Miracle-dz/UniFAR-FTUs huggingface dataset:
Oriented Mesoporous Silica Films Obtained by Electro-Assisted Self-Assembly (EASA)

Highly ordered and vertically oriented mesoporous silica films can be generated by electro-assisted self-assembly (EASA). The method involves the electrogeneration of hydroxide ions at an electrode surface immersed in an hydrolyzed sol solution (containing typically tetraethoxysilane, TEOS, and cetyltrimethylammonium bromide, CTAB) in order to catalyze polycondensation of the precursors and self-assembly of hexagonally packed one-dimensional channels that grow perpendicularly to the support. Vertically aligned mesostructures have been demonstrated by TEM imaging and by grazing incidence X-ray diffraction (GIXD), this latter technique enabling characterization of thin films directly on their underlying electrode surface. The influence of the electrosynthesis medium composition (precursor and surfactant concentrations, surfactant chain length) on the mesostructural order and film thickness has been thoroughly examined. It was shown that the highly ordered and oriented mesoporous silica films can be obtained.
EFFECT OF CARBON CONSTITUENTS IN MANURE ON DENITRIFICATION IN SOIL

Nine different manures were evaluated to determine their ability to supply carbon to denitrifying bacteria in waterlogged soil. Manure slurries (anaerobically decomposed) and stacked or composted manures (aerobically decomposed) were included in this study. Water-soluble C concentration was considerably higher in the slurries than in the stacked or composted manures. Volatile fatty acids (VFA, including acetate, propionate, and butyrate) were significant components of water-soluble C in the slurries. Concentrations of VFA ranged from 5.9 to 26.1 g kg−1 in the slurries. Nitrous oxide production (denitrification) and CO2 evolution in manure-amended soil was closely related to both water-soluble C and VFA concentrations in the manures. In a second experiment, acetate, propionate, and butyrate appeared to be equally effective C sources for denitrifiers in soil amended with dairy cattle slurry. Nitrous oxide production was better correlated with VFA disappearance than with water-soluble C disappearance. Volati.
Geometric and electronic properties of small vanadium clusters: A density functional study

The geometric and electronic properties of vanadium clusters in the range from V2 to V8 have been investigated using the density functional theory, and an LCAO approach for the expansion of the electronic wavefunctions. The optimized low energy isomers are found to be three dimensional for clusters larger than the tetramer, and the evaluated bond dissociation energies, ionization potentials and electron affinities are in good agreement with experimental results. All cluster sizes are found to possess low magnetic moments as ground states, which is in contrast with previous suggestions. In the case of V3− and V4−, a comparison with photo-electron spectra is done by computing the self consistent excitation spectra.
Diffusion of poly(dimethylsiloxane) mixtures with silicate nanoparticles

Pulsed field-gradient (PFG) NMR has been used to measure self-diffusion coefficients in mixtures of silicate nanoparticles with poly(dimethylsiloxane)s as a function of volume fraction of particles and of polymer molecular weight. Two different sizes of nanoparticles were used: the smaller acted like a solvent, and the larger one acted more like a colloidal particle. In the former case, two distinct diffusion coefficients were obtained, corresponding to the particle and the polymer. In the second case, only a signal from the polymer was evident because of the short spin−spin relaxation time (T2) of the particle. However, in this latter case the diffusional attenuation indicated the presence of both free polymer and locally mobile but translationally constrained polymer, characteristic of polymer adsorption from a liquid. The data have been interpreted as a function of particle loading, and calculations have been made to estimate the thickness of the polymer layer using a hydrodynamic model.
Insights in the mat of posidonia oceanica: biogeochemical sink and paleoecological record (nuevas perspectivas sobre la mata de posidonia oceanica: sumidero biogeoquímico y registro paloecológico)

