Miracle-dz/UniFAR-FTUs huggingface dataset:
Low friction and high load bearing capacity layers formed by cationic-block-non-ionic bottle-brush copolymers in aqueous media

Efficient lubricants should be able to build surface layers that result in low friction and high load bearing capacity. In this work we show how this can be achieved in aqueous media by means of adsorption of a diblock copolymer consisting of a cationic anchor block without side chains and an uncharged and hydrophilic bottle-brush block that protrudes into solution. Surface and friction forces were measured between negatively charged silica surfaces coated with adsorbed layers of the cationic diblock copolymer, utilizing the atomic force microscope colloidal probe technique. The interactions between the surfaces coated with this copolymer in water are purely repulsive, due to a combination of steric and electrostatic double-layer forces, and no hysteresis is observed between forces measured on approach and separation. Friction forces between the diblock copolymer layers are characterized by a low friction coefficient, μ ≈ 0.03–0.04. The layers remain intact under high load and shear due to the strong electrostatic anchoring, and no destruction of the layer was noted even under the highest pressure employed (about 50 MPa). Addition of NaCl to a concentration of 155 mM weakens the anchoring of the copolymer to the substrate surface, and as a result the friction force increases.
Location Of Hole And Electron Traps On Nanocrystalline Anatase TiO2

The defect photoluminescence from TiO2 nanoparticles in the anatase phase is reported for nanosheets which expose predominantly (001) surfaces and compared to that from conventional anatase nanoparticles which expose mostly (101) surfaces. Also reported is the weak defect photoluminescence of TiO2 nanotubes, which we find using electron backscattered diffraction to consist of walls which expose (110) and (100) facets. The nanotubes exhibit photoluminescence that is blue-shifted and much weaker than that from conventional TiO2 nanoparticles. Despite the preponderance of (001) surfaces in the nanosheet samples, they exhibit photoluminescence similar to that of conventional nanoparticles. We assign the broad visible photoluminescence of anatase nanoparticles to two overlapping distributions: hole trap emission associated with oxygen vacancies on (101) exposed surfaces, which peaks in the green, and a broader emission extending into the red which results from electron traps on undercoordinated titanium atoms,.
Approach of Certain Systems, Including Membranes, to Steady State

An investigation is made of the approach to steady state of a certain class of systems of independent subsystems. It is found that, roughly speaking, the variance, a matrix, approaches its steady‐state functional dependence on the mean, a vector, at twice the rate that the mean approaches its steady‐state value.
Confinement effects in quasi-stoichiometric CeO2 nanoparticles

This paper deals with the analysis of structural and electronic effects of size in quasi-stoichiometric CeO2 nanoparticles prepared by a microemulsion method. The preparation method yields highly controlled materials in terms of particle size distribution and chemical oxidation state, with the presence of Ce(III) species only below an average particle size of ca. 8 nm. The rather low quantity of Ce reduced ions produces marked differences with confinement effects previously reported in the literature. A steady behavior of the fluorite lattice parameter is observed as a function of size in the 5–10 nm range. In this range, the bandgap displays a small decrease of ca. 0.1 eV, with significant differences from the behavior expected on the basis of the effective mass approximation. These structural and electronic properties are rationalized on the basis of the characterization of the materials.
Determination of Total Nitrogen in Environmental Samples: Validation by Comparison of Techniques and Intralaboratory Studies

Abstract A rapid, microwave-based extraction method was employed to oxidize all forms of nitrogen to nitrate in environmental samples using persulfate. The digest was then analyzed spectrophotometrically after an offline reduction of nitrate to nitrite using a cadmium reductor column was completed. The precision of the method was tested at the 0.5 mg l−1 level and was 5.2% (N = 10). The detection limit based on S/N = 3 was calculated to be 0.15 mg l−1. The method was thoroughly validated by comparison of analytical techniques and intralaboratory comparison studies.
Rovibronic interactions in the photoabsorption spectrum of molecular hydrogen and deuterium: An application of multichannel quantum defect methods

