Miracle-dz/UniFAR-FTUs huggingface dataset:
Enhancement of Carrier Mobilities of Organic Semiconductors on Sol–Gel Dielectrics: Investigations of Molecular Organization and Interfacial Chemistry Effects

The dielectric‐semiconductor interfacial interactions critically influence the morphology and molecular ordering of the organic semiconductor molecules, and hence have a profound influence on mobility, threshold voltage, and other vital device characteristics of organic field‐effect transistors. In this study, p‐channel small molecule/polymer (evaporated pentacene and spin‐coated poly(3,3‴;‐didodecylquarterthiophene) – PQT) and n‐channel fullerene derivative ({6}‐1‐(3‐(2‐thienylethoxycarbonyl)‐propyl)‐{5}‐1‐phenyl‐[5,6]‐C61 – TEPP‐C61) show a significant enhancement in device mobilities ranging from ∼6 to ∼45 times higher for all classes of semiconductors deposited on sol–gel silica gate‐dielectric than on pristine/octyltrichlorosilane (OTS)‐treated thermally grown silica. Atomic force microscopy, synchrotron X‐ray diffraction, photoluminescence/absorption, and Raman spectroscopy studies provide comprehensive evidences that sol–gel silica dielectrics‐induced enhancement in both p‐ and n‐channel organic semiconductors is attributable to better molecular ordering/packing, and hence reduced charge trapping centers due to lesser structural defects at the dielectric‐semiconductor interface.
Surface Morphology and Structural Investigation of TiN Nanocrystal Thin Films Grown with Different N2 Concentration

In this work, new information on surface morphology, phase and local structure of titanium nitride (TiN) nanocrystal thin films grown with different nitrogen gas concentration by direct current (DC) magnetron sputtering is provided. Surface morphology of the thin films was studied by field emission scanning electron microscope (FE-SEM). Phase and local structure of the TiN nanocrystals were determined by X-ray diffraction spectroscopy (XRD) and X-ray absorption fine structure (XAFS). The TiN nanocrystals were prepared on silicon substrates. N2/Ar gases were used as reactive gases for sputtering Ti target. The amount of these two reactive gases was varied at different ratios (N2/Ar), i.e. 100:0, 75:25, 50:50 and 25:75 respectively. Our results suggested that sputtering Ti target with high N2/Ar gas raSubscript texttio (higher than 75%) provides good TiN layer while sputtering with low N2/Ar gas ratio (lower than 25%) gives Ti layer instead of TiN. In addition, sputtering with 50% N2/Ar gas ratio gives a multiphase system between TiN and Ti. Local structure parameters of these nanocrystal thin films are reported.
The (b 1Σ+) state of PH in the vacuum ultraviolet photolysis of phosphine

PH (b 1Σ+) has been observed as a primary product in the vacuum ultraviolet photolysis of PH3. The identification has been made from the analysis of some emission bands at 697.3 nm attributed to the transition PH (b 1Σ+→X 3Σ−) and from the measured energy threshold for the excitation of the above bands. The primary photolysis process PH3 (X 1A1) →PH(b 1Σ+) +2H (2S) is consistent with the experimental threshold. The (b 1Σ+) state of PH and the ’’forbidden’’ transition to the ground state have been observed for the first time. The T0 value of PH (b 1Σ+) is 1.78 eV.
Comparative theoretical and experimental studies of two designs of high-power diode lasers

Design and technology developments targeted at increasing both power conversion efficiency and optical output power of GaAs-based diode lasers are under intense study worldwide, driven by the demands of commercial laser systems. The conversion efficiency at the operation point is known to be limited by electrical and optical losses in the p-side waveguide. In this paper an ‘extreme, double asymmetric’ design to mitigate the impact of the p-side waveguide is studied and compared with a more conventional design. An increase of the efficiency at the highest power is demonstrated, but it is less than expected from simulations.
Reservoir Characterization by a Combination of Fuzzy Logic and Genetic Algorithm