El objetivo general que se planteo para esta tesis doctoral fue el avanzar en el conocimiento y la aplicacion del gran potencial de los sedimentos bajo praderas de P. oceanica en el campo de la biogeoquimica y la paleoecologia. Los trabajos se han estructurado en dos partes: I. Una primera, que constituye el cuerpo de la tesis y consta de 2 articulos: una descripcion con detalle y extension temporal ineditos de la tecnica de muestreo, composicion de la mata y reevaluacion de su magnitud como sumidero biogeoquimico, y la primera reconstruccion de la dinamica milenaria de la abundancia de metales pesados en ambientes costeros. II. Una segunda que consta de otros 2 articulos: el primero se deriva de la ampliacion de estudios previos destinados a la puesta a punto d? e la 13C como paleoindicador de la productividad y el balance de carbono de P. oceanica, asi como de la irradiacion que llega al dosel. El estudio puso en evidencia informacion muy relevante relacionada con la variabilidad estacional en la capacidad de supervivencia de la planta ante fenomenos de reduccion de la irradiacion. El segundo contribuye a la mejora de la calidad de la informacion paleoecologica que se extrae de la composicion isotopica de los tejidos de P. oceanica y de las tecas de foraminiferos bentonicos.
ICP-AES and ICP-MS Quantification of Trace Elements in the Marine MacroalgaFucussample, a New Candidate Certified Reference Material

Abstract To develop a Certified Reference Material (CRM) suitable for monitoring the ongoing pollution affecting the marine and coastal environment, the International Atomic Energy Agency (IAEA), in collaboration with the United Nations Environmental Programme (UNEP) and the Intergovernmental Oceanographic Commission (IOC), launched a project for the preparation of a new CRM based on the marine macroalgaFucussample The authors' laboratory participated in the project as regards the analysis of As, Cd, Co, Cr, Cu, Fe, Ni, Pb, and Zn. Both inductively coupled plasma atomic emission spectrometry (ICP-AES) and quadrupole inductively coupled plasma mass spectrometry (ICP-MS) were used to this end. Complete digestion of the organic matrix and full mastering of both emission and mass spectra interferences were crucial to the obtainment of reliable data eligible for inclusion in the set of results chosen for the actual certification.
Oscillatory Kinetics in Heterogeneous Catalysis

Practically by definition, heterogeneous catalytic reactions represent systems far from thermodynamic equilibrium, and therefore one can observe in such systems rate oscillations, spatiotemporal patterns and chaos--a group of phenomena which has been denoted ``dissipative structures`` by Prigogine. Although oscillatory kinetics in a heterogeneous chemical reaction system had been discovered quite early, it was only about 25 years ago that such phenomena were also found in heterogeneous catalysis by the group of Wicke, who observed rate oscillations in catalytic CO oxidation. Since then, oscillatory surface reactions have developed into a field of very active research. The purpose of the present paper is not to give a full account of all the experimental and theoretical work on oscillatory surface reactions, but to demonstrate the main lines in the development of the whole field. The paper is organized such that first the phenomenology and the mechanisms which give rise to oscillations are presented before the more complicated aspects of spatiotemporal self-organization and chaotic dynamics are discussed. 360 refs.
Thermal conductivity of Indian unleavened flat bread (Chapati) at various stages of baking.

A steady state technique was used to measure thermal conductivity of whole wheat dough (for production of rolled chapatti) and baked chapatti (round disc prepared mostly from whole wheat flour dough) at various stages of cooking. Based on the experimental data of chapatti at various stages of cooking, a linear equation K = -0.5677 + 0.01396 M + 0.005131 T is proposed for conductivity of wheat flour dough and baked chapatti at moisture levels (M): 35 < M < 50% [wet basis] and temp. ranges 35 < T < 60
Gaseous Detonation in Piping Systems Partially Filled With Liquid

In this paper, we report the results of our investigation into the transmission of a detonation from a gas-filled section of pipe into a water-filled portion. Experimental studies were performed using a detonation in a H2 -N2 O mixture within a 2-inch, Schedule 40 pipe. The detonation wave impinges on a vertical column of water just downstream of a 90-degree bend. A shock wave is transmitted into the water-filled section and propagates slower than the sound speed in the water due to the coupling of flexural waves in the pipe with pressure waves in the liquid. Incident, transmitted, and reflected pressures in the gas are monitored, along with hoop and longitudinal strain throughout the pipe length. Results are presented for a both prompt initiation of an ideal (Chapman-Jouguet) detonation and deflagration-to-detonation transition (DDT) occurring just upstream of the gas-liquid interface. The results of the experiments are analyzed using computational modeling and simulation with an Eulerian hydrodynamic code as well as classical wave interaction methods. For a Chapman-Jouguet (CJ) detonation, the reflected and transmitted pressures agree with the classical one-dimensional theory of wave interaction. The values of the peak reflected pressure are close to those that would be obtained considering the water as a perfectly reflecting boundary. The transmitted wave propagates at a speed consistent with the Korteweg speed of classical water hammer theory and little to no attenuation in amplitude over ∼ 1.5 m of travel. In one DDT event, peak pressures up to 11 times the CJ pressure were observed at the end of the water-filled section. © 2009 ASME
Nano-scale chemical and structural segregation induced in surface layer of NaNbO3 crystals with thermal treatment at oxidising conditions studied by XPS, AFM, XRD, and electric properties tests

