Miracle-dz/UniFAR-FTUs huggingface dataset:
Nanometer patterning of InP using aerosol and plasma etching techniques

By the application of aerosol techniques for the deposition of well‐defined particles of silver in combination with methane‐based electron cyclotron resonance plasma etching, we have been able to fabricate nanometer sized columns of InP. Silver particles are produced via homogeneous nucleation out of silver vapor saturated nitrogen gas from a tube furnace at around 1100 °C and, after size selection, deposited on the surface of InP. Scanning electron microscope images show that equally sized particles of silver, with an effective diameter in the range 20–40 nm, can be generated and deposited on the semiconductor. In a dry etching process applied subsequently we transfer vertically the feature of the particles into the InP material underneath producing free‐standing columns of InP with diameters as small as 50 nm.
Measuring nicotinic receptors with characteristics of α4β2, α3β2 and α3β4 subtypes in rat tissues by autoradiography

Comparison of [125I]epibatidine and 5‐[125I]iodo‐3‐(2‐azetidinylmethoxy)pyridine ([125I]A‐85380) autoradiography showed evidence for nicotinic receptor heterogeneity. To identify the receptor subtypes, we performed [125I]epibatidine autoradiography in the presence of cytisine or A‐85380. By comparing these results with binding data from human embryonic kidney (HEK) 293 cells stably transfected with different combinations of rat nicotinic receptor subunits, we were able to quantify three distinct populations of [125I]epibatidine binding sites with characteristics of α4β2, α3β2 and α3β4 receptors. Although the predominant subtype in rat brain was α4β2, non‐α4β2 binding sites were prominent in many regions. In the habenulo‐peduncular system, cerebellum, substantia gelatinosa, and many medullary nuclei, α3β4‐like binding accounted for more than 40% of [125I]epibatidine binding, and nearly all binding in superior cervical ganglion and pineal gland. Other regions enriched in α3β4‐like binding included locus ceruleus, dorsal tegmentum, subiculum and anteroventral thalamic nucleus. Regions enriched in α3β2‐like binding included the habenulo‐peduncular system, many visual system structures, certain geniculate nuclei, and dopaminergic regions. The combination of autoradiography using a broad spectrum radioligand in the presence of selectivecompetitors, and data from binding to defined receptor subtypes in expression systems, allowed us to quantify the relative populations of these three subtypes.
PHOTOIONIZATION STUDIES OF MANGANESE CLUSTERS : IONIZATION POTENTIALS FOR MN7 TO MN64

The photoionization spectra of manganese clusters consisting of between seven and sixty-four atoms have been measured near threshold. As for other transition metal clusters previously investigated, the ionization potentials (IPs) decrease rapidly but nonmonotonically up to n≅20 and more slowly and smoothly beyond that. No correlation is observed between Mnn IPs and their reactivity toward molecular hydrogen, reported previously by Parks et al. [J. Chem. Phys. 104, 3531 (1996)]. In particular, the absence of any discontinuity in IP at Mn16 suggests that the onset of reactivity toward hydrogen noted at that size is not due to a sudden change in electronic structure (e.g., a nonmetal-to-metal transition), but rather to a change in cluster geometry.
The Photolysis of Water Vapor

The photolysis of water vapor has been studied in a flow system at rates up to 5 mole hr—1 and at temperatures up to 540°K under the influence of hydrogen discharge radiation around 1650 A. The products H2, O2 and H2O2 varied in amounts and proportions depending on the geometry of the system. Rapid removal of the products of photolysis from the reaction zone to a liquid N2 trap favored H2O2 production. Resultantly the quantum yield also varied with the geometry of the system, values from 0.03 to 0.3 were obtained. He as a diluent caused a decrease in H2O2 production. Added H2 reduced H2O2 production tenfold, accounted for by its reaction with OH. A mechanism is discussed which is substantiated by a study of the dependence of the reaction rates on light intensity.
Ionic Liquids--Solvents of the Future?

