Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of solvents and stabilizers on sol–gel deposition of Ga-doped zinc oxide TCO films

Gallium-doped zinc oxide spin-coated thin films have been prepared by the sol–gel method. The influence of two solvents, isopropanol and 2-methoxyethanol (2-ME), and two chelating agents, monoethanolamine (MEA) and diethanolamine (DEA), was investigated. X-ray diffraction shows preferential (002) c -axis orientation of the crystallites influenced by the doping content and starting solution composition. Better orientation was obtained with 2-ME as a solvent because of a slower evaporation rate during the spin coating. Better orientation was also obtained using MEA as a stabilizer due to the weaker bonds formed with the Zn^2+ ions. Typical film thickness was 550 nm. The transparency of the films was greater than 85% in the entire visible range. A sheet resistance of 68 Ω/□ was obtained for the ZnO film doped with 2 at. % of Ga using 2-ME and MEA as a solvent and stabilizer, respectively. The results show that the denser packing created using a high boiling temperature solvent and a low organic content stabilizer improved the layer’s electrical and optical properties.
Unexpected Improved Performance of ALD Coated LiCoO2/Graphite Li‐Ion Batteries

The performance of Al2O3 atomic layer deposition (ALD) coatings for LiCoO2/natural graphite (LCO/NG) batteries is investigated, where various permutations of the electrodes are coated in a full battery. Coating both electrodes with ∼1 nm of alumina as well as coating only the LCO (positive electrode) enables improved performance when cycling at high voltage, where the LCO is known to degrade. However, we found that coating only the NG (negative electrode) also improves the performance of the whole battery when cycling at high voltage. Under these conditions, the uncoated LCO (positive electrode) should degrade quickly, and the NG should be unaffected. A variety of characterization techniques show the surface reactions that occur on the negative electrode and positive electrode are related, resulting in the enhanced performance of the uncoated LCO.
Effects of elevated atmospheric carbon dioxide concentration on growth and physiology of Sitka spruce (Picea sitchensis (Bong.) Carr.)

Burning of fossil fuels and land use change is causing in an increase in the global atmospheric CO2 concentration, [CO2], which is predicted to double by the end of the next century. CO2 is the main substrate for photosynthesis in terrestrial plants and since the current atmospheric {CO2] limits photosynthesis in C3 plants there has been much research into the impact of rising {CO2] on growth and physiology of vegetation. However there are still many unanswered questions especially regarding the effects of long-term exposure to elevated [CO2] and the interactions between [CO2] and other variables, such as nutrients and water. These questions are especially relevant to trees and forests, since trees live for tens to hundreds of years and forests are typically nutrient limited. Moreover, forests play an important role in the global carbon cycle and a change in the way forests absorb or release CO2 has implications for atmospheric [CO2]. The aim of this thesis is to investigate the effects of elevated atmospheric carbon dioxide concentrations on the growth and physiology of Sitka spruce. Two experimental approaches were used; firstly the long term effect on mature tissue using branch bags and secondly the interaction between [CO2] and nutrient supply rate on the growth and physiology of seedling trees was studied. Six branches on six 16 year-old Sitka spruce trees were continuously exposed to elevated [CO2] (-700 imol moF') for four years. Branch growth, shoot numbers, needle size, stomatal density, nutrient and carbohydrate concentration, photosynthesis and stomatal conductance were measured through the experiment. There was no effect of elevated [CO2] on the growth of the branches or needles, or on the nutrient or carbohydrate concentrations of needles. Neither was there evidence for an acclimation of photosynthesis or stomatal conductance to growth in elevated [CO21 in current year needles. However, there was some down-regulation of photosynthesis in one-year-old needles coincident with an increase in soluble carbohydrate concentration. In a second experiment one-year-old seedlings were re-potted into sand and grown for eight months in open-top chambers in either ambient or -700 Mmol moF' [CO2]. They were supplied with nutrients at two rates: a high rate designed to permit maximum growth rate and a low rate 1/10 the high rate. Growth was measured each week and six harvests were made during the experiment. A purpose built whole-tree
Influence of Au thickness on the performance of plasmonic enhanced hematite photoanodes