Multichannel quantum defect theory (MQDT) is applied to the treatment of electron motion in molecular Rydberg states and its coupling to the vibrational and rotational motions of the nuclei. The full rovibronic Hamiltonian is taken into account and the theory formulated in terms of parameters which relate to the standard Born–Oppenheimer (BO) theory. The development is an extension of Seaton’s quantum defect theory and relies on Fano’s frame transformation method. MQDT is not restricted to the BO approximation, but includes the so‐called adiabatic corrections and nonadiabatic effects (i.e., vibronic coupling and rotational l uncoupling), however strong, without requiring the explicit evaluation of the interactions between individual levels. The general formalism can be simplified for the H2 and D2 molecules in the range below or near the ionization threshold and for vibrational excitation well below the dissociation energy. The only input data required are the potential energy curve of the ion core in its.
Polysulfone‐Activated Carbon Hybrid Particles for the Removal of BPA

Abstract Polysulfone‐activated carbon (PSF‐AC) hybrid particles are prepared using a liquid–liquid phase separation technique. The PSF‐AC hybrid particles are then used for the removal of bisphenol A (BPA) from its aqueous solutions. The PSF‐AC hybrid particles have similar structure as the polysulfone beads; both of them have a skin layer outside and a porous structure inside. The adsorption ability increased significantly when activated carbons were embedded into the particles, and the hybrid particles showed relatively more adsorption ability when the activated carbon content was 50%. The adsorbed BPA to the hybrid particles could be effectively removed by ethanol, which indicates that the hybrid particles can be reused. It is easy to prepare the particle column using these kinds of hybrid particles and the hybrid particle column could more effectively remove BPA. The results suggested that the PSF‐AC hybrid particles have a potential to be used for the removal of BPA in environmental application.
Computer simulations of structures and properties of the biomaterial hydroxyapatite

Carbonated hydroxyapatite is the major mineral phase in natural bone and teeth and is therefore an attractive material for use in tissue replacement applications. However, its successful application as a biomaterial requires a detailed understanding of its bulk and surface structures, defect chemistry, growth and dissolution behaviour and interaction with complex biomolecules. Computer modelling can aid experiment by investigating at the atomic level highly complex structures, properties and processes, which are still difficult or impossible to access with experimental techniques. Here, we describe our use of a combination of complementary computational techniques to investigate a number of topical issues relevant to the use of hydroxyapatite in biomaterials applications, including the bulk and surface structures of the pure material; the structure and location of carbonate impurities in the lattice; the uptake of fluoride and its effect on hydroxyapatite dissolution; and crystal growth inhibition by citric acid.
K1-xLaxCa2-xNb3O10, a Layered Perovskite Series with Variable Interlayer Cation Density, and LaCaNb3O10, a Novel Layered Perovskite Oxide with No Interlayer Cations

A series of layered perovskite oxides of the formula K1-xLaxCa2-xNb3O10 for 0 < x ≤ 1.0 have been prepared. All the members are isostructural, possessing the structure of KCa2Nb3O10. The interlayer potassium ions in the new series can be ion-exchanged with protons to give H1-xLaxCa2-xNb3O10. The latter readily forms intercalation compounds of the formula (CnH2n+1NH3)1-x LaxCa2-xNb3O10, just as the parent solid acid HCa2Nb3O10. The end member LaCaNb3O10 containing no interlayer cations is a novel layered perovskite oxide, being a n = 3 member of the series An-1BnX3n+1.
High‐Pressure Homogenization as a Process for Emulsion Formation

