Miracle-dz/UniFAR-FTUs huggingface dataset:
Fabrication of Flexible Organic Light-Emitting Diodes Using Transparent Clay Films as Substrate

We have fabricated flexible organic light-emitting diodes (OLEDs) using transparent clay films with high heat-resistance and gas-barrier properties. Flexible OLEDs with the structure of clay film/indium tin oxide (ITO)/N,N'-diphenyl-N,N'-(3-methylphenyl)-[1,1'-biphenyl]-4,4'-diamine (TPD)/tris(8-hydroxyquinolinato) aluminum (Alq3)/Al showed a turn-on voltage of around 7.2 V, a luminance efficiency of 2.7 cd A-1, and a luminance of 100 cd m-2 at 11.5 V. Results showed that the clay film is an excellent candidate for transparent flexible substrates for use in displays or other electronic applications.
Electrochemical determination of the effect of copper(ii) on the photochemical degradation of the pesticide metamitron

Summary The complexation of the pesticide Metamitron by copper was investigated by polarography, anodic stripping voltammetry and cathodic stripping voltammetry. The influence of the pH on the complexation was determined and a maximum value for the conditional stability constant of the copper‐metamitron complex (log β'=3.8) was obtained at pH 5.6. An investigation into the photochemical degradation of the pesticide demonstrated that copper decreases the degradation rate of metamitron by 15% within the first 30 days, due to stabilisation by complexation.
Photodecomposition ability of acicular typed TiO2 ultrafine powder with rutile phase in aqueous 4-chlorophenol solutions

Photo decomposition ability of ultra-fine rutile TiO2 powder was investigated using the photo-catalytic reaction in aqueous 1.0 mmol 4-chlorophenol (4CP) solutions with pH-controlled conditions. Its photo-catalytic characteristics were then compared with those of commercial P-25 powder having mainly anatase phase. When 4CP was completely decomposed by the photo-catalytic reaction, HPPLTed TiO2 powder was more effective than the P-25 powder regardless of the crystalline structures. As the photo-catalytic reaction time increased, the decomposition of 4CP in the aqueous solution was accompanied with much consumption of OH- ions. However, in the case of the aqueous solution at pH=4 naturally obtained by mixing of water and 4CP, the photo-catalytic reaction of the HPPLTed TiO2 powder occurred more actively, compared with in the cases of the more acidic and caustic aqueous solutions. Therefore, it is thought that the decomposition of non-degradable 4CP would take place well at a certain amount of OH- ion concentration in the aqueous solution, considering to show no difference in the adsorption of 4CP on the surface of TiO2 particle with various pHs of the solution, when the HPPLTed TiO2 powder with high surface areas more than 180 m2/g was used.
Slip effects on steady and transient stagnation-point heat transfer in axisymmetric geometries

Steady and transient heat convection in axisymmetric stagnation point flow with momentum and thermal slip effects are studied numerically for different flow parameters. The thermal response to time-dependent wall temperature variations in surface cooling and heating processes is analyzed in terms of temporal variations in the heat transfer coefficient, thermal jump, and fluid temperature at the surface. The transition time from an initial to a final steady state is also investigated over a range of slip factor and decay/growth rate of the wall temperature. A criterion in the form of a relation between Prandtl number and the specific heat ratio that characterizes the variation of the convective heat transfer coefficient with the slip factor is established. The results presented show that the convective heat transfer coefficient is less influenced by transient conditions as rarefaction increases. Higher Prandtl number flows are more influenced by transients. The transition time is found to increase with slip and decrease with the decay/growth rate of the wall temperature and is most influenced at relatively low values of both slip and decay/growth rate of the wall temperature.
Water and Component Mass Balances In the Catchment of Lake Stechlin

