Miracle-dz/UniFAR-FTUs huggingface dataset:
Impact of Precursor Chemistry and Process Conditions on the Scalability of ALD HfO2 Gate Dielectrics

The downscaling of high-k/metal gate transistor devices requires thin-film deposition processes that deliver not only an outstanding high-k oxide quality, but also a strict interfacial oxide thickness control in the sub-1 nm thickness range. To study the impact of atomic layer deposition (ALD) process conditions and chemistry on the HfO 2 quality and interfacial oxide thickness, we have used tetrakis[ethylmethylamino]hafnium (TEMAH) as a metal precursor and H 2 O and 0 3 as oxidants. The deposition temperature ranged from 285 up to 365 °C, where TEMAH decomposition plays a role in the growth mechanism. Physical characterization and Pt dot capacitor devices have been used to study the impact of the oxidant and process conditions on the equivalent oxide thickness and gate leakage current of 2-4 nm thin HfO 2 films. By combining X-ray reflectometry and ellipsometry, we evaluated the Si/high-k interfacial oxide layer thickness. Time-of-flight secondary-ion mass spectroscopy was used to determine the C impurity levels. Both the interfacial oxide layer thickness and the C impurity level in the Si/SiO 2 /HfO 2 stacks are strongly dependent on the oxidant. The temperature dependence of the C impurity level is opposite for O 3 and H 2 O. Furthermore, SiO 2 regrowth was found for the 0 3 process.
The structure and electronic properties of silicon oxynitride gate dielectrics

Despite considerable progress achieved over the past few years in understanding ultrathin oxynitrides, several fundamental questions, in particular, the oxynitridation mechanism and the mechanisms behind the beneficial role of nitrogen are still not well understood. To improve understanding of the explanations which have been proposed for the phenomena specific to silicon oxynitride and for the nature of the defects, a study of the electron structure of a MOS system using silicon oxynitrides as the gate oxide and based on a molecular dynamics geometry optimization method, was carried out. Investigations of the band energy parameters versus the SiON film thickness and oxygen to nitrogen ratio were done theoretically as well as experimentally. Theoretical calculations were done by norm-conserving non-local pseudopotentials together with molecular dynamics geometry optimization. Experimental investigations included spectroscopic investigations of the film absorption. Both theoretical and experimental data indicate that the effective band energy gap possess modulated-like dependence versus the film thickness and oxygen/nitrogen ratio. The origin of the observed phenomenon is caused by specific electron-phonon anharmonic interactions between the film and the Si substrate.
Reduction of Plasticizer Leaching from PVC by Barrier Coatings Deposited Using DBD Processes at Atmospheric Pressure

Barrier coatings against plasticizer leaching are deposited on flexible polyvinylchloride (PVC) films typically used in flooring or in the automotive industry. Octamethylcyclotetrasiloxane (OMCTS) and hexamethyldisiloxane (HMDSO) are plasma polymerized using plasma-activated CVD (PA-CVD) based on an atmospheric pressure (AP) dielectric barrier discharge (DBD). A reduction in plasticizer leaching higher than 80% is achieved with these coatings. The effect of the monomer flow rate, discharge power, and oxygen flow rate on the barrier efficiency is investigated. The coating composition of the best barrier coating has been identified and the long-time barrier efficiency in contact with an organic solvent has been studied.
Path integral approach to electrostatic problems

A theory that is able to account for electrostatic effects in microscopic situations is formulated in terms of the path integral method. The theory relates the solution of the Poisson equation to the propagator of the diffusion equation. Applications are made to some typical problems of interest, such as the solvation energy of an ion in a solution and to the electrical properties of a diffuse surface.
Ionic Liquid Assisted Solvothermal Synthesis of Cu Polyhedron-Pattern Nanostructures and Their Application as Enhanced Nanoelectrocatalysts for Glucose Detection

