Miracle-dz/UniFAR-FTUs huggingface dataset:
Influence of treatment temperature on wettability of Norway spruce thermally modified in vacuum

Wettability of Norway spruce modified by a new vacuum thermal modification procedure was studied. The mass loss caused by this process ranged from almost 0% when treated at 140 °C to 4.3% at 210 °C. Apparent contact angles of water, formamide, and diiodomethane were measured by the Wilhelmy plate method on the specimens taken from the centers of the thermally modified wood samples. For the treatment at the highest temperature, the contact angle of water was significantly higher when compared to untreated spruce (96.6° vs. 83.6°); lower treatment temperatures, however, did not result in a clear correlation between treatment temperature and contact angle. Formamide yielded lower contact angles for treated spruce compared to the untreated one, but without clear influence of the treatment temperature and diiodomethane always gave perfect wetting. Surface energy calculations according to the Owens, Wendt, Rabel, and Kaelble method revealed that the thermal modification process in vacuum increased the surface free energy and lowered the polarity of wood significantly only at the highest applied temperature (210 °C); the treatment had only limited effect at lower temperatures of modification. These results indicate that adequate wetting and adhesion can be achieved on the surfaces of Norway spruce thermally modified in vacuum.
Affinity functions for modeling glass dissolution rates

Glass dissolution rates decrease dramatically as glasses approach "saturation" with respect to the leachate solution. This effect may lower the dissolution rate to 1/100 to 1/1000 of the unsaturated rate. Although rate controls on glass dissolution are best understood for conditions far from saturation, most repository sites are chosen where water fluxes are minimal, and therefore the waste glass is most likely to dissolve under conditions close to saturation. Our understanding of controls on dissolution rates close to saturation, versus far from saturation, are therefore of greater significance for assessing release rates of radionuclides from repositories. The key term in the rate expression used to predict glass dissolution rates close to saturation is the affinity term, which accounts for saturation effects on dissolution rates. The form of the affinity term and parameters used to model glass dissolution are clearly critical for accurate estimates of glass performance in a repository. The concept of saturation with respect to glass dissolution is problematic because of the thermodynamically unstable nature of glass. Saturation implies similar rates of forward (dissolution) and back (precipitation) reactions, but glasses cannot precipitate from aqueous solutions; there can be no back reaction to form glass. However experiments have shown that glasses do exhibit saturation effects when dissolving, analogous to saturation effects observed for thermodynamically stable materials. Attempts to model the glass dissolution process have therefore employed theories and rate equations more commonly used to model dissolution of crystalline solids, as described below
ANTIMICROBIAL ACTIVITY OF THE LICHENS ASPICILIA CINEREA, COLLEMA CRISTATUM, OCHROLECHIA ANDROGYNA, PHYSCIA AIPOLIA AND PHYSCIA CAESIA

The antibacterial and antifungal activities of acetone, methanol and aqueous extracts of the lichens Aspicilia cinerea, Collema cristatum, Ochrolechia androgyna, Physcia aipolia and Physcia caesia were tested in vitro against six bacterial and 11 fungal species. Antimicrobial activity was checked by the disk diffusion test and by determining the minimal inhibitory concentration (MIC) by the broth tube dilution method. In general, methanol extracts inhibited the greatest number of microorganisms tested. The methanol extract of Aspicilia cinerea, in relation to Klebsiellapneumoniae and its acetone extract against Bacillus mucoides had the lowest MIC (0.09 mg/mL of extract). Aqueous extracts of all of the lichens had the lowest activity. They were inactive against all of the tested organisms, with the exception of the aqueous extract of Physcia aipolia (which only inhibited some of the bacteria tested) and that of Collema cristatum (which inhibited all of them). Aqueous extracts of the lichens did not have antifungal activity.
Selective Conversion of Biomass Hemicellulose to Furfural Using Maleic Acid with Microwave Heating