Reservoir characterization is the basis of almost all aspects of well drilling and oilfield managements and therefore the precise determination of the reservoir properties has a massive profound impact on the success of the operations. Different methods have been suggested by previous authors for this purpose but complexity of the procedures, lack of precision, and time-consuming nature are the major weak points of such procedures, especially when uncored intervals are intended. In order to defeat such problems, a novel hybrid computational intelligence system is developed through which the optimum inputs (features) are investigated by a combination of genetic algorithm and adaptive network-based fuzzy inference system and then the cluster center's range of influence in each of the data dimension is optimized by the same algorithm. The resulting performances of the modeled cases are then compared by other methods. The considerable improvement in the system accuracies and achieving mean standard error of . 00007 and . 00033 for the porosity and water saturation models, substantiates the power, efficiency, and precision of the stated novel method.
Silicon electroluminescent device production via plasma ion implantation

We discuss the technique of plasma ion implantation (PII) and the type of luminescent centers which can be produced by it. We have focused on high-dose ion implantation into silicon for bandstructure modification. We have produced electroluminescent silicon using a range of plasma ion species including H+, C+, N+ and a range of ion implant conditions. Analyses of the spectra of electroluminescent centers produced by this technique have been performed. Further work will be required to determine the exact physical mechanisms responsible for these effects. Future prospects for electroluminescent devices based on these effects will be discussed. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Hydrogen Isotopic Effects of Uranium Hydrides: First-Principles Calculations

In this paper, we study the ground-state and lattice dynamical properties of β-UH--3 by means of the first-principles density functional theory within the local spin-density approximation (LSDA)+U formulism. The lattice constants and electronic structure are correctly described by taking into account the strong on-site Coulomb repulsion among the 5f electrons localized on uranium atoms. Good agreement with experiments is achieved by tuning the effective Hubbard parameter at around 4 eV. The phonon band structure confirms the dynamical stability of β-UH--3, and the Raman-active modes are consistent with Raman spectrum measurements. The substitution of the deuterium (tritium) atom for hydrogen atom makes significant variations in the typical frequency of Raman-active modes. It is found that the Raman-active mode frequency is approximately inversely proportional to the square root of the hydrogen isotope mass. We conclude that Raman spectrum provides a powerful method for detecting hydrogen isotopic effects.
Folding Dynamics of 10‐Residue β‐Hairpin Peptide Chignolin

: Short peptides that fold into beta-hairpins are ideal model systems for investigating the mechanism of protein folding because their folding process shows dynamics typical of proteins. We performed folding, unfolding, and refolding molecular dynamics simulations (total of 2.7 micros) of the 10-residue beta-hairpin peptide chignolin, which is the smallest beta-hairpin structure known to be stable in solution. Our results revealed the folding mechanism of chignolin, which comprises three steps. First, the folding begins with hydrophobic assembly. It brings the main chain together; subsequently, a nascent turn structure is formed. The second step is the conversion of the nascent turn into a tight turn structure along with interconversion of the hydrophobic packing and interstrand hydrogen bonds. Finally, the formation of the hydrogen-bond network and the complete hydrophobic core as well as the arrangement of side-chain-side-chain interactions occur at approximately the same time. This three-step mechanism appropriately interprets the folding process as involving a combination of previous inconsistent explanations of the folding mechanism of the beta-hairpin, that the first event of the folding is formation of hydrogen bonds and the second is that of the hydrophobic core, or vice versa.
Dehydration of AlPO4-34 studied by variable-temperature NMR, XRD and first-principles calculations

Microporous zeolite-like aluminophosphate AlPO4-34 is a very promising material for water-adsorption-based thermal energy storage. To obtain better understanding of the dehydration of this material, a detailed variable-temperature nuclear magnetic resonance (NMR), X-ray diffraction (XRD), and first-principles calculation study was carried out. Unlike the previous studies, this one detected three distinct phase transitions during dehydration. The fully hydrated phase of AlPO4-34 first loses one water molecule per unit cell and transforms into the partly dehydrated phase I (space group P1). The molecule that was expelled first is the molecule that was initially located within the double six-membered ring and was very weakly coordinated to the aluminium atom and not involved in hydrogen bonds. During the second phase transition a water molecule is expelled from each chabazite cage. The obtained partly dehydrated phase II (space group P) contains six water molecules in each chabazite cage and four water molecules coordinated to octahedral aluminium. The third transition leads to the completely dehydrated material. Structures of both partly dehydrated phases of AlPO4-34 were determined by the Rietveld method. Variable-temperature NMR and XRD detected very different phase-transition temperatures. This was due to very different sample packing, which significantly influenced the rate of water removal. The confirmation that the two techniques observed the same phases of AlPO4-34 was obtained by the first-principles calculations of NMR observables. Using the XRD-based structural models, the calculations predicted 31P and 27Al isotropic chemical shifts that agreed well with the observed ones.
Do Analysts and Investors Efficiently Respond to Managerial Linguistic Complexity on Conference Calls?

