI. As a-by-product, we determine the set of threshold values for these risk/reward performance measures.
ANALISIS PENGARUH DANA PIHAK KETIGA, LDR, NPL, CAR, ROA, DAN BOPO TERHADAP JUMLAH PENYALURAN KREDIT (Studi pada Bank Umum yang Terdaftar di Bursa Efek Indonesia Periode Tahun 2009-2012)

Banks have a major role in the economy, it is not separated from the role of the banks as an intermediary institution. The bank has a duty to collect funds from the public who and then channeled back ini the form of credit. The lending is not optimal conducted by banks into backgraound of this research. For that to know the influence of third-party funds, loan to deposit ratio (LDR), non performing loan (NPL), capital adequacy ratio (CAR), return on assets (ROA), and operating expenses to operating income ratio (BOPO) to total of loans. The population used in this study is a commercial bank listed on the Indonesia Stock Exchange (BEI) in the period 2009-2012. By using purposive sampling method, it is obtained as many as 24 banks as the study sample. The method of analysis used in this study is multiple linier regression. In this research also include the classical assumption that normality test, multicollinearity test, autocorrelation test, and heteroscedasticity test. Results of this study indicate that the third-party funds and loan to deposit ratio (LDR) significant positive effect to total of loans. While non performing loan (NPL), capital adequacy ratio (CAR), return on assets (ROA), and operating expenses to operating income (BOPO) are not significant effect to total of loans.
Synthesis and characterization of ce-doped Y 3 Al 5 O 12 (YAG:Ce) nanopowders used for solid-state lighting

Nano-Ce-doped Y3Al5O12 (YAG:Ce) powders were synthesized by using a sol-gel low temperature combustion method, followed by thermal annealing. The annealing temperature for enriching nanoparticles was optimized and found to be 1000°C. The process for enriching uniform nanoparticles of YAG:Ce powder was carried out by using the nanosteam technique (NST). The nanoparticles obtained from this NST treatment had a size in the range of 9-20 nm. Measurements of the photoluminescence spectra of the dispersed YAG:Ce nanoparticles solutions showed a blue shift in the photoemission with a value of ca. 10 nm in the green region. WLEDs made from the blue LED chip coated with the nano-YAG:Ce + MEH-PPV composite epoxy exhibit white light with a broad band luminescent spectrum and a high color rending index (CRI). The photoluminescence spectra of the YAG:Ce nanoparticles showed a potential application of the prepared nanostructured YAG:Ce phosphor not only in energy-efficient solid-state lighting, but also in optoelectronic devices, including organic composite solar cells. In addition, it is suggested that NST can be applied for the enrichment of uniform inorganic nanoparticles.