Miracle-dz/UniFAR-FTUs huggingface dataset:
Organic−Inorganic Hybrid from Ionomer via Sol−Gel Reaction

Transparent organic−inorganic hybrid material was synthesized via the sol−gel method using polyethylene-co-Zn-acrylic acid (Zn−PEAA) ionomer and a metal alkoxide, tetraethyl orthosilicate (TEOS). The resulting material was characterized using various spectroscopic, microscopic, and thermal techniques. Photoacoustic Fourier transform infrared spectroscopy (PA-FTIR) and 29Si solid-state nuclear magnetic resonance spectroscopy (29Si solid-state NMR) results prove that silica is formed via the sol−gel reaction. Scanning electron microscopy with energy-dispersive X-ray analysis (SEM-EDAX), transmission electron microscopy (TEM), and atomic force microscopy (AFM) studies indicate that silica particle size is in nanoscopic level (50 nm average size), and silica nanoparticles are uniformly dispersed in the polymer matrix after the sol−gel process. Thermogravimetric analysis (TGA) results show that the silica content of the hybrid is about 19%. The thermal stability of the ionomer increases after hybridization. Th.
Self-healing Of Steel Corrosion In A ModelAlkaline Medium: Electrochemical Response AndSurface Analysis

The application of polymeric nano-particles for corrosion control in reinforced cement-based systems was studied. As an initial investigation, steel electrodes (St37) were tested in modified cement extract (CE), which is a model pore solution of pH 12.9 and chemical composition: 201 mg/l Ca; 3.85 mg/l K; 1.33 mg/l Na; 4 mg/l Al, Fe < 1 mg/l. Corrosion initiating factor was 5% NaCl. PEO113-b-PS780 vesicles at 0.0024 wt. % in the CE were employed. These are nano sacs of 220 nm, enclosing a volume with a thin membrane, thus able to effectively entrap water-soluble compounds. Ion binding (bulk liquid medium), steel surface adsorption and/or participation in oxide layers formation were the expected mechanisms of particles’ involvement. Both “empty” and “Cacontaining” vesicles were studied to evaluate “barrier” effects only vs. selfhealing mechanisms. Increased steel corrosion resistance in the presence of both vesicle types was observed, however, it was more pronounced when Cacontaining ones were involved. CVA and XPS analysis, substantiate the selfhealing phenomena, through a direct evidence of pitting formation and propagation and consecutive healing (and no further pit formation) when Cacontaining vesicles are present.
Calculation of the ECT signal of a minute crack by a FEM-BIM hybrid method

A hybrid method is presented for the calculation of the interaction of a complicated shape ferrite-core eddy current testing probe with extremely small size cracks in a plate. The method is obtained by blending the boundary integral (BIM) and finite element (FEM) methods preserving their attractive properties, that is, the fast and accurate evaluation of the defect field and the versatility in specimen and probe geometry, respectively. FEM is applied for the computation of the electric field induced in the specimen without cracks. Using the obtained, so-called, incident field the BIM is used for the calculation of the field perturbation due to the presence of the cracks in the tested specimen. With the application of the presented hybrid calculations, a very fast and accurate method is developed for the solution of a problem that would pose considerable difficulties for either the FEM or the BIM if they were applied purely alone in the conventional way. The results of the calculations are compared with a large number of experimental data. The very good correlation between the measured and simulated probe responses proves the applicability of the presented method.
UV Rayleigh–Mie Raman Lidar for Simultaneous Measurement of Atmospheric Temperature and Relative Humidity Profiles in the Troposphere

A Rayleigh–Mie Raman lidar system at a wavelength of 355 nm has been upgraded for simultaneous measurements of atmospheric temperature, relative humidity and aerosol profiles in the troposphere. Temperature is determined from the Rayleigh spectral linewidth. Water vapor is determined from the intensity of the water vapor vibration-Raman line centered at 407 nm. A high-resolution grating is used to separate the water vapor vibration-Raman line and Rayleigh–Mie scattering spectrally from the lidar returns. Two Fabry–Perot filters with a dual-pass optical layout are used to detect the temperature changes. The measurement shows that statistical temperature errors of less than 1 K are obtained up to a height of 3.5 km, and the uncertainties of the water vapor in relative humidity are less than 10% at a height of 2.5 km when using a lidar system with 200-mJ laser energy, a 25-cm-diameter telescope and 3.5-min observation time. The performance of the lidar system is evaluated by comparison with radiosonde measurements. Close agreements are obtained between the lidar and radiosonde measurements.
Melting as a Disorder Phenomenon