The process of ionic segregation in the surface layer induced by the thermal treatment of the NaNbO3 crystal was studied. The study of the as grown crystal and the crystal heated at 970 K in ambient air was carried out for comparison. The changes in the concentration of the elements within the surface layer were determined using XPS measurements. The AFM technique was applied to determine the surface morphology related to nano-scale transformation. The possibility of appearance of the Ruddlesden–Popper phases was detected by the XRD test. The change in the features of the electric permittivity, the loss tangent, and the electric conductivity was ascribed to the marked participation of the chemically modified surface layer in the measured effective electrical properties.
Frontier molecular orbital correlations for predicting rate constants between alkenes and the tropospheric oxidants NO3, OH and O3

Two types of correlation relating the value of the energy of the highest occupied molecular orbital (HOMO) of an alkene to the logarithm of its rate constant for reaction with NO3, OH or O3 have been formulated. Both correlations have been shown to be consistent with frontier molecular orbital theory. The correlation can be used to predict the rate constants for the reaction of an alkene with NO3, OH or O3 by calculating the value of the HOMO energy of the alkene. The accuracy of these predictions is quoted as a 48, 40 and 97% minimum probability that the predicted rate constant for reaction of an alkene with NO3, O3 and OH, respectively, will be within a factor of two of the measured rate constant. This probability is increased to a minimum of 73, 80 and approaches 100% for the reactions of NO3, O3 and OH, respectively, with conjugated dienes.
Spectral and Structural Characteristics of Oxazine 4/Hexadecyltrimethylammonium Montmorillonite Films

Competitive adsorption from oxazine 4/hexadecylammonium solutions on montmorillonite films was used for the preparation of hybrid materials with modified optical properties. The films were characterized using linearly polarized visible spectroscopy, X-ray diffraction, and fluorescence spectroscopy. The composition of the reactant solution influenced the amount of the dye adsorbed on the clay mineral template and secondarily affected the presence of variable dye species (isolated dye cations and dye molecular aggregates). Polarized spectroscopy revealed an almost perpendicular orientation of large-sized H-aggregates with a sandwich-type intermolecular association. A more-parallel orientation occurred for other dye species such as isolated dye cations, H-dimers, and J-aggregates. Coadsorption of the surfactant did not change the orientation of the chromophores significantly. The variation of the chromophore/surfactant amounts in the interlayer spaces of the montmorillonite did not lead to significant change.
Neon atoms oscillating inside carbon and boron nitride nanotubes: a fully atomistic molecular dynamics investigation

In the present work, based on extensive fully atomistic molecular dynamics simulations, we discuss the dynamics of neon atoms oscillating inside (5,5) single-walled carbon nanotubes (CNTs) and boron nitride nanotubes (BNNTs). Our results show that sustained high-frequency oscillatory regimes are possible for a large range of temperatures. Our results also show that the general features of the oscillations are quite similar to those observed in CNT and BNNT, in contrast with some speculations in previous works in the literature about the importance of broken symmetry and chirality exhibited by BNNTs.
Highly Active Photocatalytic TiO2 Powders Obtained by Thermohydrolysis of TiCl4 in Water