This paper examines whether analysts and investors efficiently incorporate the informational signals from managerial linguistic complexity (e.g. Fog) on conference calls into their forecasts and trading decisions. We predict that managerial linguistic complexity provides a signal of the manager’s private information through their willingness to engage with analyst questions. We find that managerial linguistic complexity related to informative technical disclosure provides a positive signal of future earnings growth, whereas obfuscatory linguistic complexity predicts lower future earnings growth. We also find that, as active call participants, analysts efficiently revise their forecasts to incorporate the positive (negative) signal in informative (obfuscatory) Fog. However, as passive participants, investors only correctly interpret the negative signal of obfuscation during the call; we find a delayed price reaction to informative Fog. When we examine calls during which buy-side investors ask questions, we then find a significant contemporary association between stock returns and informative Fog, with no delayed price reaction. This finding underlines the importance of call participation for efficiently incorporating the positive signal of informative linguistic complexity.
Closed-system programmed-temperature pyrolysis on n-octadecane: Implications for the conversion of oil to gas

The aim of this work is to determine the molecular and stable carbon isotope compositions of pyrolysates from normal octadecane and, then, to study methane generation kinetic and carbon isotope fractionation of gaseous hydrocarbons generated from n-octadecane cracking. Pyrolyses were carried out in an anhydrous closed system (gold tubes) under a constant pressure of 50 MPa at heating rates of 20°C/h and 2°C/h. Results show that secondary cracking of pyrolysates from n-octadecane largely contributes to the amount of methane generation, much more than primary cracking of n-octadecane. Cracking and polymerization at relatively low temperatures and disproportionation reactions leading to light hydrocarbons and polyaromatic hydrocarbons at high temperatures are probable causes for the carbon isotope reversal of gaseous hydrocarbons that is commonly observed in pyrolysis experiments. This study of methane generation kinetics suggests that n-alkane hydrocarbon cracking begins to generate methane at 170°C but a great deal would be generated at 200°C in sedimentary basins.
Tuning Manganese Coordination Polymers With Bis(1,2,4-triazol-1-ylmethyl)benzene Position Isomer Ligands and Thiocyanate

The reaction of three position isomer ligands 1,2-, 1,3-, 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene, and Mn(NCS)2 gives three coordination polymers [Mn(obtz)2(NCS)2]n (1), [Mn(mbtz)2(NCS)2]n (2) and {[Mn(bbtz)2(NCS)2]·2DMF}n (3). 1 and 2 comprise similar one-dimensional double chains. In 1, each chain forms π-π stacking interactions with four adjacent chains (two above and two below chains) to extend a three-dimensional supramolecular network. 3 is a neutral two-dimensional (4,4) network. The two-dimensional (4,4) networks parallel stack along the a-axis and forms one-dimensional channels that encapsulate the lattice DMF molecules. The luminescence and thermal stability of 1, 2, and 3 were measured. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.
Radically initiated copolymers of styrene with 4-vinylbenzylamine and its trifluoroacetamide derivative, 2.† Preparation of latex particles bearing amino groups

Polystyrene(PS)-based latex particles bearing amino groups have been prepared using a two-step process consisting of seeded copolymerization of a monomer mixture with styrene (S) and either 4-vinylbenzylamine (VBA) or its trifluoroacetamide derivative (VBAF) in the presence of monodisperse PS latex. Poor colloidal properties and bad chemical stability were found in the case of latexes obtained with VBA. Better results were obtained with VBAF, but conversion was not completed. Surface characterization of the final latexes by 1H NMR, XPS and colorimetric titration offer some insight into the location of the VBAF monomer units within the particles.
Studies on the cumulative effect of sodium thiomersal on broilers vaccinated with inactivated poultry vaccines

