Miracle-dz/UniFAR-FTUs huggingface dataset:
Crystallization of Titanosilicate Glasses for Nuclear Waste Immobilization

The effects of different cooling and reheating rates on the phase constitutions of Na2O–Al2O3–TiO2–SiO2 glass-ceramics containing up to 20 wt% of simulated nuclear fuel recycle waste have been studied using X-ray diffraction, differential thermal analysis, and scanning and transmission electron microscopy. The metastable formation of a perovskite-structured phase (nominally CaTiO3, but containing ionic substituents) was observed in samples with up to 15 wt% of simulated waste after cooling from the melt at rates between 0.25 and 50°C/min. When the partially devitrified glass was reheated to 1050°C, incomplete conversion of this phase to sphene (nominally CaTiSiO5) occurred by reaction with the silica-rich glass matrix. The conversion was completed by heating further to 1150°C. Waste loadings ⋝10 wt% produced crystallization of powellite (nominally CaMoO4) in addition to sphene and perovskite, whereas metastable perrierite (a rare-earth titanosilicate) was also crystallized at waste loadings ⋝15 wt%. New data on elemental partitioning between the crystalline and vitreous phases confirmed earlier results obtained in different atmospheres and with simplified waste compositions and were largely in accord with crystal-chemical predictions.
Solar radiation transfer and performance analysis for a low concentrating photovoltaic/thermal system

In this study, we investigated a concentrating solar photovoltaic/thermal system that uses solar radiation in the visible and infrared ranges separately. In this system, photoelectric and photothermal conversions are achieved independently via the thermal unit and the photovoltaic (PV) module, respectively. The operation of the thermal unit is not affected by temperature limitations imposed by the PV module. The results indicate that water as the working fluid in the thermal unit directly absorbs 33% of the solar radiation. When the mass flow rate was reduced, the water temperature at the thermal unit outlet increased; however, both the temperature and the electrical efficiency of the solar cell remained constant. When the solar radiation increased from 640 to 3200 W/m2, the concentrating photovoltaic/thermal (CPV/T) system produced high‐grade heat with an only 1.4% drop in electrical efficiency. Moreover, the exergetic efficiency of the CPV/T system increased with increasing incident solar irradiance. © 2015 American Institute of Chemical Engineers Environ Prog, 35: 263–270, 2016
Growth behavior and properties of atomic layer deposited tin oxide on silicon from novel tin(II)acetylacetonate precursor and ozone

In this work, a novel liquid tin(II) precursor, tin(II)acetylacetonate [Sn(acac)2], was used to deposit tin oxide films on Si(100) substrate, using a custom-built hot wall atomic layer deposition (ALD) reactor. Three different oxidizers, water, oxygen, and ozone, were tried. Resulting growth rates were studied as a function of precursor dosage, oxidizer dosage, reactor temperature, and number of ALD cycles. The film growth rate was found to be 0.1 ± 0.01 nm/cycle within the wide ALD temperature window of 175–300 °C using ozone; no film growth was observed with water or oxygen. Characterization methods were used to study the composition, interface quality, crystallinity, microstructure, refractive index, surface morphology, and resistivity of the resulting films. X-ray photoelectron spectra showed the formation of a clean SnOx–Si interface. The resistivity of the SnOx films was calculated to be 0.3 Ω cm. Results of this work demonstrate the possibility of introducing Sn(acac)2 as tin precursor to deposit c.
Spin crossover complexes as building units of hydrogen-bonded nanoporous structures

The paper reports on the synthesis, crystal structure, differential scanning calorimetry (DSC) and magnetic properties of a spin crossover salt of formula [Fe(bpp)2](cis,cis-1,3,5-Hchtc)·5.5 H2O (1) (bpp = 2,6-bis(pyrazol-3yl)pyridine; cis,cis-1,3,5-Hchtc = monoprotonated cyclohexanetricarboxylate dianion). The salt shows a porous structure with water molecules sitting in the channels. The electronic configuration of the Fe2+ ions is high-spin (HS). Desolvation of 1 yields a material exhibiting an abrupt spin crossover with a thermal hysteresis loop located near room temperature (T1/2↑ = 319 K and T1/2↓ = 309 K). Rehydration of this desolvated salt yields an essentially low-spin (LS) material. This is the first example of a series of hydrogen-bonded porous structures that combine a Fe(bpp)2 spin crossover unit acting as a hydrogen-bond donor and polycarboxylate anions acting as hydrogen-bond acceptors with different connectivities.
Liquid crystalline polymers in nematic solvents: interfacial behaviour and active anchoring