The surface plasmon effect of Au nanostructures placed on the surface of hematite has recently been used to enhance light absorption within its carrier collection distance of 10 nm from the water–hematite interface. Despite significant narrow band absorption enhancements in the visible region, the reported enhancements in the overall performance of the cell under standard AM1.5 sunlight illumination are not significant. We numerically design an array of Au stripes on the surface of an extremely thin layer of hematite to maximize the number of charge carriers that can reach the hematite–water interface and explore the optical processes involved. The lateral dimensions and in particular the thickness of the Au stripes turn out to be influential parameters for the overall enhancement that Au stripes provide. In general, the thickness of Au stripes for the optimized structure needs to be larger than 100 nm to obtain overall enhancements higher than 25% at incidence angles of up to 40°. The optimized structure is robust against edge bluntness, which is usually an artefact of the fabrication process. However, the presence of a 5 nm SiO2 insulating layer decreases the enhancement of the optimized configuration to 16%. These insights give important clues to design efficient plasmonic enhanced light harvesting structures for extremely thin layers of hematite.
Cyclopiamines A and B, novel oxindole metabolites of Penicillium cyclopium westling

The isolation of two new oxindole alkaloids, cyclopiamine A and B, from Penicillium cyclopium is described. The chemical and spectral properties of cyclopiamine B are interpreted in terms of the constitution and relative stereochemistry (2a) of the compound as determined by X-ray structure analysis. The enantiomeric relationship between cyclopiamine A(1) and B(2a) at C(22) is established on the basis of chemical studies.
Chromic acid oxidation of aromatic alcohols

The mechanism of the chromic acid oxidation of di- and tri-aryl carbinols has been studied in 80 wt% acetic acid containing sulfuric acid. The reactions are cleanly second-order and give benzophenones in the case of the secondary alcohols and benzophenones plus phenols in the case of the tertiary alcohols. Electron-donating substituents in the tertiary alcohol appear predominantly in the phenol component and the rate-controlling step is believed to be a 1,2-aryl shift. The reaction constant for the migration is ρ+ = −1.44 and that for the overall reaction is ρ+ = −0.879. The presence of manganous ions does not alter these values although it lowers the overall rate of reaction. Although an analogous 1,2-hydride shift mechanism can be written for the oxidation of the secondary alcohols, there are enough points of difference between the oxidations of the secondary and tertiary systems to make this appear unlikely.
LEAD-BASED FERROELECTRIC COMPOUNDS: INSULATORS OR SEMICONDUCTORS?

ABSTRACT Lead zirconate-titanate (PZT) epitaxial thin films are considered wide-gap p-type semiconductors with standard Schottky contacts. Capacitance-voltage, current-voltage, as well as the dielectric hysteresis are analyzed using a model based on the conventional metal-semiconductor Schottky contact in which the effect of the ferroelectric polarization on band-bending was considered. In addition, presence of the deep traps and its effect on the measured quantities were considered and discussed. For a single-crystal like PZT films with a remnant polarization of 40 μC/cm2 the free carrier concentration is estimated to about 3× 1018 cm−3, whereas the effective density of the fixed charges in the depletion region is of about 1.8 × 1019 cm−3.
Morphological and Optical Characteristics of Y2O3:Eu Phosphor Particles Prepared by Flame Spray Pyrolysis

Y2O3:Eu phosphor particles were prepared by flame spray pyrolysis and compared with the particles prepared by general spray pyrolysis. The particles prepared by flame spray pyrolysis had a spherical and dense morphology and were finer than the particles prepared by general spray pyrolysis. Flame temperature was an important factor in the preparation of the phosphor particles by flame spray pyrolysis. To obtain Y2O3:Eu particles with a uniformly dense structure, a sufficiently high temperature to form monoclinic phase was required. Too low flame temperature generated nonspherical and hollow particles with cubic phase because the particles did not melt completely, and too high flame temperature of flame generated many nanoparticles due to evaporation. After stepwise post-treatment of as-prepared particles with monoclinic phase and the dense structure, Y2O3:Eu phosphor particles with high brightness and cubic phase were obtained. The Y2O3:Eu phosphor particles prepared by flame spray pyrolysis showed 120% photoluminescence intensity in comparison with the particles prepared by general spray pyrolysis.
Measurements of desorbed products by plasma beam irradiation on SiO2