Ionic liquids are composed entirely of ions. Because of the wide range of possible binary and ternary ionic liquids, they offer a potentially wide range of solvent properties. In their Perspective, Rogers and Seddon review recent progress on developing new ionic liquid solvents for use in chemical synthesis, catalysis, fuel cells, and other applications. Ionic liquids are considered advantageous not only because of their versatility but also for their "green" credentials, although it is important to remember that not all ionic liquids are environmentally benign. One industrial process has been reported, and others may not be far behind. The authors conclude that in the next decade, ionic liquids are likely to replace conventional solvents in many applications.
Evaluation of Spiking Procedures for the Introduction of Poorly Water Soluble Contaminants into Soil

The purpose of this study was to assess the suitability of various spiking procedures for the introduction of persistent organic pollutants (POPs) into soil environments. 14C-radiolabeled analogues of two representative polycyclic aromatic hydrocarbons (PAHs), phenanthrene (Phe), and benzo[a]pyrene (B[a]P), were introduced into soil using different spiking techniques, and the homogeneity of compound distribution in subsamples was assessed. It was established that under analogous spiking procedures dry soil could be spiked with greater homogeneity than wet soil. The procedure which gave the most homogeneous distribution of compound involved a single spiking/rehydration operation conducted on dry soil. Relative standard deviations of 2.40% for 14C-9-Phe and 3.65% for 14C-7-B[a]P were obtained for this procedure. An optimum procedure for the spiking of wet soil was established, giving relative standard deviations of 4.1% for 14C-9-Phe and 3.7% for 14C-7-B[a]P. This procedure employed a highly spiked wet soil.
Degradation of L-Ascorbic Acid and Mechanism of Non-enzymic Browning Reaction:Part I. Browning Reactivities of L-Ascorbic Acid and of Dehydro-L-Ascorbic Acid

INTRODUCTION L-Ascorbic acid (ASA) is widely used in manufacture of many food products for the purpose mainly to inhibit browning, but sometimes discoloration due to ASA is observed in lemon1) or orange2) juice of high ASA content. Though some extensive studies3,4) have been reported on the subject, browning of ASA is still unknown in many respects. It is generally accepted that reductones play an important role in nonenzymic browning reaction such as sugar amino reaction, but their exact role in the reaction is still unknown. Since ASA is a typical aci-reductone,5) it is worth while to investigate the browning reaction of ASA to elucidate the mechanism of non-enzymic browning reaction. In the presence of oxygen, ASA is known to degrade to dehydro-L-ascorbic acid (DHA) in the first step. Therefore studies on browning of DHA or mixtures of ASA and DHA are needed to elucidate browning of ASA. As for browning of DHA described in some literatures, there are some discrepancies which are undoubtedly due to the impurity of DHA used. DHA used in previous studies was
Biophysics of the Generation of EMG Signals

This chapter describes the basic concepts of generation and detection of EMG signals. Specific emphasis is devoted to the generation of muscle fiber action potentials at the fiber end plates, their propagation along the sarcolemma, and their extinction at the tendons. The chapter addresses the topics of crosstalk between nearby muscles and selectivity of the recording systems. It discusses the relationships between muscle force and the surface EMG. The EMG signal is generated by the electrical activity of the muscle fibers active during a contraction. The signal sources are the depolarizing and repolarizing zones of the muscle fibers. EMG signal features depend on a number of anatomical, physical, and detection system parameters. Considering all the factors related to the volume conductor and the signal sources that influence the characteristics of the EMG signal, a reliable relation between EMG amplitude and force needs a subject specific and condition specific calibration.
Application of the New Generation Tetrazolium Salt (XTT) for the Enumeration of Hydrocarbon Degrading Microorganisms Using the Most Probable Number Method

The objective of this study was to evaluate the performance of two tetrazolium indicators: a traditional one: INT and a new generation one: XTT, for the estimation of hydrocarbon (HC) degrading microorganism’s density using the Most Probable Number Technique (MPN). Ninety six composite soil samples were taken and analyzed from Ecorregión Cafetera Colombiana. Degrading microorganisms were recovered in minimum salt medium with saturated HC atmosphere. Degrading HC capacity of the microorganisms was confirmed by successive subcultures in the same medium using diesel as only carbon source. Counts obtained with the two salts were not significantly different (Student t test, p<0,05) but XTT allowed an easier visualization of positive wells due to product solubility of the reduce product. A greater percentage of isolates was obtained using XTT (67%), which suggests that salt type is relevant for recovering of these microorganisms. Additionally, cell detection limit, optimal conditions of XTT concentration and incubation times for detection of activity were evaluated. This evaluation was performed by means of microplate format for hydrocarbon degrading microorganisms using Acinetobacter sp. An inhibitory effect was observed in the recovering of cultivable cells when XTT concentrations increased from 0,5 mM to 2 mM. Incubation time favored this recovering. Detection limit of this technique was established at 102 UFC/ml. Production of the XTT-formazan was positively related with initial cell concentration and negatively with incubation time.
Molecular dynamics simulation of the graphene–water interface: comparing water models