Merthiolate (Thiomersal) is known to be used as antimicrobial agent in inactivated vaccines without affecting vaccine potency. The present work investigated the effect of thiomersal contents in ND, AI and IBD inactivated vaccines on liver and kidney functions of vaccinated birds. The histopathological effect and the withdrawal time of such mercurial product from vaccinated chicken muscles were also investigated. Results revealed that residual thiomersal contents in ND, AI and IBD were 0.03; 0.02 and 0.03mg/ml respectively. Liver and kidney function parameters showed significant increases in serum activities of alanine aminotransferase (ALT) and serum aspartate aminotransferase (AST) up to the 4 week post vaccination. Serum urea was significantly decreased on the 3 week in vaccinated birds compared to control ones. Significant increase in serum creatinine in vaccinated chickens was recorded on the 5 week post vaccination. Liver and kidney functions' parameters remain high allover the experimental period (8 weeks). The histopathological examination of liver specimens revealed degeneration of hepatic cells and congestion of the central vein with inflammatory cell infiltration and congestion of blood vessels as well as coagulative necrosis. The spleen of vaccinated chickens showed depletion of lymphocytes while lungs showed thickening of the alveolar. Mercury contents in muscle were 0.72, 0.52; 0.046 and 0.00 mg/kg on the 1, 2, 3 and 4 week post last vaccination that considered safe to the consumer. It is recommended that vaccinated poultry with inactivated vaccines containing thiomersal should not be slaughtered before at least 4 weeks and it is preferable to use combined inactivated vaccines to reduce the thiomersal contents as possible.
DNA ADDUCTS AS A BIOMARKER OF POLLUTION: FIELD STUDY ON THE GENOTOXIC IMPACT EVOLUTION OF THE ERIKA OIL SPILL ON MUSSELS (MYTILUS EDULIS) OVER A PERIOD OF ELEVEN MONTHS

After the Erika oil spill in December 1999, several thousand tons of heavy fuel were released in marine environment and polluted the Atlantic French coast. DNA adducts were used as a biomarker of the Erika genotoxic impact on DNA of mussel digestive gland sampled at 15 locations from Finistère to Vendée county during a period of 11 months after the accident. Mussels collected in the impacted sites in December 1999 and January 2000 showed the highest total DNA adduct level (165 adducts/108 nucleotides). The level decreased dramatically in February 2000 to a stable level through the rest of the year. The site considered as reference zone was also impacted just after the Erika oil spill. The DNA adduct patterns are similar at all locations, indicating a common genotoxic impact along the coast. Two adducts persisted and were used to characterize and follow the Erika genotoxic impact. The analysis revealed that mussels from three sites (respectively Finistére, Loire Atlantique, and Vendée counties) have been highly impacted by the Erika oil spill.
Relationship of soil organic matter characteristics to organic contaminant sequestration and bioavailability

Sorption and desorption equilibria of phenanthrene with respect to three different types of geosorbents were measured, as were the rates of desorption and biological mineralization of this representative hydrophobic organic contaminant. The chemical nature of the organic matter associated with each geosorbent was characterized using solid state {sup 13}C-NMR spectrometry. The results of these studies reveal that both the desorption behavior and the microbial bioavailability of the sorbed contaminant are influenced by the physicochemical character of the organic matter. The more reduced and condensed the organic matter, the greater the extent of sorption-desorption hysteresis, the slower the desorption rate, and the less readily bioavailable the sorbed contaminant. These observations are consistent with projections predicated on a dual reactive domain model introduced earlier to describe the sorption reactivities of different types of soil/sediment organic matter with hydrophobic organic contaminants.
A NEW HYPOTHESIS ON THE HYDRODYNAMIC DISTRIBUTION OF THE UPPER AND LOWER PHASES IN CCC