Surface water and groundwater are hydraulically connected in the Lake Stechlin catchment. Therefore, there is an urgent need to study unsaturated and saturated flow and related major ion transport processes and exchange with the surface water to analyse the influence on the aquatic chemistry, especially on calcite precipitation in the lake. Based on long-term measured hydrological data, in an integrated approach a steady-state regional groundwater model was developed and fluid mass balances were calculated. Chemical analyses show higher concentrations of major components (Na , K , Ca2+, Mg2+, Few, CI", S042", N03", HC03") in groundwater than in lake water. Based on the computed subsurface water balance it can be deduced that groundwater has a strong influence on the composition of the surface water, especially for Ca2+ and HCO3".
Esculetin Induces Apoptosis through Caspase-3 Activation in Human Leukemia U937 Cells

Esculetin, a coumarin compound, has been known to inhibit proliferation and induce apoptosis in several types of human cancer cells. However, the molecular mechanisms involved in esculetin-induced apoptosis are still uncharacterized in human leukemia cells. In this study, we have investigated whether esculetin exerts anti-proliferative and apoptotic effects on human leukemia U937 cells. It was found that esculetin could inhibit cell viability in a time-dependent manner, which was associated with the induction of apoptotic cell death such as increased populations of apoptotic- sub G1 phase. Apoptosis of U937 cells by esculetin was associated with an inhibition of Bcl-2/Bax binding activity, formation of tBid, down-regulation of X-linked inhibitor of apoptotic protein (XIAP) expression, and up-regulation of death receptor 4 (DR4) and FasL expression. Esculetin treatment also induced the degradation of -catenin and DNA fragmentation factor 45/inhibitor of caspase-activated DNase (DFF45/ICAD). Furthermore, a caspase-3 specific inhibitor, z-DEVD-fmk, significantly inhibited sub-G1 phase DNA content, morphological changes and degradation of -catenin and DEE45/ICAD. These results indicated that a key regulator in esculetin-induced apoptosis was caspase-3 in human leukemia U937 cells.
Deformation energy in martensitic transformation

In this paper, we prove that the total macroscopic deformation energy may be decomposed into two parts, namely, elastic energy due to external stress in the absence of transformation and internal interaction energy induced by transformation. We prove that internal interaction energy is a second order polynomial function of volume fraction of martensite lattice corresponding variants, and the total number of independent coefficient in this polynominal function is not more than the number of martensite lattice corresponding variants.
A evasão escolar numa universidade pública, no interior do Paraná - estudo de caso

School dropout is an educational problem as it is considered as student loss. This loss generates serious consequences in the social, economic and academic spheres, causing serious disturbances to the development of the subject and, more broadly, to the development of society. The present work seeks to answer the question that has generated anxieties and worries in the professionals involved: why do students abandon their courses? It is a descriptive and analytical research whose development was based on the analysis of documents and a questionnaire survey of the evaded students. The data obtained with the research reveal that the cause "Constant Reprobation" was indicated by 41.5% of the subjects responding to the questionnaire as determinant for their evasion. The elements highlighted here indicate the need for managers to create a system that identifies the problem, which is competitive in order to keep these students in the Institution, since most of the evaded continues to study in other Institutions and those that are outside the system, intend to resume their studies.
The relationship between IR, optical, and UV extinction.

An analysis is presented for the variability of absolute IR, optical, and UV extinction, A(sub lambda), derived through the ratio of total-to-selective extinction, R, for 31 lines of sight for which reliable UV extinction parameters were derived. These data sample a wide range of environments and are characterized by 2.5 is less than or equal to R is less than or equal to 6.0. It was found that there is a strong linear dependence between extinction expressed as A(sub lambda)/A(sub V) and 1/R for 1.25 micron is less than or equal to lambda is less than or equal to 0.12 micron. Differences in the general shape of extinction curves are largely due to variations in shape of optical/near-UV extinction corresponding to changes in R, with A(sub lambda)/A(sub V) decreasing for increasing R. From a least-squares fit of the observed R-dependence as a function of wavelength for 0.8/micron is less than or greater than 1/lambda is less than or equal to 8.3/micron, an analytic expression was generated from which IR, optical, and UV extinction curves of the form A(sub lambda)/A(sub V) can be reproduced with reasonable accuracy from a knowledge of R. It was also found that the absolute bump strength normalized to A(sub V) shows a general decrease with increasing R, suggesting that some fraction of bump grains may be selectively incorporated into coagulated grains. Finally, it was found that absolute extinction normalized by suitably chosen color indices results in a minimization of the R-dependence of portions of the UV curve, allowing A(sub lambda) to be estimated for these wavelengths independent of R.
A decision framework for selecting remediation technologies at hydrocarbon‐contaminated sites