In this work, different water models (i.e. SPC/E, TIP3P, TIP4P/2005, TIP5P, SPC/Fw, TIP4P/2005f and SWM4_DP) are implemented to simulate water on neutral, negatively charged and positively charged graphene. In all cases ambient conditions are considered. Structural and dynamical properties for water are calculated to quantify the differences among various water models. The results show that SPC/E, TIP4P/2005, SPC/Fw, TIP4P/2005f and SWM4_DP water models yield a similar structure for interfacial water on graphene, whether it is neutral, negatively charged or positively charged. TIP5P is the model whose predictions for the structure of the interface deviate the most from those of the other models. Although qualitatively the results are for the most part similar, a large quantitative variation is observed among the dynamical properties predicted when various water models are implemented. Although experimental data are not available to discriminate the most/least accurate of the model predictions, our results could be useful for comparing results for interfacial water obtained implementing different models. Such critical comparison will benefit practical applications such as the development of energy-storage and water-desalination devices (e.g. electric double-layer capacitors), among others.
An overview of recent advances in HPLC instrumentation

This review highlights the fundamentals and the most prominent advances in the field of HPLC instrumentation over the last decades. Fundamental aspects and practical considerations of column switching, conventional (heart-cut) and comprehensive two-dimensional LC are presented. Different aspects of microcolumn- and nanoliquid-chromatography are reviewed. Recent progress in column technology and the demands and developments in instrumentation and accessories for miniaturized LC are also discussed. In the field of miniaturization, particularly in chip-based nano-LC systems, some aspects on micro-fluidic chip fabrication, using particle-packed HPLC microchips or polymer-based monoliths, are addressed. An introduction to ultra performance LC (UPLC) is also presented.
Two New Xanthones in the Underground Part of Calophyllum inophyllum.

From the root bark of Calophyllum inophyllum L. (Guttiferae), a new xanthone named caloxanthone C (1) and 4-hydroxyxanthone (2), and from the heartwood of root, a new xanthone 1-hydroxy-2-methoxyxanthone (3) in addition to three known xanthones [1,2-dimethoxy-(4), 2-hydroxy- 1-methoxy-(5)], and 6-deoxyjacareubin (6) were isolated. The structures were characterized by means of a spectroscopic analysis
Precision dispersion compensation for ultra-broadband bi-photons using a prism-pair with negative separation

The Brewster prism-pair is a major tool for dispersion control that produces tuned negative dispersion even when the prisms material has positive dispersion. We present a complementary technique for obtaining overall positive dispersion even when the material dispersion is negative, which is most useful for applications in the infrared, where the majority of the optical materials have negative dispersion. By adding a telescope between the prisms that images the first prism beyond the location of the second one, an effectively negative separation between the prisms can be obtained. This ability to flip the sign of the angular dispersion between the prisms provides a powerful new knob to the prism-pair system and allows higher degree of dispersion compensation. We demonstrate a prism-pair configuration, where both the 2nd and 4th order dispersion are compensated in the 1400-2400nm range, designed for a quantum optics experiment with ultra-broadband bi-photons. c 2014 Optical Society of America OCIS codes: 140.7090, 230.5480 Since the introduction of the Brewster prism-pair as a mechanism for dispersion control [1], it became a major tool for tuned dispersion compensation in ultrafast optical systems. Specifically, a prism-pair is commonly used to compensate for second-order dispersion (group delay dispersion - GDD). The angular dispersion that is created by the separation between the prisms tips always introduces negative GDD, even when the prisms material produces positive GDD. Thus, any negative dispersion can be achieved by the appropriate separation between the prisms; and tuned dispersion can be achieved by controlling the amount of prism material in the beam.
Line Mixing In Infrared Atmospheric Spectra