The essential nature of the usual theory of melting-points is indicated by fig. 1. It is supposed that a property X (degree of order, density, heat content, etc.) of either phase is a continuous function of temperature, but that at a particular temperature, where the two phases have equal thermodynamic potential <j) = u + pv — Ts , the stability changes over, this being the meltingpoint. This theory gives no explanation of the fact that the continuation of the crystal curve beyond the melting-point has never been realized, i.e. that whereas supercooling of a liquid occurs, superheating of a crystal is unknown. This theory, which seemed natural when a liquid was regarded as a dense gas and a crystal as a perfect space lattice, is now by no means so obvious, since our knowledge has increased in recent years (Mie 1903). We know on the one hand from X-ray diffraction experiments that a liquid has a fairly high degree of order, only with a limited range of coherence; and on the other from these, from dielectric experiments and observations on diffusion, electrical conduction and specific heat, that a fairly large degree of disorder may exist in a crystal.
A manganese-containing molecular sieve catalyst designed for the terminal oxidation of dodecane in air

MnIII ions that replace a few percent of the framework AlIII sites in a microporous aluminophosphate—number 18, with a pore aperture of 3.8 A—function as catalytically active centres for the selective oxidation of dodecane preferentially at C1 and C2.
Zur Assoziation des Wassers III. Die Temperaturabhängigkeit der Wasserbanden bis zum kritischen Punkt

Es werden vier H2O-Oberschwingungen bis in uberkritische Bereiche quantitativ aufgenommen. Mit Hilfe einiger Naherungsannahmen wird versucht, den Anteil an freien OH-Gruppen im H2O als Funktion der Temperatur zu bestimmen. Mit diesem Ergebnis wird ein stark vereinfachtes Clustermodell fur H2O diskutiert. Nach diesem ist in der Nahe des Schmelzpunktes mit Ausdehnungen der H-Bruckensysteme bis zu einigen Hundert Molekeln zu rechnen. Four overtone vibrations of H2O are measured quantitatively up to hypercritical regions. With the assumption of some approximations an attempt is made to determine the proportion of free OH groups in H2O as a function of temperature. This result is used in a discussion of a very simplified cluster model for H2O, according to which the extent of the H-bridge system in the vicinity of the melting point amounts to several hundred molecules.
Influence of the Arrangement of the Octahedrally Coordinated Trivalent Cobalt Cations on the Electrical Charge Transport and Surface Reactivity

The spinel (Co3O4) and the perovskite (LaCoO3) oxides are two distinct structures that have in common the trivalent cobalt cations in the octahedral sublattice but in contrasting interconnection geometries. Several properties are directly related to these octahedra, which are edge-connected in the spinel and vertex-connected in the perovskite structure. The electrical charge transport was investigated in both materials to explain the superior conductivity of the perovskite despite the confirmed high mobility barrier. The surface probing indicates the higher reducibility of the spinel, and higher abundance and strength of the basic sites in the perovskite structure. The consequence of the contrasting physicochemical properties of these two materials, edge- and vertex-connected octahedra, on the surface reactivity was discussed in terms of the catalytic efficiency toward the oxidation of CO, aromatics, and alcohols.
Sulfur in agriculture

Sulfur (S) deficiency in soils is becoming increasingly common in many areas of the world as a result of agronomic practices, high biomass exportation and reduced S emissions to the atmosphere. In this review, the incidence and commercial exploitation of S pools in nature are discussed, as well as the importance of S for plants and the organic and inorganic S forms in soil and their transformations, especially the process of microbiological oxidation of elemental sulfur (S0) as an alternative to the replenishment of S levels in the soil. The diversity of S0-oxidizing microorganisms in soils, in particular the genus Thiobacillus, and the biochemical mechanisms of S0 oxidation in bacteria were also addressed. Finally, the main methods to measure the S0 oxidation rate in soils and the variables that influence this process were revised.
Molluscicidal Saponins of Phytolaccadodecandra: Lemmatoxin