Liquid crystalline polymers in nematic solvents are studied theoretically. Three different scenarios are discussed: (i) confined polymers; (ii) grafted polymers and (iii) double brushes. The competition between nematic distortion, chain elasticity, excluded volume and nematic anchoring enables these systems to exhibit a number of remarkable properties. Notably, they can undergo tilting and anchoring transitions and show a quasi-piezoelectric effect. These phenomena may have applications in the design of liquid crystal displays and in making smart electro-optic, mechano-optic and electromechanic materials.
Toxicological Evidence for Health Effects from Inhaled Particulate Pollution: Does it Support the Human Experience?

AbstractThe fine size mode of ambient particulates, designated as PM-10, is a heterogeneous mixture that can vary in particle size and chemical composition, depending on geographical location, meteorology, and source emissions. While epidemiological studies indicate an association between ambient particulate air pollution exposure and increased human mortality and morbidity, the question remains as to biological plausibility. Individual components of PM-10 have been shown, in experimental studies, to produce what may be considered to be adverse health effects similar to those observed in humans. For example, diesel exhaust particles are associated with lung tumors, and acid sulfates are associated with airway hyperresponsiveness and alterations in mucociliary clearance. However, in most cases, exposure levels are well above those found in ambient air, and the relationship between results of toxicological assessments and human exposure scenarios is not always clear. Furthermore, in some cases, the chemical.
Adsorption equilibria of phenol on anion exchange resins in aqueous solution.

therms can be expressed by Freundlich equations as indicated by solid lines in Fig. 1. In the case of the hydroxide form, in particular, two lines are obtained on log-log paper to express the isotherm. For any concentration, the amount of phenol adsorbed is lower than the total capacity of the ion exchange resin as shown by the broken line in Fig. 1. Phenol may be adsorbed by physical interaction in
Letter: Octahedral cation distribution in palygorskite

Abstract The OH speciation of 18 palygorskite samples from various localities were evaluated by near infrared spectroscopy (NIR) and compared to the corresponding octahedral composition derived from independent, single-particle analytical electron microscopy (AEM). NIR gives evidence for dioctahedral-like (AlAlOH, AlFe3+OH, Fe3+Fe3+OH) and trioctahedral-like (Mg3OH) species. Therefore, palygorskite can be approximated by the formula yMg5 Si8O20(OH)2·(1 - y)[xMg2Fe2·(1 - x)Mg2Al2] Si8O20(OH)2, where x is the Fe content of the dioctahedral component, and y is the trioctahedral fraction. The values of x estimated from the NIR data are in excellent agreement with the Fe/(VIAl + Fe) ratio from AEM (R2 = 0.98, σ = 0.03), thus suggesting that all octahedral Al and Fe in palygorskite participate in M2M2OH (dioctahedral-like) arrangements. Furthermore, y values from AEM can be compared to NIR (R2 = 0.90 and σ = 0.05) after calibrating the relative intensity of the Mg3OH vs. (Al,Fe)2OH overtone bands using AEM data. The agreement between the spectroscopic and analytical data are excellent. The data show that Fe3+ for Al substitution varies continuously in the analyzed samples over a broad range (0 < x < 0.7), suggesting that fully ferric dioctahedral palygorskites (x = 1) may exist. On the other hand, the observed upper trioctahedral limit of y = 0.50 calls for the detailed structural comparison of Mg-rich palygorskite with sepiolite.
Structure–property relationship of pH-sensitive (PCL)2(PDEA-b-PPEGMA)2 micelles: Experiment and DPD simulation