Emulsions find a wide range of application in industry and daily life. In the pharmaceutical industry lipophilic active ingredients are often formulated in the disperse phase of oil-in-water emulsions. Milk, butter, and margarine are examples of emulsions in daily life. In the metal processing industry emulsions are used in the form of coolants. Emulsions can be produced with different systems. In the following, the process of high-pressure homogenization is briefly compared to other common mechanical emulsification systems. To facilitate the selection of an emulsification system, the influence of the most important parameters of the emulsion formulation on the resulting mean droplet diameter in the most prevalent continuous emulsification systems is outlined. Subsequently, the most common high-pressure homogenization systems are discussed in detail. On the basis of data from the literature and own experimental results the described high-pressure homogenization systems will be compared regarding their attainable mean droplet diameter. It shows that homogenizers with a relatively simple geometry like the patented “combined orifice valve” (Kombi-Blende) attain the smallest mean droplet diameters. The advantage of the “combined orifice valve” compared to other high-pressure homogenization systems is not more efficient droplet disruption but rather more efficient droplet stabilization against coalescence immediately after the droplet breakup. The greatest research potential concerning the development of new high-pressure homogenization systems is still to be seen in improvements of droplet stabilization, i.e., the reduction of coalescence.
CFD Study of the Influence of Catalyst Particle Design on Steam Reforming Reaction Heat Effects in Narrow Packed Tubes

The heat effects of methane steam reforming reactions were simulated in a narrow packed tube using computational fluid dynamics (CFD) with heat sinks in the particles. Simulations were performed at constant pressure drop for cylindrical particles with different numbers and sizes of internal voids, and at different activity levels, corresponding to 2%, 3%, and 5% of the particle radius. Fluid and solid radial temperature profiles were found to be insensitive to the distribution of activity in the tube, but solid temperatures did depend on the activity level. At the tube wall, strong temperature differences were observed across the particles. The multihole particle designs showed higher heat uptakes and lower tube wall temperatures at each activity level. The CFD simulation results allowed a quantitative assessment of the effects of changing catalyst particle design.
Nitrogen application rate, timing and history effects on nitrous oxide emissions from corn (Zea mays L.)

Roy, A. K. , Wagner-Riddle, C. , Deen, B. , Lauzon, J. and Bruulsema, T. 2014. Nitrogen application rate, timing and history effects on nitrous oxide emissions from corn (Zea mays L.). Can. J. Soil Sci. 94: 563–573. Nitrous oxide (N2O) emissions resulting from application of nitrogen (N) fertilizer contribute to the greenhouse gas footprint of corn production. In eastern Canada, corn is a major crop with most N fertilizer applied pre- or at planting. This timing of application results in a lack of synchrony of soil N supply and crop N demand. Matching the amount and timing of application to crop uptake has been suggested as a mitigation measure to reduce N losses, and is an integral part of the 4R Nutrient Stewardship program. This study examined the effect of timing, rate and history of urea-ammonium nitrate application on N2O emissions in corn in 2011 and 2012 at Elora, ON, Canada. Treatments were three N rates (30, 145 and 218 kg N ha−1); two timings (N injected in mid-row at planting and at the 8th leaf .
Climate Change:What Does It Mean for Nebraska?

Because Nebraska’s location on the North American continent is far removed from large bodies of water, Nebraskans experience a strong continental type climate. As such, residents do not benefit from the moderating influence of the ocean, and temperatures can have wide swings from day to day and season to season. Typical characteristics for a continental climate at this latitude are large temperature variability with warm summers dominated by convective thunderstorms, and cold winters influenced by snow and wind from mid-latitude cyclones. From east to west across the state there is a considerable difference in climate, particularly for precipitation and humidity. The eastern half of the state receives moisture from southerly winds coming across the Gulf of Mexico. The western half usually cannot benefit from these moist southerly winds; therefore, it is much drier on average and less humid. Annually, precipitation ranges from more than 30 inches in the east to approximately 15 inches in the west. Systematic weather observations began in Nebraska in the late 1800s. By looking at a long history of observations, we are able to identify variability in climate and changes over time. When this is done, particular time periods stand out in the historical record. For example, notable warm periods in Nebraska occurred in the 1930s as well as the late 1990s and early 2000s (Figure 1). In fact, 2012 was the warmest year on record for the state. For precipitation, the 1930s dry period is clearly evident and stands out as having several years with significant annual departures. However, it was 2012 that recorded the driest year on record (Figure 2). Periods of above average precipitation are also evident in the historical record, such as the 1980s. If we look at changes over time, we see that since 1895 the average annual temperature in Nebraska has increased by about 1°F. Annual precipitation statewide since 1895 does not seem to have a discernible trend, however. These graphs illustrate the fact that conditions can vary a lot from year to year in Nebraska. This is because of the continental nature of Nebraska’s climate. One could say that the historical variability is greater than the detected long-term trend, or change in the state of the climate, since the trends have been relatively small in comparison to the year to year variability. Why, then, should we care about a change in climate, particularly for the future, and why does it matter to us? Will we experience a shift toward warmer, colder, wetter, or drier conditions that will cause noticeable shifts in the growing season conditions? This publication attempts to answer some frequently asked questions about changes in climate, such as the cause, regional vs. global change, weather vs. climate, and the impacts of a changing climate in Nebraska.
Haplotype: Alleles moving together