Cu polyhedron-pattern nanostructures have been successfully synthesized in the presence of the ionic liquid (IL) 1-hexadecyl-3-methylimidazolium bromide ([C16mim]Br) under solvothermal conditions. The as-prepared samples were characterized by X-ray diffraction (XRD), high-resolution transmission electron microscopy (HRTEM), Fourier transform infrared (FTIR) spectroscopy and diffuse reflectance spectroscopy (DRS). During the reaction process, the ionic liquid played an important role in controlling the morphology and size of the Cu polyhedron-pattern nanostructures. The results of FTIR spectroscopic analysis indicated that there was the ionic liquid [C16mim]Br on the surface of the Cu polyhedron-pattern nanostructures. Cu polyhedron-pattern nanostructures exhibited better thermal stability in air than Cu samples synthesized without ionic liquid at room temperature. In addition, the electrocatalytic activity of the Cu-modified electrodes towards glucose oxidation was investigated by cyclic voltammetry. The results clearly demonstrated that the unique morphology and small size of the Cu polyhedron-pattern nanostructures made them suitable for application as non-enzymatic glucose sensors. Simultaneously, the [C16mim]Br ionic liquid on the surface of the Cu polyhedron-pattern nanostructures had a significant impact on the electrocatalytic activity of Cu polyhedron-pattern nanostructures. Thus, electrodes modified with these Cu polyhedron-pattern nanostructures are promising for the future development of non-enzymatic glucose sensors.
The effect of nitrogen and the method of application on nitrogen uptake of cauliflower and on nitrogen in crop residues and soil at harvest

The effects of the method and rate of nitrogen application on the efficiency of nitrogen utilization by cauliflower were studied during 2 seasons and at 4 locations. Maximum nitrogen uptake by the crop was ~310 kg/ha. Uptake of nitrogen was influenced neither by the method of application (band placement vs. broadcast) nor by splitting the applications (twice vs. once). The utilization efficiency decreased with increasing nitrogen rates. Independent of the amount of nitrogen applied, ~50% of the nitrogen taken up in the above-ground plant parts was removed from the field with the product. The amount of soil mineral nitrogen at harvest increased with an increase in nitrogen applied, but was not significantly influenced by band placement. With broadcast application, more nitrogen was sometimes found between the rows as compared to in the row. With band placement at the highest fertilizer rate, considerably more nitrogen was found where the fertilizer had been placed. The 'loss' of nitrogen from the crop/soil system during cultivation increased with increased availability of nitrogen. At the optimum application of nitrogen fertilizer ~100-120 kg/ha of nitrogen remained in crop residues and ~50-80 kg/ha in the soil (0-60 cm). Practical implications for the reduction of loss of nitrogen from crop and soil after harvest are discussed.
Case report: Sacral agenesis in two boxer dogs: clinical presentation, diagnostic investigations, and outcome

Two boxer dogs from the same litter were presented at 3 months of age for urinary and fecal incontinence. Both dogs had an abnormal tail consisting of a small stump, an atonic anal sphincter, and absent perineal reflex and sensation. Neurological evaluation was indicative of a lesion of the cauda equina or sacral spinal cord. Radiology and CT scan of the spine displayed similar findings in the two dogs that were indicative of sacral agenesis. Indeed, they had 6 lumbar vertebrae followed by a lumbosacral transitional vertebra, lacking a complete spinous process, and a hypoplastic vertebra carrying 2 hypoplastic sacral transverse processes as the only remnant of the sacral bone. Caudal vertebrae were absent in one of the dogs. On MRI, one dog had a dural sac occupying the entire spinal canal and ending in a subfascial fat structure. In the other dog, the dural sac finished in an extracanalar, subfascial, well-defined cystic structure, communicating with the subarachnoid space, and consistent with a meningocele. Sacral agenesis—that is the partial or complete absence of the sacral bones—is a neural tube defect occasionally reported in humans with spina bifida occulta. Sacral agenesis has been described in human and veterinary medicine in association with conditions such as caudal regression syndrome, perosomus elumbis, and Currarino syndrome. These neural tube defects are caused by genetic and/or environmental factors. Despite thorough genetic investigation, no candidate variants in genes with known functional impact on bone development or sacral development could be found in the affected dogs. To the best of the authors' knowledge, this is the first report describing similar sacral agenesis in two related boxer dogs.
Semi-empirical correlations between so-called mobilizable and mobile concentrations of heavy metals in soils

Abstract In order to explain phenomenological relations between routinely determined global soil parameters such as so called mobilizable (M) and total mobile (m) or free (s) heavy metal concentrations a simple working model is proposed. The following linear relations derived from this model are verified using data available in the literature. For cadmium (Cd), copper (Cu), nickel (Ni), lead (Pb), zinc (Zn): ps = x pH + x log CEC + pKs ‐ log (M ‐ m); for Cd, Ni, Pb, Zn: log [(M/m) ‐ 1 ] = x pH + x log CEC ‐ log Ks; and for Cu: log [(M/m) ‐ 1] = x log CEC ‐ log Ks KML (KLH)X; where K are conditional equilibrium constants and [(M/m) ‐ 1] is the apparent distribution coefficient between solid and solution.
A new combinational statistical approach for cellulase optimization in Aspergillus nidulans