A plasma beam irradiation apparatus with a controllable plasma source was constructed to investigate the plasma-surface interactions for reactive etching processes. The apparatus can control the plasma parameters, such as ion energy, radical∕ion composition, and the ratio of neutral to ion flux. The desorbed products of SiFx (x=1–3) were observed separately from COFx (x=1–3) by using a C13F4–Ar gas mixture plasma beam. The major desorbed product was not SiF4. Unsaturated fluorinated silicons [SiFx(x=1–3)] were major desorbed products under ion-rich fluorocarbon plasma etching condition. It was found that the composition of silicon containing desorbed products does not depend on the incident ion energy in the ion energy range of 300–700eV.
An Efficient Synthesis of 1,5-Thiadiazepines and 1,5-Benzodiazepines by Microwave-Assisted Heterocyclization

A novel and efficient method for the synthesis of substituted thiazepines and diazepines has been developed. A simple one-pot reaction of chalcones 1a–f with 1-amino-2-mercapto-5-phenyl-1,3,4-triazole and o-phenylenediamine in the presence of a catalytic amount of sodium acetate under microwave irradiation gave 2-(3,8-diphenyl-7,8-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-yl)phenoles 2a–f and 2-(2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)phenoles 3a–f, respectively. The structure of all the synthesized compounds was elucidated on the basis of elemental analysis, IR, 1H and 13C NMR, and mass spectral data.
Theory of activated rate processes: A new derivation of Kramers’ expression

The generalized Langevin equation of motion for a particle trapped in a one‐dimensional well with a barrier height V0 and coupled to a dissipative medium is modeled by a harmonic bath. Using the properties of the bath and a normal mode analysis we prove that the reactive frequency defined by Grote and Hynes for averaged motion across the barrier is actually a renormalized effective barrier frequency. We then show that the Kramers–Grote–Hynes expression for the rate of escape over the barrier is just the continuum limit of the usual gas phase harmonic transition state theory expression.
Hygiene of Gasket Materials Used in Food Processing Equipment Part 2: Aged Materials

The effects of age and repeated cleaning-in-place (CIP) cycles on the hygienic properties of gasket materials used in the food industry were studied. The materials included in the study were EPDM (ethylene propylene diene monomer rubber), NBR (nitrile butyl rubber, also known as Buna-N), PTFE (polytetrafluoroethylene) and Viton (fluoroelastomer). The materials were exposed to prolonged alkali-acid treatments simulating repeated CIP cycles. In addition, materials aged in industrial dairy or brewing processes were examined. Mixed cultures of Bacillus thuringiensis and Pseudomonas fragi or Pantoea agglomerans and Pediococcus inopinatus were used as test organisms and the CIP was performed in an experimental test rig. The susceptibility to biofilm formation and the cleanability in CIP were assessed by the plate count method, epifluorescence microscopy, impedimetry and ATP bioluminescence measurements. Physical deterioration was observed both on experimentally aged materials and on materials aged in industrial processes, causing reduced cleanability. PTFE was most resistant to alkali-acid treatments and repeated CIP cycles. The hygienic properties of EPDM, NBR and Viton degenerated in repeated CIP cycles. The methods used for assessing cleanability are discussed.
Blending of low-density polyethylene with vanillin for improved barrier and aroma-releasing properties in food packaging

Modification of low-density polyethylene (LDPE) with vanillin to obtain flavored packaging film with improved gas barrier and flavor-releasing properties has been studied. The modification of LDPE with vanillin was monitored by Fourier transform infrared spectroscopy, wherein the appearance of new peaks at 1704.7, 1673.6, and 1597.2 cm�1 indicates the incorporation of vanillin into LDPE matrix. Films of uniform thickness were obtained by the extrusion of modified LDPE. Modified LDPE was found to have significantly higher gas barrier properties and grease resistance. Sensory quality of food products viz, doodhpeda (milk-based solid soft sweet), biscuit, and skimmed milk powder packed in LDPE-vanillin film showed that the doodhpeda sample had clearly perceptible vanilla aroma, whereas biscuit had marginal aroma and skimmed milk powder did not have noticeable aroma. When viewed in the light of imparting desirable vanilla aroma, results of the study indicated that LDPE-vanillin film has better prospects as a packaging material for solid sweets with considerable fat content when stored under ambient conditions. The release of vanilla aroma was further confirmed by gas chromatography– mass spectrometery analysis
Silvering of inert polyethylene terephthalate textile materials: The factors of adjustment on silver release, part II