The phenomenon of line mixing in infrared vibration-rotation spectra and its impact on atmospheric transmission and radiative transfer is discussed. Line mixing, which is often also termed line coupling, occurs when rotationally inelastic collisions cause transitions among overlapping spectral lines. These collisional transitions can produce, in extreme cases, an overall narrowing of the blended profile of the coupled lines and can dramat-ically lower the absorption in the wing of a vibration-rotation band. Laboratory spectra exhibiting line mixing in both Q-branch and R-branch spectra of CO2 are examined. Methods for the calculation of line mixing in atmospheric spectra are discussed, including methods for dealing with temperature dependencies. Observations of line mixing in both limb and nadir viewing atmospheric spectra are presented.
Solvent molecular dynamics in regions of hydrophobic hydration

We present a dynamical analysis of the solvent in an aqueous solution of two nonpolar atomic solutes which are constrained to an interatomic distance corresponding to a solvent‐separated free energy minimum. The results are obtained from a molecular dynamics simulation using ST2 model water. Molecular mobility for solvent near the solutes is seen to be retarded, as evidenced in translational diffusion and rotational reorientation. These slower net motions are analogous to pure solvent dynamics at a temperature reduced by 10–15 °C. An analysis of intermolecular hydrogen bonding reveals that solvation shell molecules have correspondingly longer bond half‐lives compared to bulk molecules, by a factor of 1.5–2.0. The spectral densities for intermolecular vibrations are computed from translational and rotational velocity autocorrelation functions for shell and bulk motions. These densities are seen to correlate well with the local binding energy distributions.
Statistical Mechanics of Fluid Mixtures

Expressions for the chemical potentials of the components of gas mixtures and liquid solutions are obtained in terms of relatively simple integrals in the configuration spaces of molecular pairs. The molecular pair distribution functions appearing in these integrals are investigated in some detail, in their dependence upon the composition and density of the fluid. The equation of state of a real gas mixture is discussed, and an approximate molecular pair distribution function, typical of dense fluids, is calculated. Applications of the method to the theory of solutions will be the subject of a later article.
Tuning the Charge-Transfer Property of PbS-Quantum Dot/TiO2-Nanobelt Nanohybrids via Quantum Confinement

A newly designed photoactive nanohybrid structure based on the combination of near-infrared PbS quantum dots (QDs) as light harvester and one-dimensional TiO2 nanobelts (NBs) to guide the flow of photogenerated charge carriers is reported. Efficient electron transfer from photoexcited PbS QDs to TiO2 NBs has been demonstrated to occur in the developed PbS-QD/TiO2-NB nanohybrids, and the charge-transfer property can be tuned through the size quantization effect of PbS QDs. Moreover, the use of TiO2 NBs instead of TiO2 NPs permits a larger critical size of PbS QDs capable of injecting electrons into TiO2 NBs, which, in turn, markedly extends the “effective” absorption of the PbS-QD/TiO2-NB nanohybrids to a longer wavelength region up to 1400 nm. Such an extension of the “effective” absorption is a major asset for improving the overall photoconversion efficiency of PbS-QD/TiO2-NB nanohybrids-based photovoltaic devices.
Comprehensive Assessment of Bacterial Communities and Analysis of PCB Congeners in PCB-Contaminated Sediment with Depth

AbstractThe potential effectiveness and time scales for monitored natural attenuation of polychlorinated biphenyl (PCB)-contaminated sediments are difficult to predict. Little is known about the depth- and time-dependent dechlorination of PCBs and the microbial communities that give rise to dechlorination processes. The present work describes evaluation of a single sediment core from the Grasse River (Massena, New York) using a combination of molecular techniques to provide detailed insight of dechlorination potential. Primers specific for 16S rRNA genes from the bacterial domains, putative dechlorinating organisms in the phylum Chloroflexi, the Dehalococcoides genus, and two PCB degrading organism strains, o-17 and DF-1, were used to construct phylogenetic microbial community profiles using denaturing gradient gel electrophoresis (DGGE). Further, quantitative polymerase chain reaction (Q-PCR) was used to estimate population numbers of putative PCB-related organisms in the sediments along the depth of the.
Educação inclusiva no Colégio Militar de Brasília: avaliação do impacto da capacitação lato sensu no desempenho profissional dos concludentes