The experiment and dissipative particle dynamics simulation were carried out on four polymers with different block ratios for the investigation of the structure–property relationship of (poly(e-caprolactone)2-[poly(2-(diethylamino)ethyl methacrylate)-b-poly(poly(ethylene glycol) methyl ether methacrylate)]2 [(PCL)2(PDEA-b-PPEGMA)2] micelles. The miktoarm star polymers assembled into spherical micelles composed of PCL core, pH-sensitive PDEA mesosphere and poly (ethylene glycol) methyl ether methacrylate (PPEGMA) shell. When decreasing pH from 7.4 to 5.0, the hydrodynamic diameter and transmittance of (PCL)2(PDEA-b-PPEGMA)2 micelles increased along with globule-uneven-extended conformational transitions, owing to the protonation of tertiary amine groups of DEA at lower pH conditions. Doxorubicin (DOX) was mainly loaded in the pH-sensitive layer, and more DOX were loaded in the core when increasing drug concentrations. The in vitro DOX release from the micelles was significantly accelerated by decreasing pH from 7.4 to 5.0. The results demonstrated that the pH-sensitive micelles could be used as an efficient carrier for hydrophobic anticancer drugs, achieving controlled and sustained drug release. © 2014 American Institute of Chemical Engineers AIChE J, 60: 3634–3646, 2014
Preliminary study of the sources of ambient air pollution in Serpong, Indonesia

There has been increasing interest regarding air pollution in the Serpong area of Indonesia, a region near Jakarta, especially with respect to high concentrations of Pb detected in early 2001. Several studies have been conducted, but the appropriate action needed to control this pollution has not been identified because of inadequate identification of the particulate matter sources. In this study, source investigation was performed using the chemical characteristics of ambient airborne particulate matter samples from several locations in Serpong and its surroundings. Sampling of airborne particulate matter was conducted using a Gent stacked filter unit sampler in Serpong between August and November 2008. Black carbon (BC) was determined by reflectance and elemental analysis were performed using particle induced X–ray emission (PIXE). Al, As, Ba, Br, Ca, Cl, Co, Cr, Cu, Fe, Hg, I, K, Mg, Mn, Na, Ni, P, Pb, S, Sc, Si, Se, Sr, Ti, V and Zn were determined. The results showed that the higher Pb concentrations in both fine and coarse particulate matter were observed in the industrial area compared to adjacent residential areas. The Pb percentages in the collected PM2.5 mass in the residential and industrial areas were 3.1% and 4.3%, respectively, while for PM2.5–10, Pb represented 1.9% and 6.0% of the PM mass, respectively. The fine fraction data from two residential areas (Setu and EMC) were analyzed using EPA PMF (version 3) for source apportionment. The source apportionment identified 5 factors, i.e., lead industry and road dust (12%), diesel vehicles (30%), oil and power plant (26%), road dust (17%) and biomass burning mixed with road dust (15%).
A Mixed-Ligand Approach Enables the Asymmetric Hydrogenation of an α-Isopropylcinnamic Acid en Route to the Renin Inhibitor Aliskiren

An asymmetric hydrogenation process for the α-isopropyl dihydrocinnamic acid derivative 2, an intermediate for the renin inhibitor aliskiren (4), has been developed using a rhodium catalyst ligated with a chiral monodentate phosphoramidite and a nonchiral phosphine. Whereas catalysts based on two equivalents of monodentate phosphoramidites gave promising results, the rate of hydrogenation and ee of the product could be improved spectacularly by the addition of monodentate nonchiral triarylphosphines to these catalysts. This remarkable mixed-ligand catalyst has been identified using high-throughput experimentation. With the best catalysts turnover numbers >5000 mol mol-1, turnover frequencies >1000 mol mol-1 h-1, and ee's up to 95% have been achieved.
Effets des amendements organiques exogènes sur la composition de la matière organique et le stockage du carbone d'un sol dégradé par l'érosion dans le Nord du Vietnam