Lemmatoxin, one of the molluscicidal saponin components of the fruit of Phytolaccadodecandra (endod), has been found to be a derivative of oleanolic acid substituted in the 3 position with a branched trisaccharide containing two glucose units and one galactose unit. A structure is proposed.
Lanthanide shift reagents. IX. Proton and carbon magnetic resonance study of specific contact interactions of a bifunctional oxazole amide with fluorinated lanthanide shift reagents

Highly specific proton line-broadening and paramagnetic 13C shifts observed for N-butyl-N(4-methyloxazol-2-yl)-2-methylpropionamide in the presence of fluorinated lanthanide shift reagents, are absent when non-fluorinated reagents are used. This unusual behaviour is rationalized in terms of possible chelation of the N-butyl-N(4-methyloxazol-2-yl)-2-methylpropionamide to the lanthanide reagent, causing transfer of the unpaired electron into the heterocyclic ring.
Nucleation energetics during homogeneous solidification in elemental metallic liquids

The solidification of a liquid by nucleation is an important first order phase transition process. It is known that in order for elemental liquids to solidify homogeneously, it is necessary to supercool the liquid to a characteristic temperature (TUC) below the thermodynamic melting point (TMP). Approximately 60 years ago Turnbull [J. Appl. Phys. 21, 1022 (1950)] established the empirical rule that ΔT∗=|TUC−TMP| is approximately given by 0.18 TMP for several elemental metallic liquids. We show here that the magnitude of ΔT∗ and TUC for the metals can be accurately predicted from classical nucleation theory (CNT) provided the excess volume resulting from the density difference between liquid and solid be accounted for. Specifically, the density change accompanying the formation of a microscopic nucleus of the solid from the liquid results in a volume change in the surrounding liquid. When this is included in the free energy calculations within CNT, the resulting predictions for ΔT∗ and TUC for several meta.
What are the basic mechanisms of electronic transitions in molecular dynamic processes

Abstract The basic mechanisms of electronic transitions in molecular processes and their theoretical treatments are summarized and reviewed. These are the non-adiabatic (either radially or rotationally induced) transitions and the decay (auto-ionization) mechanisms of ‘superexcited states’. The interdisciplinarity of the concept of non-adiabatic transition is emphasized, and the present status of the semiclassical theory is inclusively summarized together with some numerical applications. Particular emphasis is put on the non-adiabatic tunnelling process which is supposed to be an important key mechanism for state (or phase) change in various fields. Definitions of two kinds of superexcited state are given, and their peculiarities and richness in their participating dynamic processes are explained. The multichannel quantum defect theory is outlined and recommended as a powerful theoretical tool for dealing with the various dynamic processes such as photo-ionization, photodissociation, autoionization, diss.
Degradation of liposomal subcompartments in PEGylated capsosomes

Capsosomes, polymer hydrogel capsules containing intact liposomal subcompartments, represent a promising platform toward the assembly of cell-like systems. Compartmentalized assembly plays a key role in the creation of therapeutic artificial cells, which focuses on enzymatic activities to degrade waste products or to support the synthesis of biomolecules. A fundamental aspect that governs the success of continuous enzymatic reactions in capsosomes is the long-term stability of the liposomal subunits within the polymer hydrogel capsules at physiological conditions, as they are subject to degradation in the presence of lipases. In this study, the outer membrane of the capsosomes was PEGylated by immobilizing graft copolymers of poly(methacrylic acid) (PMA) and poly(ethylene glycol) (PEG), and the fouling characteristics of this carrier system were investigated by incubation with bovine serum albumin. The influence of PEGylation on the stability of the liposomal subcompartments in the presence of phospholipases in different media was assessed. Diffusion of lipases across the multilayered membrane of the carrier capsules was hindered when the capsules were coated with PEG molecules. Furthermore, the rate of degradation of the liposomal subunits in PEGylated capsosomes was found to be three times higher when the subcompartments were “free-floating” (i.e., not membrane associated) in the capsules. The outlined surface modification of capsosomes contributes to the development of these systems toward functional therapeutic artificial cells.
Measurement and prediction of diffusion coefficients of supercritical CO2 in molten polymers