Highly active photocatalytic TiO2 samples were synthesized by thermohydrolysis of TiCl4 in water at 100 °C. Rutile, binary mixtures of anatase and rutile or anatase and brookite or ternary mixtures of anatase, brookite, and rutile were obtained depending on the TiCl4/H2O ratio. Rietveld refinements were employed to evaluate the crystalline phases and composition of the mixtures. The effect of the aging time on the phase composition was also studied. The band gap values of the samples were obtained by the diffuse reflectance spectra. The position of the flat band potentials of anatase, brookite, and rutile was determined measuring the photovoltage as a function of the suspension pH. From these data, the relative positions of the energy bands of the three semiconductors were estimated. 4-Nitrophenol photodegradation was used to evaluate the photoactivity of the various samples. Some powders were more active than Degussa P25. The most efficient samples consisted of a ternary mixture of anatase, brookite, and.
Nanocrystalline NaTaO3 thin film materials with ordered 3D mesoporous and nanopillar-like structures through PIB-b-PEO polymer templating: towards high-performance UV-light photocatalysts

Ordered mesoporous NaTaO3 thin films with both 3D honeycomb and nanopillar-like structures were successfully produced through sol–gel templating using a novel amphiphilic diblock copolymer, PIB53-b-PEO45, as the structure-directing agent. These nanocrystalline materials not only exhibit enhanced UV-light photocatalytic activity but are also able to maintain stable performance.
Supplementary Potassium Nitrate Improves Salt Tolerance in Bell Pepper Plants

Abstract The effect of supplementary potassium nitrate (KNO3) on growth and yield of bell pepper (Capsicum annum cv. 11B 14) plants grown in containers under high root‐zone salinity was investigated. Treatments were (1) control, soil only and (2) high salt treatment, as for control plus 3.5 g NaCl kg−1 soil. Above treatments were combined with or without either 0.5 or 1 g supplementary KNO3 kg−1 soil. Plants grown at high NaCl had significantly less dry matter, fruit yield, and chlorophyll than those in the control treatment. Supplementing the high salt soil with 0.5 and 1 g KNO3 kg−1 increased plant dry matter, fruit yield, and chlorophyll concentrations as compared to high salt treatment. Membrane permeability increased significantly with high NaCl application, but less so when supplementary KNO3 was applied. High NaCl resulted in plants with very leaky root systems as measured by high K efflux; rate of leakage was reduced by supplementary KNO3. These data suggest that NaCl status affect root membrane integrity. Sodium (Na) concentration in plant tissues increased in leaves and roots in the elevated NaCl treatment as compared to control treatment. Concentrations of K and N in leaves were significantly lower in the high salt treatment than in the control. For the high salt treatment, supplementing the soil with KNO3 at 1 g kg−1 resulted in K and N levels similar to those of the control. These results support the view that supplementary KNO3 can overcome the effects of high salinity on fruit yield and whole plant biomass in pepper plants.
Ferrimagnetic/ferroelastic domain interactions in magnetite below the Verwey transition. Part I: electron holography and Lorentz microscopy

The crystallographic and magnetic microstructure of magnetite (Fe3O4) below the Verwey transition (∼120 K) is studied using transmission electron microscopy. The low temperature phase is found to have a monoclinic C-centered lattice with a c-glide plane perpendicular to the b-axis, which allows twin-related crystal orientations to be distinguished. Off-axis electron holography and Lorentz electron microscopy are used to show that magnetic domains present at room temperature become subdivided into sub-micron-sized magnetic domains below the Verwey transition, with the magnetization direction in each magnetic domain oriented along the monoclinic [001] axis. The nature of the interactions between the magnetic domain walls and the ferroelastic twin walls is investigated. Cooling and warming cycles through the transition temperature are used to show that a memory effect is likely to exist between the magnetic states that form above and below the transition. Our results suggest that ferroelastic twin walls have a strong influence on the low temperature magnetic properties of magnetite.
Identification of Tree Fruit Species by Pollen Ultrastructure1