Haplotype is a set of single nucleotide polymorphisms (SNPs) on a single chromatid that are statistically associated. Combination of alleles of closely linked loci, those are found in a single chromosome and tend to be inherited together. Haplotype analysis is useful in identifying recombination events. The study of haplotypes within genes, which is also of great current interest, provides the opportunity to discover reliable markers of various phenotypes. Haplotype trees provide methods for examining the phylogeny of individuals based on their haplotypes and also provide methods for understanding molecular (genomic) natural selection. These trees can be created for one species or can be created to represent inter-species haplotypic phylogenies.
NITROUS OXIDE PRODUCTION AND FLUX FROM SOIL UNDER SOD FOLLOWING APPLICATION OF DIFFERENT NITROGEN FERTILIZERS

Concern over contribution of nitrous oxide (N2O) to global warming and stratospheric ozone depletion has prompted measurement of nitrous oxide (N2O) emissions from agricultural soils and study of controlling factors. The objectives of this study were [1] to measure the magnitude of N2O emissions from application of (NH4)2SO4, Ca(NO3)2 or urea (each at 100 kg N/ha) to a Kentucky bluegrass (Poa pratensis L.) stand, and [2] to compare flux of N2O from the surface measured with covers to N2O production and denitrification in soil cores collected at a depth of 2.5–7.5 cm. Water, NH4 + and NO3 − contents of soil cores were also measured. Application of all three fertilizers increased N2O production by soil cores, and N2O flux from covers. The two measurements differed in temporal pattern and magnitude. Flux of N2O from the soil surface is a more complex and variable process than N2O production in a specific soil layer. The possibility of increased N2O production with urea requires further investigation under more controlled conditions. Nitrification of NH4 + appeared to be the principal source of N2O.
Relationship between structural and secondary relaxation in glass formers: Ratio between glass transition temperature and activation energy

The relationship between structural and secondary dynamics is one of the most recently considered and possibly important issues of the dynamics in glass formers. One relation of interest is the ratio between the activation energy of the secondary relaxation and RT g, where T g is the glass transition temperature, and R is the gas constant. This relationship has been recently rationalized by the Coupling Model in terms of many-body dynamics and was applied to the intermolecular Johari-Goldstein secondary relaxation. This article investigates the pressure dependence of this ratio and attempts to verify the validity of the Coupling Model predictions under such conditions.
The Optimization of Conversion of Waste Edible Oil to Fatty Acid Methyl Esters in Homogeneous Media

Abstract Conversion of waste edible oil to the fatty acid methyl esters was optimized using sulfuric acid as a catalyst for transesterification and esterification simultaneously, and adding tetrahydrofuran as a cosolvent for producing a homogeneous media. The optimized model was established by the response surface methodology. The optimum conditions were methanol/oil molar ratio of 21:1, 3.95% of sulphuric acid based on the oil mass, and reaction period of 3.3 h at 64°C in the presence of tetrahydrofuran, obtaining a fatty acid methyl esters yield of 98.2%. Further verification experiments confirmed the validity of the predicted model. The result suggested that the present work had a significantly lower reaction temperature and methanol/oil molar ratio by the addition of tetrahydrofuran to the reaction system.
Heat transfer from micro-finned surfaces to flow of fluorinert coolant in reduced-size channels