Une strategie pour ameliorer durablement la fertilite des sols degrades par erosion au Nord du Vietnam consiste a apporter des amendements organiques exogenes (AOEs). L'application du lisier de buffle, son compost et lombricompost, ainsi que le biochar permettraient a faible cout d’ameliorer la qualite des sols et la croissance des plantes en reduisant l'utilisation d'engrais, mais egalement de sequestrer du carbone. L’objective de cette these est d’evaluer (1) l’utilite des quatre AOEs seuls ou en association pour sequestrer du carbone, et (2) l’effet de l’apport des quatre substrats organiques seuls ou en association sur la quantite et qualite des matieres organiques d’un sol agricole tropical degrade typique du Nord du Vietnam. Pour repondre a cet objectif, nous avons effectue des incubations au laboratoire, en sachet de litiere dans des conditions de terrain et suivi pendant trois ans une experience en mesocosme avec ajouts des AOEs au sol cultive en conditions de terrain.Nos resultats montrent que le compostage en presence de vers de terre conduit a une plus forte transformation de la matiere organique issue du lisier de buffle par rapport au compostage traditionel. Le lombricompost etait enrichi en composes azotes et appauvri en polysaccharides, et se caracterisait par une alteration plus importante des lignines en comparaison avec le compost. La stabilite biologique de ces AOEs a ete liee a leur teneur en carbone soluble, diminuant suivant l’ordre : lisier de buffle > compost > lombricompost, alors que leur reactivite chimique etait similaire. Le biochar, constitue de carbone aromatique, se caracterisait par une tres forte stabilite biologique et chimique. L’association du biochar avec les autres AOEs a influence leur stabilite chimique et biologique, en protegeant la matiere organique labile contre l'oxydation chimique et la degradation biologique.Notre experience de trois ans en mesocosmes en conditions naturelles a montre que tous les AOEs ont un effet positif sur le stockage du carbone dans le sol ainsi que sur la qualite de la matiere organique de sol. L’association de biochar et de lombricompost en augmenttant l’abondance des composes derives de la lignine ainsi que la teneur en sucre provenant des plantes et des microorganismes, semble montrer un effet synergique de cette association sur la fertilite des sols (activite microbienne, prospection racinaire). Compare aux resultats d’incubation en sachet de litieres, ces resultats indiquent un effet significatif et contraste des AOEs sur la croissance des plantes en particulier sur l’apport racinaire. En conclusion, l’association de biochar et de lombricompost semble la meilleure solution pour ameliorer la qualite de sol degrade par l'erosion dans le Nord du Vietnam. Ces resultats devront etre confirmes par des etudes a long terme, tant du point de vue de la qualite physicochimique que biologique des sols amendes par ces AOEs.
A natural template approach to mesoporous carbon spheres for use as green chromatographic stationary phases

This study reports the development of calcium alginate-based highly mesoporous carbon spheres (AMCS). These materials exhibit significant potential in chromatographic applications and demonstrated similar efficiency to commercially available porous graphitic carbon (PGC) and are superior to Starbon® materials in separation of polar carbohydrate analytes. The AMCS exhibit a narrow particle size distribution, are highly spherical and exhibit extensive mesoporous networks (up to ca. 90% mesoporosity). It is shown how calcium content can significantly influence the textural properties of the resulting AMCS materials. The AMCS production process requires no additional templating agents and temperatures of only 800 °C. In contrast, PGC are manufactured through an energy-intensive manufacture process, which requires a hard-templated mesoporous carbon intermediate to be pyrolysed to over 2000 °C under argon. Thus AMCS demonstrate promise as a green alternative to PGC in chromatographic applications.
On the Steady-State Oxygen Permeation Through La2NiO4 + δ Membranes

The steady-state oxygen permeation through polycrystalline La 2 NiO 4 + δ , synthesized by a citric acid-based technique and sintered at 1350°C, has been measured as a function of oxygen gradient, temperature (850-1000°C), and membrane thickness (0.3-2.5 mm). In agreement with earlier reports, the La 2 NiO 4 + δ membranes show high permeation rates, comparable to those found for the perovskite-related La 1 - x Sr x Co 1 - y Fe y O 3 - δ materials. The self-diffusion coefficient and the surface exchange coefficient of oxygen are extracted from the data through transport modeling using averaged bulk transport parameters and through numerical analysis based on a one-dimensional finite-element method. The self-diffusion coefficient and surface exchange coefficients show Arrhenius-type behavior with activation energies 40 ′ 20 and 110 ′ 60 kJ/mol, respectively, and agree qualitatively with literature data obtained by 1 6 O 2 / 1 8 O 2 exchange/secondary ion mass spectroscopy analysis at lower temperatures.
High-Tc and high-Jc SmFeAs(O,F) films on fluoride substrates grown by molecular beam epitaxy

Superconducting thin films of SmFeAs(O,F) were prepared by molecular beam epitaxy on fluoride substrates. In our process, F-free SmFeAsO films were grown first, and F was subsequently introduced to the films by diffusion from an overlayer of SmF3. By this simple process, record high Tc, namely, Tcon (Tcend) = 57.8 K (56.4 K) was obtained in a film on CaF2. Furthermore, the films on CaF2 showed high critical current density over 1 MA/cm2 in the self-field at 5 K. The correlation between superconductivity and epitaxial strain in SmFeAs(O,F) films is discussed.
Becoming What We Love: autogynephilic transsexualism conceptualized as an expression of romantic love