The solubility and diffusivity of supercritical carbon dioxide (sc-CO2) in low-density polyethylene (LDPE), high-density polyethylene (HDPE), polypropylene (PP), ethylene-ethylacrylate copolymer (EEA) and polystyrene (PS) were measured at temperatures from 150°C to 200°C and pressures up to 12 MPa by using the Magnetic Suspension Balance (MSB), a gravimetric technique for gas sorption measurements. The solubility of CO2 in each polymer was expressed by Henry's constant. The interaction parameter between CO2 and polymer could be obtained from the solubility data, and it was used to estimate the Pressure-Volume-Temperature relationship and the specific free volume of polymer/CO2 mixtures. The diffusion coefficients were also measured by the MSB for each polymer. The resulting diffusion coefficients were correlated with the estimated free volume of polymer/CO2 mixture. Combining Fujita's and Maeda and Paul's diffusion models, a model was newly developed in order to predict diffusion coefficients for the polymers studied. Polym. Eng. Sci. 44:1915–1924, 2004. © 2004 Society of Plastics Engineers.
High- /Metal-Gate Stack and Its MOSFET Characteristics

We show experimental evidence of surface phonon scattering in the high- dielectric being the primary cause of channel electron mobility degradation. Next, we show that midgap TiN metal-gate electrode is effective in screening phonon scattering in the high- dielectric from coupling to the channel under inversion conditions, resulting in improved channel electron mobility. We then show that other metal-gate electrodes, such as the ones with n+ and p+ work functions, are also effective in improving channel mobilities to close to those of the conventional SiO /poly-Si stack. Finally, we demonstrate this mobility degra- dation recovery translates directly into high drive performance on high- /metal-gate CMOS transistors with desirable threshold voltages.
Momentum, heat, and neutral mass transport in convective atmospheric pressure plasma-liquid systems and implications for aqueous targets

There is a growing interest in the study of plasma-liquid interactions with application to biomedicine, chemical disinfection, agriculture, and other fields. This work models the momentum, heat, and neutral species mass transfer between gas and aqueous phases in the context of a streamer discharge; the qualitative conclusions are generally applicable to plasma-liquid systems. The problem domain is discretized using the finite element method. The most interesting and relevant model result for application purposes is the steep gradients in reactive species at the interface. At the center of where the reactive gas stream impinges on the water surface, the aqueous concentrations of OH and ONOOH decrease by roughly 9 and 4 orders of magnitude respectively within 50 μ ? >m of the interface. Recognizing the limited penetration of reactive plasma species into the aqueous phase is critical to discussions about the therapeutic mechanisms for direct plasma treatment of biological solutions. Other interesting results from this study include the presence of a 10 K temperature drop in the gas boundary layer adjacent to the interface that arises from convective cooling. Though the temperature magnitudes may vary among atmospheric discharge types (different amounts of plasma-gas heating), this relative difference between gas and liquid bulk temperatures is expected to be present for any system in which convection is significant. Accounting for the resulting difference between gas and liquid bulk temperatures has a significant impact on reaction kinetics; factor of two changes in terminal aqueous species concentrations like H2O2, NO2− ? >, and NO3− ? > are observed in this study if the effect of evaporative cooling is not included.
Effects of Processing (Boiling and Roasting) on the Nutritional and Antinutritional Properties of Bambara Groundnuts (Vigna subterranea [L.] Verdc.) from Southern Kaduna, Nigeria