Experiments were conducted in order to investigate the forced convective heat transfer from a micro-finned surface to a fluorocarbon liquid FX3250. The heat transfer surface is made from copper, has a base area 2/spl times/2 cm/sup 2/, and is equipped with 20 longitudinal fins, each fin being 0.5 mm high and 0.5 mm wide. Particular attention was directed to the effect of the channel height (H) on the heat transfer performance, changing H from 1 to 3 mm. The Reynolds number based on the hydraulic diameter covered a range from 1000 to 12000. Also conducted was an experiment using a flat heat transfer surface. It was found that the sensitivity of heat transfer performance to the change of H depends on the type of heat transfer surface. Comparisons are presented in terms of the heat transfer coefficient based on the actual heat transfer area. In order to interpret the experimental data the numerical simulation of flow and heat transfer was performed. The results render support to the heuristic assumption that the increased flow velocity in the free flow area above the fins in higher-height channels yield high heat transfer coefficients on the fin tips, offsetting the degradation of heat transfer in the grooves.
Biomass, Oleate, and Other Possible Substrates for Chloroethene Reductive Dehalogenation

Comparative studies were conducted with benzoate, propionate, oleate, tetrabutyl orthosilicate (TBOS), and biomass as substrates for dehalogenation of cis-1,2-dichloroethene (cDCE). All five substrates supported dehalogenation. Sufficient calcium was required to precipitate oleate and thus reduce its toxicity to the dehalogenating microorganisms. More cDCE was dehalogenated with TBOS than with benzoate, although TBOS initially had an inhibitory effect. The most efficient dehalogenation was associated with biomass, 20% of which was used for dehalogenation, even higher than the 17% obtained with propionate. The advantages and disadvantages of these organic substances for introduction into an aquifer as electron donors for in situ dehalogenation were examined in terms of efficiency of electron use for reductive dehalogenation, and method and ease of introduction into the aquifer. Benzoate and propionate are useful for recirculation systems, while TBOS, oleate, and biomass are appropriate for more passive approaches.
Recovery of zinc from electric-arc furnace dust by leaching with aqueous hydrochloric acid, plating of zinc and regeneration of electrolyte

Abstract Hot hydrochloric acid solutions were used to extract zinc from electric-arc furnace dusts containing zinc oxide and zinc ferrite and to minimize iron dissolution. Fresh electric-arc furnace dust was used to remove iron from the filtrate after hot acid leaching. The zinc chloride solutions, purified by activated carbon to remove organics and by metallic zinc powder to remove cadmium, copper and lead, were electrolysed in electrowinning cells that had a cation-exchange membrane to produce high-purity zinc metal and regenerate hydrochloric acid. The spent electrolyte contained 1-2 M HCl and this was used to leach the residue in the hot acid leaching vessel.
Glucose repression of the yeast ADH2 gene occurs through multiple mechanisms, including control of the protein synthesis of its transcriptional activator, ADR1

The rate of ADH2 transcription increases dramatically when Saccharomyces cerevisiae cells are shifted from glucose to ethanol growth conditions. Since ADH2 expression under glucose growth conditions is strictly dependent on the dosage of the transcriptional activator ADR1, we investigated the possibility that regulation of the rate of ADR1 protein synthesis plays a role in controlling ADR1 activation of ADH2 transcription. We found that the rate of ADR1 protein synthesis increased 10- to 16-fold within 40 to 60 min after glucose depletion, coterminous with initiation of ADH2 transcription. Changes in ADR1 mRNA levels contributed only a twofold effect on ADR1 protein synthetic differences. The 510-nt untranslated ADR1 mRNA leader sequence was found to have no involvement in regulating the rate of ADR1 protein synthesis. In contrast, sequences internal to ADR1 coding region were determined to be necessary for controlling ADR1 translation. The ADR1c mutations which enhance ADR1 activity under glucose growth conditions did not affect ADR1 protein translation. ADR1 was also shown to be multiply phosphorylated in vivo under both ethanol and glucose growth conditions. Our results indicate that derepression of ADH2 occurs through multiple mechanisms involving the ADR1 regulatory protein.