The increasing prevalence of male-to-female (MtF) transsexualism in Western countries is largely due to the growing number of MtF transsexuals who have a history of sexual arousal with cross-dressing or cross-gender fantasy. Ray Blanchard proposed that these transsexuals have a paraphilia he called autogynephilia, which is the propensity to be sexually aroused by the thought or image of oneself as female. Autogynephilia defines a transsexual typology and provides a theory of transsexual motivation, in that Blanchard proposed that MtF transsexuals are either sexually attracted exclusively to men (homosexual) or are sexually attracted primarily to the thought or image of themselves as female (autogynephilic), and that autogynephilic transsexuals seek sex reassignment to actualize their autogynephilic desires. Despite growing professional acceptance, Blanchard's formulation is rejected by some MtF transsexuals as inconsistent with their experience. This rejection, I argue, results largely from the misconception that autogynephilia is a purely erotic phenomenon. Autogynephilia can more accurately be conceptualized as a type of sexual orientation and as a variety of romantic love, involving both erotic and affectional or attachment-based elements. This broader conception of autogynephilia addresses many of the objections to Blanchard's theory and is consistent with a variety of clinical observations concerning autogynephilic MtF transsexualism.
TIME DEPENDENT VOLTAGE IN CuInSe2 AND CdTe SOLAR CELLS

The open circuit voltage of CuInSe2 and CdTe solar cells continues to increase during the time range of to IO4 s after the cell is illuminated or otherwise placed in forward bias. The effect is qualitatively similar in all samples measured to date, however, the magnitude of the voltage shift varies from 3 to 40 mV. The shift increases with increasing light intensity. The voltage shift depends on the voltage history of the sample and not the illumination history. Application of an appropriate pre-measurement bias in the dark can significantly reduce the voltage shift. When the cell remains in the dark with a constant forward current, a nearly identical voltage shift is seen. The time required for the cell to relax back to the dark zero-bias steady-state condition is similar to the time the cell has been in forward bias. A likely cause for the shift is electron-trapping centers near the diode junction which change occupation with changes in voltage. The voltage shift has important consequences for pulse-simulator measurements, which, because of the shift, tend to underestimate the steady-state voltage.
Alternaria mycotoxins: an overview of chemical characterization, producers, toxicity, analysis and occurrence in foodstuffs

Microfungi of the genus Alternaria are ubiquitous pathogens and saprophytes. Many species of the genus Alternaria commonly cause spoilage of various food crops in the field or post-harvest decay. Due to their growth even at low temperatures, they are also responsible for spoilage of these commodities during refrigerated transport and storage. Several Alternaria species are known producers of toxic secondary metabolites - Alternaria mycotoxins. A. alternata produces a number of mycotoxins, including alternariol, alternariol monomethyl ether, altenuene, altertoxins I, II, III, tenuazonic acid and other less toxic metabolites. Tenuazonic acid is toxic to several animal species, e.g. mice, chicken, dogs. Alternariol, alternariol monomethyl ether, altenuene and altertoxin I are not very acutely toxic. There are several reports on the mutagenicity and genotoxicity of alternariol, and alternariol monomethyl ether. Alternariol has been identified as a topoisomerase I and II poison which might contribute to the impairment of DNA integrity in human colon carcinoma cells. Analytical methods to determine Alternaria toxins are largely based on procedures, involving cleanup by solvent partitioning or solid phase extraction, followed by chromatographic separation techniques, in combination with ultraviolet, fluorescence, electrochemical and mass spectroscopic detection. A large number of Alternaria metabolites has been reported to occur naturally in food commodities (e.g. fruit, vegetables, cereals and oil plants). Alternariol, alternariol monomethyl ether and tenuazonic acid were frequently detected in apples, apple products, mandarins, olives, pepper, red pepper, tomatoes, tomato products, oilseed rape meal, sunflower seeds, sorghum, wheat and edible oils. Alternariol and alternariol monomethyl ether were detected in citrus fruit, Japanese pears, prune nectar, raspberries, red currant, carrots, barley and oats. Alternariol monomethyl ether and tenuazonic acid were detected in melon. Natural occurrence of alternariol has been reported in apple juice, cranberry juice, grape juice, prune nectar, raspberry juice, red wine and lentils.