The aim of this research is to develop a textile product to prevent and eliminate biological contaminations in drinking water and other liquid-leading systems. Herein, the adjustment of the silver release from silvered textile materials with the retention of the antibactericidal qualities has been studied. The limited values for silver in drinking water in Germany (100 µg/l) must be considered as well. Moreover, the factors of the adjustment of the silver release, such as the concentration of the silver on the one hand and the reduction agent, the silvering process, the thermal fixation time and temperature, the size of the silver particles, and the thickness of the silver layer on the surface of textile materials for the silvering on the other hand have been systematically examined by using polyethylene terephthalate (PET) materials as a basis. Silver concentration in the elution has been detected by means of atom absorption spectroscopy (ZEEnit 700, Analytics Jena, Germany). The amount of silver taken up by PET was weighed after was under a constant heat of 900°C for 4 h.
A novel hexakis(tetrathiafulvalene) derivative: synthesis, structure and electrochemical properties

The hexakis(TTF) derivative 3 has been synthesised in 89% yield by six-fold reaction of the thiolate anion of reagent 2 with hexakis(bromomethyl)benzene: the solution electrochemistry of 3 shows sequential formation of the hexa- (radical cation) and the dodecacation species, and spectroelectrochemistry shows interacting radical cations; the X-ray crystal structure of 3 is reported.
Mixed lubrication — an overview

The regime known as ‘mixed’ lubrication lies between those of hydrodynamic and elastohydrodynamic. This paper reviews work on this subject, in order to recognise the key areas of progress, and of ignorance. Film thickness and surface roughness are discussed, to conclude that below certain values of λ, there are limitations to earlier models. Computational solution of the micro‐EHD problem has largely succeeded, as well as more analytical approaches. The mixed lubrication regime has been studied by electrical contact resistance, friction measurement, and, more recently, analysis has been aided by optical interferometry — the implications of this work, and future prospects, are addressed.
PULMONARY PROINFLAMMATORY GENE INDUCTION FOLLOWING ACUTE EXPOSURE TO RESIDUAL OIL FLY ASH: ROLES OF PARTICLE-ASSOCIATED METALS

Residual oil fly ash (ROFA), an emission source particulate, has been shown to induce acute lung injury and fibrosis in the rat. However, the mechanism(s) and the identities of various inflammatory mediators induced by ROFA are not known. Also the extent to which ROFA-associated metals contribute to proinflammatory gene induction is yet to be determined. To examine the mechanism of ROFA-induced lung injury, male SpragueDawley rats (60 days old) were intratracheally instilled with 0.3 ml of either acidified saline (brought to pH 2.5 using H2 SO4, similar to the pH of the ROFA suspension in saline), ROFA (2.5 mg/rat in saline, yields pH of 2.5), or predominant ROFA-associated metals such as Fe2 (SO4)3 (Fe, 0.54 mol/rat), VSO4 (V, 1.7 mol/rat), and NiSO4 (Ni, 1.0 mol/rat), individually or as a mixture (Fe + V + Ni). The quantity of metals instilled reflected the amount present in the leachable material of ROFA. Histopathological findings indicated marked and progressive acute focal lung injury characterized .
Structural Studies of the Metal-Nonmetal Transition in Ru Pyrochlores

Abstract A combination of powder neutron and X-ray diffraction measurements were carried out in the pyrochlore type oxides Bi 2− x Nd x Ru 2 O 7− y , 0 x x x >0.75. The relative small change in the cubic lattice parameter across the series (0.4%) provides clear evidence that the lengthening of the Ru–O bond lengths in the nonmetallic oxides and the contraction of the Ru–O–Ru angle is a result of the change in the electronic properties of the oxides. The studies also illustrate the importance of oxide vacancies for metallic conductivity in these oxides. Metallic conductivity occurs in oxides where the Ru–O–Ru angle is greater than 132.5° and there is a measurable oxygen nonstoichiometry.
Biodegradation paths of Mater‐Bi®/kenaf biodegradable composites