The enhancement of the cellulase activity of Aspergillus nidulans by combinational optimization technique was investigated. The strain isolated from decayed, dry leaf of Ficus caricus was compared for the first time for its ability to produce cellulolytic enzyme in submerged fermentation (SmF). The medium ingredients enhancing the cellulase production were optimized by combinational statistical approach by one factor at a time methodology (OFAT), Plackett Burmann methodology (PB) and response surface methodology (RSM). A four-factor-five-level central composite design (CCD) was employed to determine the maximum activity of cellulase at optimum levels of carboxy methyl cellulose (CMC), ammonium nitrate and potassium dihydrogen phosphate at varying pH values. The optimum fermentation parameters were found to be 1.2 g/l CMC, 0.9 mg/l ammonium nitrate and 0.75 mg/l potassium dihydrogen phosphate at pH 6. The optimization of medium by combinational statistical approach led to the fine tuning of the cellulase production thereby enhancing the cellulase activity from 4.91 U/ml to 39.56 U/ml. The predicted results were in agreement with the actual experimental values. The cellulase activity obtained with this strain may be one of the best obtained in Aspergillus nidulans .
Poly(ethylene oxide)-b-poly(ethylene imine) Dodecanoate Complexes: Lamellar-within-lamellar Morphologies and Nanoparticles

The complexes formed between poly(ethylene oxide)-b-poly(ethylene imine)s and dodecanoic acid were studied in the solid state and as nanoparticles. The poly(ethylene imine) blocks had different architectures, cyclic, linear, and branched, while the poly(ethylene oxide) blocks were held constant. Self-organized lamellar-within-lamellar structures were obtained with two different length scales, which are, for example, 15 and 3 nm. Small-angle X-ray scattering methods were used to quantify the morphological differences between noncomplexed and complexed diblock copolymers. Core−shell nanoparticles were prepared from the complexes in aqueous solution with sizes around 200 nm. Their cores are formed by poly(ethylene imine) dodecanoate while their shells consist of poly(ethylene oxide). It was found that the shapes of the nanoparticles depend on the PEI block. They are, for example, prolate if the PEI is linear and spherical if the PEI is branched. The nanoparticles are block ionomer complexes and supposed to b.
Drift velocity of electrons and ions in dry and humid air and in water vapour

The avalanche current resulting from the release of a short (30 nsec) pulse of photoelectrons (5 × 104) at the cathode of a uniform field gap (5 cm) is observed experimentally. By this technique the drift velocities of electrons (v-) and of positive ions (v+) are measured. In dry air in the range E/p = 50-100 v cm-1 torr-1 at temperature 20 °c, v- = 256 × 103 E/p + 5 × 106 and in water vapour in the range E/p = 55-85 v cm-1 torr-1 at 20 °c, v- = 255 × 103 E/p + 8.9 × 106, with units cm sec-1 and v cm-1 torr-1. The values of v- obtained for dry air fit the values calculated by Heylen and are higher than those measured with the magnetic-deflection method by Townsend and Tizard. The mobility of positive ions in dry air, which is constant in the range E/p = 45-70 v cm-1 torr-1 and is equal to 2.2 × 103 cm2 v-1 sec-1 (at 1 torr and at 20 °c), gradually decreases at higher E/p values. In water vapour the mobility of positive ions was constant over the measured range E/p = 50-90 v cm-1 torr-1 and is equal to 0.61 × 103 cm2 v-1 sec-1 (at 20 °c and at 1 torr). In humid air the value of mobility is lower than the value calculated from Blanc's law. This suggests a clustering of ions.
High figure of merit in nanostructured n-type KPbmSbTe m+2 thermoelectric materials