Differences in size and surface ultrastructure of pollen grains are useful for distinguishing species of tree fruits. Peach (Prunus persica [L.] Batsch) and nectarine (P. persica var. nectarina [Ait.] Maxim.) have the largest pollen grains, about 62 × 32 μm, and have similar surface markings. Apricot (P. armeniaca L.), like peach, pollen has ridges of exine which are generally longitudinal and shallow, but the grains are slightly smaller. Pollen of European plum (P. domestica L.) is slightly shorter and comparatively wider than that of peach and has the most prominent and complex exine ridging of the tree fruit species. Japanese plum (P. salicina Lindl.) pollen has similar conformation and surface appearance to that of peach but is only one-half as large. Sweet cherry (P. avium [L.] L.) and apple (Malus domestica Borkh.) pollens are about three-fourths the dimensions of those of peach and have narrower ridges. Apple has the least coarse ridges of any of the tree fruits. Sweet cherry has many abortive grains and its exine ridges are more distinct than those of apple. Sour cherry (P. cerasus L.) pollen is about one-half the size of peach pollen and has prominent ridges and many abortive grains. Pear (Pyrus communis L.) pollen is also about one-half the length of peach pollen but comparatively wider; it has shallow but distinct and complex ridges and some abortive grains.
Influence of adjuvants on behavior of phenmedipham in plant and soil

The aim of the present study was to determine the infl u- ence of an addition of adjuvants on behaviour of phenmedipham in agricultural environment - residues in soil, plant, degradation rate and leaching into the soil profi le. Field experiments were conducted during a three-year -period from 2006 until 2008 on ar - able fi elds located in South-Western Poland. Chemical weed con- trol in sugar beet was carried out by commercial formulation of phenmedipham. The herbicide was applied alone and in mixture with adjuvants (oil and surfactant). Phenmedipham residues were analysed using high performance liquid chromatography with UV detection. At lifting time, in soil samples taken from plots where phenmedipham was applied alone, the residues amounted to 0.0082-0.0128 mg kg -1 . In sugar beet roots samples, the resi- dues of phenmedipham were lower than in soil and amounted to 0.0032-0.0084 mg kg -1 . The addition of adjuvants caused an in- crease of the active substance (a.s.) residues in soil and roots of sugar beet. The residues of phenmedipham determined in roots did not exceed acceptable values MRLs (Maximum Residue Lev- els). The addition of oil adjuvant reduced the degradation rate of phenmedipham in soil. No signifi cant differences were observed between degradation rates for phenmedipham applied alone and with surfactant adjuvant. The DT 50 value for mixture phen- medipham + oil adjuvant was about 1
Determination of Naproxen and its Metabolite, 6‐O‐Desmethylnaproxen, in Human Urine by Capillary Isotachophoresis

Abstract Analysis of naproxen (NP) and 6‐O‐desmethylnaproxen (DNP) in human urine samples was carried out using a column‐coupling isotachophoretic analyzer equipped with a conductivity detector. The preseparation capillary (80 mm×0.8 mm I.D.) was connected with an analytical capillary (160 mm×0.3 mm I.D.). The preseparation capillary was filled with the leading electrolyte (LE): 20 mM hydrochloric acid adjusted with creatinine to pH 5.0; 0.1% methylhydroxypropylcellulose. The analytical capillary was filled with the LE: 10 mM hydrochloric acid adjusted with β‐alanine to pH 4.0; 0.1% methylhydroxypropylcellulose. The terminating electrolyte was 10 mM 2‐(N‐morpholino)‐ethanesulfonic acid adjusted with tris(hydroxymethyl) aminomethane to pH 6.9. Limit of quantitation was 1.4 µg/mL for NP and 0.5 µg/mL for DNP. The proposed method was successfully applied to the direct determination of free NP and DNP in urine samples. The total of free and conjugated NP and DNP was obtained by including an alkaline hydrolysis step.
Experimental study and modelling of the water phase change kinetics in soils

When dealing with porous media, the liquid‐gas phase‐change is generally considered instantaneous, while a retardation time is observed in the case of hygroscopic soils. So far, little research has been done to characterize the non‐equilibrium behaviour of water phase change. Therefore, we propose a macroscopic model of the liquid‐gas phase‐change rate in porous media, based on the difference of chemical potentials between the liquid and its vapour, which is taken as the driving force. It introduces a phenomenological coefficient that must be determined experimentally. An original experiment able to create a macroscopic non‐equilibrium between the liquid and its vapour is described. Analysing the return to equilibrium leads to the determination of the phenomenological phase‐change coefficient. Depending on the range of partial vapour pressure, two different behaviours are observed: a linear domain close to equilibrium and a non‐linear one far from equilibrium. The results emphasize the relation between water retention properties in hygroscopic porous media and these phase‐change characteristics.