This study aims to evaluate the impact on the subsequent performance of professionals from the Colégio Militar de Brasília (CMB) who participated in lato sensu training in Inclusive Education. An applied research was conducted, with qualitative approach, descriptive purpose and also document analysis. The population of this study was the professionals who completed specialization in Special and Inclusive Education, who remain effective in the CMB, covering the period of the last five years. The survey covered the entire population, so there was no sampling forecast. The instrument for data collection was the Work Training Impact Self-Assessment Scale - Measure an Amplitude - (Abbad 1999), which had its items analyzed as a percentage. The analysis of the information indicated significant changes in the overall performance, motivation, self-confidence and responsiveness to changes in the work processes of the professionals who completed the training. The data collected provide feedback that this Training, Development and Education (TD&E) action has been effective and proves that training evaluation is an important tool in the People Management area and can be widely used in the Brazilian Army.
Effect of ELF e.m. fields on metalloprotein redox-active sites

The peculiarity of the distribution and geometry of metallic ions in enzymes pushed us to set the hypothesis that metallic ions in active-site act like tiny antennas able to pick up very feeble e.m. signals. Enzymatic activity of Cu2+, Zn2+ Superoxide Dismutase (SOD1) and Fe2+ Xanthine Oxidase (XO) has been studied, following in vitro generation and removal of free radicals. We observed that Superoxide radicals generation by XO is increased by a weak field having the Larmor frequency fL of Fe2+ while the SOD1 kinetics is sensibly reduced by exposure to a weak field having the frequency fL of Cu2+ ion.
Chemical reactions in the atmosphere as studied by the method of instantaneous rates

The photochemistry of ozone in the stratosphere was studied using the method of instantaneous rates. By a Monte Carlo method it is very improbable that random experimental errors in the basic kinetic constants are responsible for the failure of the classic Chapman mechanism and air transport to account for the natural O/sub 3/ balance. It is probable that the observed concentration of nitrogen dioxide in the stratosphere is sufficient to account for the natural O/sub 3/ balance. There is a strong latitude dependence on the sensitivity of stratospheric O/sub 3/ to catalytic destruction by the oxides of nitrogen. Considerations based on the classic photochemical sector method show that there is no average intensity over the diurnal cycle that is appropriate for stratospheric O/sub 3/. The crossover point between O/sub 3/ formation from the methane-nitrogen oxides smog reaction and O/sub 3/ destruction by NO/sub x/ catalysts occurs at about 13 km in temperature latitudes.
Geometry Optimization of Carbohydrate Binding Sites of Influenza: A Quantum Mechanical Approach

GRAPHICAL ABSTRACT The present study discusses the development of an algorithm to generate input files for quantum mechanical (QM) calculations from molecular dynamics (MD) trajectories of protein–carbohydrate complex simulations and QM optimization of binding-site residues of influenza hemagglutinin H1 along with its cell surface receptor sialyldisaccharides Neu5Acα(2→3)Gal (N23G) and Neu5Acα(2→6)Gal (N26G). Five frames from the local minima of MD trajectories were chosen for QM calculations. The geometry optimization was carried out by Gaussian09 software. The optimized geometries were analyzed, and the resultant ab initio molecular structures can be used for inhibitor design and therapeutics of influenza A virus.
Charge-transfer complexes in kraft lignin. Part 1, Occurrence

Abstract Charge-transfer complexes were found to occur between kraft lignin and an added model quinone, 3,5-di-tert-butyl-1,2-benzoquinone. The occurrence of charge-transfer interactions was also apparent in an oxidized kraft lignin with an increased quinone content. In these systems, free phenolic groups within the lignin were considered the donor species and ortho-quinones the complementary acceptor moieties. Carbon-14 labeling revealed that the quinone content of the investigated kraft lignin averaged 3%. These quinones were determined to have a molar absorptivity of 528 L/mol-cm. Upon sodium borohydride reduction of this lignin, only one-third of the absorbance decrease could be accounted for by this number of quinones. The remaining two-thirds of the decrease in absorbance was assigned to the disruption of charge-transfer complexes. The quinones, therefore, played a dual role as a chromophore by participating as acceptor species in these complexes.