Maleic acid has interesting properties versus other organic and mineral acids in furfural formation. The use of maleic acid as a catalyst in biomass conversion has the benefit in comparison to the use of other acids (mineral/organic) due to the efficient conversion of solid xylans to xylose at high yields in aqueous solution at the reasonably mild temperature of 160 °C. This manuscript reports the kinetics of xylose dehydration to furfural using maleic acid over the temperature range 180–210 °C. These kinetics were used to determine the optimal temperatures and times for a two-step process to first hydrolyze plant hemicellulose to furfural and then to subsequently dehydrate the resulting xylose to furfural. High selectivity in furfural formation was observed when maleic acid was in equimolar or higher concentrations compared to the initial xylose concentration. High selectivity for furfural, 67%, was observed for xylose derived from corn stover, switch grass, and poplar, in comparison to modest selectivit.
Structure and elasticity of MgO at high pressure

Abstract The structural and elastic properties of MgO periclase were studied up to 150 GPa with the first-principles pseudopotential method within the local density approximation. The calculated lattice constant of the B1 phase over the pressure range studied is within 1% of experimental values. The observed B1 phase of MgO was found to be stable up to 450 GPa, precluding the B1-B2 phase transition within the lower mantle. The calculated transition pressure is less than one-half of the previous pseudopotential prediction but is very close to the linearized augmented plane-wave result. All three independent elastic constants, c11, c12, and c44, for the B1 phase are calculated from direct computation of stresses generated by small strains. The calculated zero-pressure values of the elastic moduli and wave velocities and their initial pressure dependence are in excellent agreement with experiments. MgO was found to be highly anisotropic in its elastic properties, with the magnitude of the anisotropy first decreasing between 0 and 15 GPa and then increasing from 15 to 150 GPa. Longitudinal and shear-wave velocities were found to vary by 23 and 59%, respectively, with propagation direction at 150 GPa. The character of the anisotropy changes qualitatively with pressure. At zero pressure longitudinal and shear-wave propagations are fastest along [111] and [100], respectively, whereas above 15 GPa, the corresponding fast directions are [100] and [110]. The Cauchy condition was found to be strongly violated in MgO, reflecting the importance of noncentral many-body forces.
Industrial preparation of phosphonium ionic liquids

While a great deal of attention has been given to imidazolium ionic liquids in recent years, very few investigations involving phosphonium ionic liquids have been reported in the journal literature. The same is not true in the patent literature, where, in addition to filings concerning phosphonium ionic liquids specifically, filings concerning imidazolium ionic liquids routinely claim the manufacture and/or use of phosphonium ionic liquids as well. Despite this activity, commercial applications, and hence commercial production, have not materialized for any ionic liquids to date. Here we present an account of our research into ionic liquids from the perspective of a future, large-scale producer of ionic liquids for industrial applications. Several phosphonium ionic liquids are discussed with respect to synthesis and physical characteristics, and broad comparisons are made to relevant imidazolium systems. Full synthetic and characterization data are reported for several representative compounds including trihexyl(tetradecyl)phosphonium chloride, trihexyl(tetradecyl)phosphonium bis(2,4,4-trimethylpentyl)phosphinate, trihexyl(tetradecyl)phosphonium tetrafluoroborate, triisobutyl(methyl)phosphonium tosylate, and triisobutyl(methyl)phosphonium dimethylphosphate.
Poly(l-lysine)-g-Poly(ethylene glycol) Layers on Metal Oxide Surfaces: Attachment Mechanism and Effects of Polymer Architecture on Resistance to Protein Adsorption†

The generation of surfaces and interfaces that are able to withstand protein adsorption is a major challenge in the design of blood-contacting materials for both medical implants and bioaffinity sensors. Poly(ethylene glycol)-derived materials are generally considered to be particularly effective candidates for the fabrication of protein-resistant materials. Most metallic biomaterials are covered by a protective, stable oxide film; converting such oxide surfaces, which are known to strongly interact with proteins, into noninteractive surfaces requires a specific design of the surface/interface architecture. A class of copolymers based on poly(l-lysine)-g-poly(ethylene glycol) (PLL-g-PEG) was found to spontaneously adsorb from aqueous solutions onto several metal oxide surfaces, such as TiO2, Si0.4Ti0. 6O2, and Nb2O5, as measured by the in situ optical waveguide lightmode spectroscopy technique and by ex situ X-ray photoelectron spectroscopy. The resulting adsorbed layers are highly effective in reducing th.
Dielectric properties of Fe-doped TiO2 nanoparticles synthesised by sol–gel route