This paper describes a theoretical explanation of why the lower phase always goes to the tail end of a coil when the tail is placed at the periphery. This effect is due to the Archimedean and Hydrostatic influences working together to pump the lower phase towards the tail and the upper towards the head. A combination of the planetary motion, the geometry of the helical coil, and the movement of the Interface between the phases generate the pumping effect.
EFFECTS OF SULPHIDE OXIDATION ON SELECTED SOIL PROPERTIES

This study covered soils containing sulphides (Potential Acid Sulphate Soils - PASS), located on Karsiborska Kepa Island (NW Poland). The aim was to analyse changes in some soil properties caused by the oxidation of sulphides to sulphates for developing a new methodology. Soil samples taken from one representative pedon were oxidized under laboratory conditions for 8 weeks (incubation method). During this period the concentration of sulphates and pH in the soil extract was measured at multi-day intervals. Soil organic horizons characterized by a relatively high content of total sulphur (> 0.75%) showed no decrease in pH below 4 due to the oxidation. The opposite was observed in the case of sandy horizons, poor in sulphur. The rate of pH decline during incubation was the highest in the initial period of oxidation, which justifies the need to perform some soil analyses in samples of fresh /wet soil within 48 hours of sampling. The results enabled us to propose a procedure for soils containing sulphides, which included both field and laboratory tests, with special care taken to preserve as much as possible the natural reducing environment.
Ion energetics in electron cyclotron resonance discharges

Measurements have been made of ion energies in an electron cyclotron resonance plasma, under conditions typically employed for semiconductor materials processing. Both ion energies along magnetic field lines and ion energy distributions generated by a radio frequency (rf) sheath are characterized. Ion impact energies are found to vary between 10 and 35 eV under the conditions studied, with corresponding distribution widths from 3 to 8 eV. Ion energy distributions through an rf sheath are found to be highly dependent on bias frequency, with narrower distributions occurring at higher frequencies. Consequences of measured ion energies for processing results are discussed.
Ruminal acidosis and the rapid onse t of ruminal parakeratosis in a

A mature dairy cow was transitioned from a high forage (100% forage) to a high-grain (79% grain) diet over seven days. Continuous ruminal pH recordings were utilized to diagnose the severity of ruminal acidosis. Additionally, blood and rumen papillae biopsies were collected to describe the structural and functional adaptations of the rumen epithelium. On the final day of the grain challenge, the daily mean ruminal pH was 5.41 ± 0.09 with a minimum of 4.89 and a maximum of 6.31. Ruminal pH was under 5.0 for 130 minutes (2.17 hours) which is characterized as the acute form of ruminal acidosis in cattle. The grain challenge increased blood beta-hydroxybutyrate by 1.8 times and rumen papillae mRNA expression of 3-hydroxy-3-methylglutaryl-coenzyme A synthase by 1.6 times. Ultrastructural and histological adaptations of the rumen epithelium were imaged by scanning electron and light microscopy. Rumen papillae from the high grain diet displayed extensive sloughing of the stratum corneum and compromised cell adhesion as large gaps were apparent between cells throughout the strata. This case report represents a rare documentation of how the rumen epithelium alters its function and structure during the initial stage of acute acidosis.
The role of user session on the heuristic evaluation

I DEDICATED . III CONTENTS . VI LIST OF TABLES . XIII LIST OF FIGURES . XVII LIST OF APPENDICES . XVIII LIST OF ABBREVIATIONS . XIX
Effect of Squealer Tip on Rotor Heat Transfer and Efficiency

Calculations were performed to simulate the tip flow and heat transfer on the GE-E3 first stage turbine, which represents a modern gas turbine blade geometry. Cases considered were a smooth tip, 2% recess, and 3% recess. In addition a two-dimensional cavity problem was calculated. Good agreement with experimental results was obtained for the cavity calculations, demonstrating that the k-ω turbulence model used is capable of representing flows of the present type. In the rotor calculations, two dominant flow structures were shown to exist within the recess. Also areas of large heat transfer rate were identified on the blade tip and the mechanisms of heat transfer enhancement were discussed. No significant difference in adiabatic efficiency was observed for the three tip treatments investigated.Copyright © 1997 by ASME