Composites obtained from biodegradable polymers and natural–organic fillers are attracting increasing interest, thanks to the environmental advantages they promise. On the other hand, the real biodegradation performance of a biodegradable polymer/natural organic filler composite should be assessed by performing specific biodegradation tests. These are often carried out under laboratory conditions, but more realistic conditions should be taken into account. In this work, a systematic study on the biodegradation of kenaf fiber-filled Mater-Bi® composites in different environments is presented, and some interesting parameters for the understanding of the optimum way to obtain a fast degradation of the composites can be extrapolated. In particular, it was found that the presence of the fibers, the environmental conditions, and the manufacturing procedures of the composites can significantly affect the biodegradation behavior. The results can be used to determine the most suitable disposal environments for biodegradation of Mater-Bi®-based wastes. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Dynamics of Silica Colloid Deposition and Release in Packed Beds of Aminosilane-Modified Glass Beads

The transport and deposition dynamics of colloidal particles in packed porous media were investigated. The colloids were negatively charged silica particles (0.1 and 0.3 μm in diameter), and the packed-bed columns comprised aminosilane-modified glass beads. The glass beads acquired a positive surface charge by anhydrous chemical reaction with aminoethyl(N-aminopropyl)dimethoxymethylsilane. Maximum attainable surface-coverage (θmax) and excluded-area-parameter (β) values were determined for particle deposition experiments under various physicochemical conditions, namely, solution ionic strength, flow velocity, and particle size. The results demonstrated that excluded-area-parameter values increased with decreasing ionic strength and increasing flow velocity and particle size. Observed excluded-area-parameter values smaller than 1.83, the hard-sphere jamming limit according to random-sequential-adsorption (RSA) mechanics, alluded to the occurrence of multilayer deposition. The release of deposited particles.
Simultaneous Recovery of Nickel and Cobalt from Aqueous Solutions using Complexation-Ultrafiltration Process

Simultaneous recovery of nickel and cobalt from aqueous solutions by complexation-ultrafiltration process with polyethylenimine (PEI) was studied. Experiments were performed as a function of polymer/metal ratio (P/M), solution pH, and ionic strength. Effects of concentration time on metal rejection and membrane flux were also studied. At optimum experimental conditions of pH 6.0 and P/M 5.0, the nickel removal efficiency reaches at 99.9% and cobalt removal efficiency goes to 96.4%. Both nickel and cobalt removal efficiencies decreased as the adding salt concentration increases. During 12 h of the ultrafiltration process, the decline of membrane flux was less than 16% and the removal efficiencies for both nickel and cobalt were kept almost constant. Diafiltration was further performed to regenerate PEI. The removal efficiencies for both metals using recycled PEI were found to be close to those with the original PEI. Results from the two-step process of complexation-UF and decomplexation-UF separation showed that it could be a promising method for simultaneous recovery of nickel and cobalt from aqueous solutions.
Production of solasodine by microbial hydrolysis of glycoalkaloids of Solanum eleagnifolium Cav. and its application to the synthesis of 16-dehydropregnenolone acetate

Glycoalkaloids from Solanum eleagnifolium Cav. were converted into solasodine in high yield by microbial hydrolysis. It was possible to use the mycelium obtained in the fermentation for further enzymic conversion of glycoalkaloids. The crude solasodine obtained by microbial hydrolysis was converted into 16-DHPA with 48–53% yields.
Cation Ordering and Electrochemical Properties of the Cathode Materials LiZnxMn2-xO4, 0 < x ≤ 0.5: A 6Li Magic-Angle Spinning NMR Spectroscopy and Diffraction Study

The local and long-range structures of LiZnxMn2-xO4 (x = 0.1, 0.2, 0.3, 0.5) have been studied by using 6Li magic-angle spinning (MAS) NMR spectroscopy and X-ray and neutron powder diffraction. For all the samples, a 6Li resonance at approximately 2000 ppm is observed due to the presence of Li in the octahedral sites of the spinel structure, indicating that Zn substitutes for lithium in the tetrahedral sites. For low doping levels (x = 0.1 and 0.2), several resonances at 500−700 ppm are seen, which are assigned to lithium cations in tetrahedral sites with local environments such as Li(OMn3.5+)12-y(OMn4+)y, Mn3.5+ indicating a Mn ion with an average oxidation state of 3.5. The x = 0.3 sample is not obtained as a single phase; instead, two phases with Zn-doping levels corresponding to x = 0.2 and 0.5 are observed. Different cation-ordering schemes are observed for the x = 0.5 sample, depending on the condition of synthesis: slow cooling from 700 °C to room temperature results in cation ordering in both tet.