Fe-doped nanocrystalline samples of titanium oxide have been synthesised by sol–gel route and conventional sintering process at 450°C under atmospheric conditions. These samples are characterised by X-ray diffraction (XRD), X-ray photoelectron spectroscopy, transmission electron microscopy (TEM) and dielectric property measurement. Samples with Fe content more than 4 mole% crystallises in rutile phase and those with less than 4 mole% crystallises in anatase phase. Nanocrystallite size has been controlled by Fe doping. Crystallite size was found to decrease with Fe concentration in the anatase phase samples whereas reverse happens in rutile phase samples of titanium oxide. There is a slight variation in numerical values of crystallite sizes measured by the two techniques: TEM and XRD peak broadening. The highest crystallite size was 86 nm in 10 mole% Fe-doped samples and the lowest 20 nm in 4 mole% Fe-doped sample. Large dispersions and anomalous values of the dielectric constant, εr were observed at low frequency in anatase phase samples. Rutile phase samples exhibit little dispersion over the measurement frequency range of 20 Hz to 10 MHz. The dielectric constant value of all the samples stabilises to a constant value at higher frequencies. This value is dependent on the final crystalline phase but independent of the crystallite size. The anomalous dielectric behaviour of anatase samples at low frequencies is assigned to the adsorbed –OH ions on the sample surface.
Graphite Ablation and Thermal Response Simulation Under Arc-Jet Flow Conditions

The Two -dimensional Implicit Ther mal Response and Ablation program (TITAN) was developed and integrated with a Navier -Stokes solver (GIANTS) for multi - dimensional ablation and shape change simulation of thermal protection systems in hypersonic flow environments. The governing equations in both codes are discretized using the same finite -volume approximation with a general body -fitted coordinate system. Time - dependent solutions are achieved by an implicit time marching technique using Gauss -Siedel line relaxation with alternating sweeps. As the first part of a code validation study, this paper compares TITAN -GIANTS predictions with thermal response and recession data obtained from arc -jet tests recently conducted in the Interaction Heating Facility at NASA Ames Research Center. The test mod els are graphite sphere -cones. Graphite was selected as a test material to minimize the uncertainties from material properties. Recession and thermal response data were obtained from two separate arc -jet test series. The first series was at a heat flux whe re graphite ablation is mainly due to sublimation, and the second series was at a relatively low heat flux where recession is the result of diffusion -controlled oxidation. Ablation and thermal response solutions for both sets of conditions, as calculated by TITAN -GIANTS, are presented and discussed in detail. Predicted shape change and temperature histories generally agree well with the data obtained from the arc -jet tests. Nomenclature
Emission characteristics and morphology of wet etched cathodes in p‐type silicon

An isotropic wet etching process was used to generate arrays of field emitting, square‐based pyramidal cathodes on (001), p‐type silicon wafers. Their general morphology compared well with that found by Cade et al.,1 except that for cathodes with edges oriented along 〈110〉 directions, a ridgelike apex was formed. Transmission electron microscope examination of oxidized tips confirmed that tip sharpening occurs, improving the aspect ratio and producing two sharp cusps from a ridgelike apex and a single sharpened tip from a pointed apex. A modified Philips 505 SEM was used to make electrical measurements from the arrays. Measurements could be made over the range 1–2500 V with a current sensitivity of 10−13 A, current readings being taken over 6 orders of magnitude, in a vacuum of 3×10−7 Torr. Fowler–Nordheim plots exhibited characteristics typical of p‐type silicon showing a plateau region which was eliminated by coating with metal. Oxidation sharpening was shown to improve emission and the lowest voltage a.
Fluoride Sorption from Aqueous Solutions and Drinking Water by Magnesium, Cobalt, and Nickel Hydrotalcite-Like Compounds in Batch and Column Systems