We demonstrate that the KPbmSbTe2+m system (PLAT-m for tellurium, antimony, lead potassium, m = 19−21) of materials exhibits high thermoelectric performance. Samples with compositions K1−xPbm+δSb1+γTem+2 were prepared using several combinations of x, δ, γ and m and their thermoelectric properties were investigated in the temperature range of 300 − 800 K. All K1−xPbm+δSb1+γTem+2 samples exhibited n-type conduction over the measured temperature range. Their lattice thermal conductivities were found to be significantly reduced when compared to PbTe and even AgPbmSbTem+2. For example, for K0.95Pb20Sb1. 2Te22 a lattice thermal conductivity as low as 0.4 W/(m·K) was estimated at 650 K (based on a Lorenz number of 1.25 × 10−8 W·Ω/K2). High resolution transmission electron microscopy on several samples revealed a widely dispersed nanoscale particle with varying size and shape endotaxially embedded inside a PbTe-rich matrix which is believed to be responsible for the reduced lattice thermal conductivity of K1−xPbm+.
Non-radiative deactivation of the excited states of europium, terbium and ytterbium complexes by proximate energy-matched OH, NH and CH oscillators: an improved luminescence method for establishing solution hydration states

The radiative rate constants for depopulation of the excited states of closely-related series of anionic, neutral and cationic europium, terbium and ytterbium complexes have been measured in H2O and D2O. With the aid of selective ligand deuteriation, the relative contributions of OH, NH (both amide and amine) and CH oscillators have been measured and critically assessed. Quenching of the Eu 5D0 excited state by amine NH oscillators is more than twice as efficient as OH quenching. The importance of the distance between the excited Ln ion and the XH oscillator is described with recourse to published crystallographic information. The general equation, q = A′(ΔkH2O–kD2O)corr is presented and revised values of A′ for Eu (1.2 ms), Tb (5 ms) and Yb (1 µs) given, which allow for the quenching contribution of closely diffusing OH oscillators. The relevance of such studies to the hydration state of certain gadolinium complexes is described and clear evidence provided for a break in hydration at gadolinium.
Terpenoids and Flavones from Achillea falcata (Asteraceae)

Resumen en: Aerial parts of Achillea falcata L. furnished the monoterpenes 3,7-dihydroxy-3,7-dimethyl-1,5-octadiene and 3,6-dihydroxy- 3,7-dimethyl-1,7-octadiene, .
The role of buffer layers in polymer solar cells

The present review rationalizes the information spread in the literature concerning the use and role of buffer layers in polymer solar cells. Usual device structures include buffer layers, both at the anode and at the cathode interface, mainly to favour charge collection and extraction, but also to improve the device’s overall performance. Buffer layers are actually essential for achieving highly efficient polymer solar cells and can no more be considered as “optional”, thus the need and importance of understanding their properties and role. The aim of this review is to give the reader an overview of this topic and to provide a practical and useful tool for the daily activities of researchers in the field of polymer photovoltaics.
Xanthohumol, a New Natural Chalkone

Xanthohumol is a yellow leaf pigment, present in all hop varieties. It is a chalkone and isomerizes into a flavanone on alkaline treatment. Xanthohumol has the molecular formula C21H22O3 contains three active hydrogen atoms, one methoxylgroup, one carbonylgroup and two double bonds. Alkaline hydrolysis of xanthohumol yields p. oxybenzaldehyde, acetic acid and methoxy-isoprenylphloroglucinol. Xanthohumol is represented by structure IV.
Selective adsorption of carbon dioxide by carbonized porous aromatic framework (PAF)

A series of carbonized PAF-1s were obtained with enhanced gas storage capacities and isosteric heats of adsorption (Qst for short). Especially, PAF-1-450 can adsorb 4.5 mmol g−1 CO2 at 273 K and 1 bar. Moreover, it also exhibits excellent selectivity over other gases. On the basis of single component isotherm data, the dual-site Langmuir–Freundlich adsorption model-based ideal adsorption solution theory (IAST) prediction indicates that the CO2/N2 adsorption selectivity is as high as 209 at a 15/85 CO2/N2 ratio. Also, the CO2/CH4 adsorption selectivity is in the range of 7.8–9.8 at a 15/85 CO2/CH4 ratio at 0 < p < 40 bar, which is highly desirable for landfill gas separation. The calculated CO2/H2 adsorption selectivity is about 392 at 273 K and 1 bar for 20/80 CO2/H2 mixture. Besides, these carbonized PAF-1s possess excellent physicochemical stability. Practical applications in capture of CO2 lie well within the realm of possibility.
Thermodynamic Properties of Vapor Complex Na2HfCl6