This research analyzed the effect of processing (boiling and roasting) on the proximate, antinutrient, and mineral composition of Vigna subterranea seeds. The proximate composition analysis showed significant difference ( ) between the levels of crude lipid, crude fiber, gross energy, carbohydrate, and moisture content in the raw and processed V. subterranea. However, no significant difference ( ) was observed in protein content of processed V. subterranea as compared to the raw seeds. Analyses of antinutrient composition show that processing significantly reduced the levels of oxalate, tannins, phytate, trypsin inhibitor, and hydrogen cyanide contents of V. subterranea. While magnesium, potassium, and phosphorus were the most abundant macrominerals in V. subterranea, zinc was the most abundant micromineral. Correlation analysis revealed that the levels of crude protein, ash, moisture, and lipid were negatively affected by phytate, tannins, and oxalate. The results, therefore, suggest that processing significantly lowered the levels of antinutrients in V. subterranea, thereby making it safer for consumption.
Structure and chemistry of the Si(111)/AlN interface

We investigate the atomic structure and the chemistry of the Si(111)/AlN interface for an AlN film grown at low-temperature (735 °C) by metalorganic vapor phase epitaxy. A heterogeneous interface is formed from the alternation of crystallographically abrupt and partly amorphous regions. The polarity of the AlN film, along with the projected atomic structure of the crystalline interface, is retrieved using high-angle annular dark field imaging, and a model, based on these experimental observations, is proposed for the bonding at the interface. Electron energy-loss spectrum-imaging, however, also reveals a chemical intermixing, placing our growth conditions at the onset of SiNx interlayer formation.
Determination of the thickness and optical properties of a Langmuir film from the domain morphology by Brewster angle microscopy

A method employing Brewster angle microscopy was developed to measure the relative thickness of monolayers and multilayers at the air−water interface. Results proved that multilayers in ultrathin films of 8CB (4‘-n-alkyl[1,1‘-biphenyl]-4-carbonitrile; nCB, n = 8) are built up from one or two stacked bilayers on top of a monolayer at the air−water interface covered by a continuous bilayer. In addition, the fan texture of the mixed splay-bend disclination defects, which are formed in 10CB monolayers on reverse collapse of a continuous trilayer, was used to obtain estimates for the components of the anisotropic dielectric constant of the monomolecular film. This estimate was made by comparing experimental images with computationally generated model images based on an assumed director distribution around the defect. The results support the validity of the folding mechanism of multilayer generation and reverse collapse as opposed to the condensation mechanism. Finally, comparison of the experimental and theore.
New method to detect organic nanoparticles in live tissue

In recent years, infiltrating materials into the human body has become a great challenge many researches are facing. In medicine and cosmetics today, there are materials which are administrated to patients by injection only. The main challenge with topical medication is penetrating the skin barrier. The skin is an effective barrier between the body and the outside environment, which prevents foreign materials entering the body easily. However, reducing the size of the desired materials might help their skin penetration ability. Recently nanoparticles (NPs) are being evaluated for use in many fields like chemistry, biology, medicine, physics and optics. The technique used in this work for forming organic NPs (ONPs) is the application of sonic waves to an aqueous solution, known as sonochemistry. To investigate the physical penetration depth of ONPs into the human body, we first developed a novel optical technique for detecting NPs within tissues. The detection of NPs is done by the extraction and investigation of the reemitted light phase.
Magnet-assisted assembly of 1-dimensional hollow PtCo nanomaterials on an electrode surface

In this work, rapid and controllable confinement of one-dimensional (1D) hollow PtCo nanomaterials on an indium tin oxide (ITO) electrode surface was simply realized via magnetic attraction. The successful assembly was verified by scanning electron microscopy (SEM) and cyclic voltammetry, which showed that a longer exposure time of the electrode to the suspension of these 1D hollow nanomaterials (magnetic suspension) led to a larger amount of attached 1D hollow PtCo nanomaterials. The thus-prepared modified electrode was quite stable and displayed catalytic activity towards oxygen reduction, mainly by a four-electron process, as characterized by rotating ring-disk electrode (RRDE) experiments. Moreover, the catalytic activity can be tuned by tailoring the exposure time. This simple, rapid and controllable assembly method and excellent electrocatalytic activity of the PtCo hollow nanomaterials will make the thus-prepared modified electrode a potential candidate as an efficient and cheap cathode in low temperature fuel cells.