Magnesium, nickel, and cobalt hydrotalcite-like compounds (MgAlHT, NiAlHT, and CoAlHT) were used to remove fluoride ions from aqueous solutions and drinking water in batch and column systems. Mg, Ni, and Co hydrotalcite like compounds with similar M2+:Al3+ ratios were synthesized. F− ions were determined in the remaining solutions using a fluoride ion selective electrode. Kinetic of the fluoride sorption from aqueous solutions by hydrotalcite-like compounds (HT) was best described by the pseudo-second-order model and the equilibrium was reached in less than 200 minutes for all cases (MgAlHT, NiAlHT and CoAlHT); however, this behavior was not observed for fluoride sorption from drinking water by NiAlHT. The sorption isotherms of the fluoride ion by hydrotalcite like compounds could be best fitted to the Langmuir and Freundlich models. NiAlHT showed the highest efficiency for the removal of fluoride ions from aqueous solutions in batch system. The removal of fluoride ions by NiAlHT from aqueous solutions was more efficient than from drinking water in both batch and column systems.
Characterization of Products from the Pyrolysis of Municipal Solid Waste

Abstract Pyrolysis of municipal solid waste (MSW) in the form of refuse-derived fuel (RDF) was performed in a fixed bed reactor to recover char, oil/wax and combustible gases. It was established that the yield and composition of the products recovered depended on temperature; the percentage yield of char fell as the pyrolysis temperature was raised from 400°C to 700°C, whereas that of oil/wax and gaseous products rose. The chars recovered were also found to have properties which depended on the size fraction analysed. The gaseous product evolved during the pyrolysis had a high calorific value, making the gases suitable for use as a fuel. Fourier transform infrared spectrometry (FT-ir) of the derived oils, indicated that they were chemically very complex and highly oxygenated, and have the potential of being used either as a petrochemical feedstock or as a substitute liquid fuel.
The Mediating Effects of the Manufacturing Capability and the Testing and Inspection Capability on the Relation between Small and Medium Venture Firms' External Information Network Heterogeneity and Technology Commercialization Capability

This study has attempted to empirically analyze the mediating effects of small and medium venture firms’ manufacturing capability and testing and inspection capability on the relation between their external information network heterogeneity and technology commercialization capability with a view to diversifying the research stream on the influential factors to small and medium firms’ technology commercialization capability. By performing the ordinary least squares regression analysis, the Sobel test
Synthesis and Structural Characterization of Cr2O3 Nanoparticles Prepared by Using Cr(NO3)3.9H2O and Triethanolamine Under Microwave Irradiation

In this study, Chromium oxide nanoparticles (Cr 2 O 3 -NPs) was prepared by sol-gel method, using Cr(NO 3 ) 3 . 9H 2 O as a Precursor material, triethanolamine (TEA) as a template and water as green solvent under microwave irradiation . X- ray diffraction (XRD), Scanning electron microscopy (SEM), Rietveld refinement and Fourier Transform Infrared spectroscopy (FTIR) were employed to characterize the average crystallite size, crystalline structure, morphology, unit cell parameters and chemical groups of the annealed powder. From XRD data and Dicvol 91 software analysis, the crystal system was found to be rhombohedral structure for samples. The average crystallite size is calculated by using Debye-Scherrer formula, crystallites size and strain are calculated by using Williamson-Hall formula. The effect of particle size on the crystal lattice distortion ratio, specific surface area, dislocation density and number of unit cell was discussed. A good agreement is between XRD data and FIR data. The qualitative phase analysis is performed by Rietveld analysis using “Fullprof” program of Cr 2 O 3 -NPs. Keywords: Cr 2 O 3 , Nanoparticles, Sol – Gel , Structural Properties, Rietveld refinement.
Variations in chemical composition and structural properties of antigorites.