Thermodynamic studies were carried out for the vapor complex of sodium chloride with hafnium tetrachloride at 712-778 K and 0.5-3.1 kPa by using high temperature phase equilibrium-quenching experiments, with closed Pyrex glass ampoules as the reaction containers. The results show that the sole predominant vapor complex is Na2HfCl6 for the HfCl4-NaCl system under the experimental conditions. The thermodynamic equilibrium constants and other thermodynamic functions of the reaction 2NaCl(s)+HfCl4(g)=Na2HfCl6(g) have been derived from the measurements. The results for the changes in enthalpy and entropy are -65.51. 5 kJ/mol and 99.62. 0 J/(mol K) in the temperature range.
A proactive market orientation for the postgraduate programs

The present study aims to help universities to develop a proactive market orientation as the precedent for a successful innovation policy for their postgraduate programs through a deep review of the concepts of “proactive market orientation” of the postgraduate market and its relative “postgraduate decision-making process”. This ‘decision-making process model’ will be the perfect framework which will facilitate different reflections about customers (adult students), companies (employers) and universities and all their possible interactions which can exist under a “proactive market orientation” and the consequent strategies for a successful innovation policy. Therefore, this research makes a significant contribution to the body of knowledge in this impor tant area of market orientation as a precedent for innovation for educational institutions This proactive market research philosophy can assist the University, administrators, managers and recruiters in adapting their marketing strategies and their related innovation policy in order to differentiate from the competition in a complex sector like the postgraduate education one. Keywords : proactive market orientation, innovation, postgraduate, masters programs.
On the Problems of CD Spectropolarimeters. II: Artifacts in CD Spectrometers

The Mueller matrix approach is used to investigate the artifacts resulting from the coupling of anisotropic samples and imperfect hardwares of commercially available CD spectropolarimeters. On the basis of the results obtained, attention is called to the instrumental limitation of CD spectropolarimeters in the study of CD phenomena of systems with macroscopic anisotropy. Furthermore, strong doubts are presented about what is called an induced CD spectrum observed in an achiral anisotropic medium.
Desreguladores endócrinos no meio ambiente: efeitos e conseqüências

There is an increasing interest in micropollutants in the environment that can interfere with the endocrine system, affecting health, growth and reproduction of animals and humans. These substances are known as Endocrine Disrupting Chemicals (EDCs) and can be found in domestic sewage, domestic wastewater treatment plant effluents, and in natural and potable waters. There are numerous chemicals classified as EDCs, such as pesticides, chemicals used and produced by chemical industries and natural and synthetic estrogens. EDCs can be related to the increase of the incidence of anomalies in the reproductive system of animals, cancer in humans and reduction of the masculine fertility.
Effects of Increased High Molecular Weight Glutenin Subunits Content of Flour on Dough Mixing Behavior and Breadmaking

The level of high molecular weight glutenin subunits (HMW-GS) in Soissons flour was increased with isolated Soissons HMW-GS (1.0−4.0 mg/g of flour) by either simple addition or using a previously developed method (Bekes et al. Cereal Chem. 1994, 71, 44−50) for incorporation of monomeric glutenin subunits into flour endogenous glutenin polymers. It was demonstrated that the incorporation method, originally developed for Mixograph tests, is equally well-suitable for straight dough breadmaking tests, allowing direct extension of the effect of incorporated glutenin subunits on dough Mixograph mixing properties to their effect on loaf volume. Although the expected dough strengthening effect (increased mixing requirement and tolerance to overmixing) upon incorporation of HMW-GS was indeed clear from the Mixograms, the improved dough properties did not lead to higher loaf volumes. Furthermore, simple addition of unalkylated HMW-GS also strengthened the dough. On the other hand, alkylated Soissons HMW-GS did not .
Three-Dimensional Models of ACE and NEP Inhibitors and Their Use in the Design of Potent Dual ACE/NEP Inhibitors

A composite template for angiotensin converting enzyme (ACE, EC 3.4.15.1) inhibitors and a hypothetical model of the active site of neutral endopeptidase (NEP, EC 3.4.24.11) have been constructed and used to guide the design of dual ACE/NEP inhibitors. For the ACE template, a new computer program was used to flexibly superimpose potent, conformationally restricted ACE inhibitors. This program, which only considers the structures of the ligands, generated three possible templates. It was possible to evaluate the plausibility of these templates because new X-ray data is extending our knowledge of the binding of ligands to zinc metalloproteases. We have found that the available X-ray structures of inhibitors complexed to different zinc metalloproteases share certain conformational features. In each complex, the regions between the catalytic zinc and the P1‘ side chain were found to have almost the same geometry. This geometry appears to be dictated by the mechanism of catalysis. Only one of the templates dis.