Chemical, X-ray, electron optical, and infrared analyses have been made on twenty antigorites form the Nishisonogi and Sasaguri areas, northern Kyushu, Japan, along with two antigorites from other localities. The indexed X-ray powder patterns give various supercell A parameters (A = 35.4–47.2A) as well as varying subcell dimensions (a = 5.42–5.46, b = 9.24–9.26, c = 7.24–7.28A, (β = 91.3–91.7°). When the ratio of A⁄a is represented by M (M = 6.5–8.7), the electron diffraction patterns can be classified into M = n (n is integer), M = (2n + 1)/2, and M ≠n⁄2 types. The minerals with these different types of M aggregate to form common antigorite specimens. The well-known A = 43A antigorite belongs to the M = n type. Single crystal X-ray and electron diffraction patterns indicate that the true superstructure periodicity along the X axis of the antigorites giving M = (2n + 1)/2 type patterns, which may contain odd-numbered octahedra in the one alternating-wave, is 2A (corresponding to two waves) and the space lattice is C-centered. This lattice seems to give more reasonable structures at the inversion points of the alternating-waves than hitherto predicted (Kunze, 1961). The M ≠n⁄2 type patterns may be caused by coherent domains with different A parameters of the former two types. The structural formula of antigorite can be given by Mg6Si4(1 + 1/2M)O10(1+1/2M)(OH)8-2M. Octahedral Mg is substituted by Fe2+, and Al or trivalent cations substitute for both the tetrahedral and octahedral cations, although the trivalent cations may be contained more in the octahedral positions for most materials. Larger Fe2+ content (FeO 5.5% in max.) tends to bring larger a and b, but smaller c and M(A) parameters. The small c is also produced by relatively large Al contents (Al2O3 4.1% in max.), which supports the presence of tetrahedral Al together with the infrared 3570 cm−1 band. The main OH band at 3685–3674 cm−1 tends to decrease in frequency with increasing Fe content and decreasing M parameter. The correlations of the Fe contents to the a and M parameters and to the main OH band are somewhat different between the Nishisonogi and Sasaguri antigorites, which are discussed in relation to their formation conditions.
The use of stable isotopes ratios for authentication of fruit juices

The determination of the content of stable isotopes, 18O and 2H, respectively, in juice water facilitates the distinction between authentic juices and juices made from concentrates by redilution with tap water. At the same time, the detection of C4 cane or corn-derived sugar syrups in fruit juices which are produced from C3 fruit types is thus facilitated by the characteristic differences in 13C/12C, expressed as δ13C (‰) values due to photosynthetic CO2 assimilation via the C3−, C4−, and crassulacean acid metabolism pathways. In this study, the quantitative determination of water added to an authentic juice, on the basis of δ18O, and δ2H values, respectively, was successfully performed. Also, the δ18O, and δ2H of juice water and δ13C of the whole juice in 18 samples were also determined. The results obtained provided us with the possibility of distinguishing between authentic fruit juices and those obtained by redilution of concentrated fruit juices and the detection of C4 type added sugar.
The effect of oxygen stoichiometry on phase relations and structure in the system La1-xSrxFeO3-δ (0≤x≤1, 0≤δ≤0.5)

An extensive range of compounds in the La[sub 1[minus]x]Sr[sub x]FeO[sub 3[minus][sigma]] (0 [le] x [le] 1, 0 [le] [sigma] [le] 0.5) system have been synthesized. When [sigma] [approximately] 0 the system is composed of three crystallographically different regions: Orthorhombic for 0 [le] x [le] 0.2, rhombohedral for 0.4 [le] x [le] 0.7, and cubic for 0.8 [le] x [le] 1.0. Products were characterized by thermogravimetric analysis and Moessbauer spectroscopy yielding information on oxygen stoichiometry and iron oxidation state. At 4.2 K, Moessbauer spectra are composed of magnetic sextet components arising from different charge states of iron; in the orthorhombic and rhombohedral phases the charge states Fe[sup 3+] and Fe[sup 5+] coexist, and Fe[sup 4+] and Fe[sup 3+] are present in the cubic region. Room temperature Moessbauer spectra show that samples in the orthorhombic region are still magnetically ordered and the coexistence of Fe[sup 3+] and Fe[sup 5+] remains, while between x = 0.4 and x = 1.0 the samples are paramagnetic; in the rhombohedral region the spectra show the presence of Fe[sup 4+] and Fe[sup 3+], and in the cubic region both Fe[sup 4+] and an intermediate valence state are assigned. High-resolution powder neutron diffraction data were collected on samplesmore » annealed under high-pressure oxygen, and full structure refinements were carried out using the Rietveld method. Accurate bond length data obtained for all phases show that the iron coordination geometry becomes more regular with increasing Sr, and hence Fe[sup 4+], content. A phase diagram for the full range of lanthanum/strontium and oxygen stoichiometry is proposed. « less