Abstract A variety of remediation technologies are available to address hydrocarbon contamination, including free product recovery, soil venting, air sparging, groundwater recovery and treatment, and in situ bioremediation. These technologies address hydrocarbon contamination distributed between free, adsorbed, and dissolved phases in both the vadose and saturated zones. Selection of appropriate technologies is dependent on a number of factors, including contaminants, site‐specific characteristics, clean‐up goals, technology feasibility, cost, and regulatory and time requirements. This article describes a decision framework for selecting appropriate remediation technologies at hydrocarbon‐contaminated sites in a structured and tiered manner. Decision modules include (1) site characterization and product recovery; (2) vadosezone treatment: soil venting, bioremediation, and excavation; (3) saturated zone treatment: sparging, bioremediation, groundwater recovery, and excavation; and (4) groundwater treatment.
Outlier Prediction and Training Set Modification to Reduce Catastrophic Outlier Redshift Estimates in Large-scale Surveys

We present results of using individual galaxies’ probability distribution over redshift as a method of identifying potential catastrophic outliers in empirical photometric redshift estimation. In the course of developing this approach we develop a method of modification of the redshift distribution of training sets to improve both the baseline accuracy of high redshift (z > 1.5) estimation as well as catastrophic outlier mitigation. We demonstrate these using two real test data sets and one simulated test data set spanning a wide redshift range (0 < z < 4). Results presented here inform an example “prescription” that can be applied as a realistic photometric redshift estimation scenario for a hypothetical large-scale survey. We find that with appropriate optimization, we can identify a significant percentage (>30%) of catastrophic outlier galaxies while simultaneously incorrectly flagging only a small percentage (<7% and in many cases <3%) of non-outlier galaxies as catastrophic outliers. We find also that our training set redshift distribution modification results in a significant (>10) percentage point decrease of outlier galaxies for z > 1.5 with only a small (<3) percentage point increase of outlier galaxies for z < 1.5 compared to the unmodified training set. In addition, we find that this modification can in some cases cause a significant (∼20) percentage point decrease of galaxies which are non-outliers but which have been incorrectly identified as outliers, while in other cases cause only a small (<1) increase in this metric.
Global rigidity of some abelian-by-cyclic group
actions on 𝕋2

For groups of diffeomorphisms of $\T^2$ containing an Anosov diffeomorphism, we give a complete classification for polycyclic Abelian-by-Cyclic group actions on $\T^2$ up to both topological conjugacy and smooth conjugacy under mild assumptions. Along the way, we also prove a Tits alternative type theorem for some groups of diffeomorphisms of $\T^2$.
Anomalous thermodynamics in homogenized generalized Langevin systems

We study functionals, such as heat and work, along trajectories of a class of multi-dimensional generalized Langevin systems in various limiting situations that correspond to different level of homogenization. These are the situations where one or more of the inertial time scale(s), the memory time scale(s) and the noise correlation time scale(s) of the systems are taken to zero. We find that, unless one restricts to special situations that do not break symmetry of the Onsager matrix associated with the fast dynamics, it is generally not possible to express the effective evolution of these functionals solely in terms of trajectory of the homogenized process describing the system dynamics via the widely adopted Stratonovich convention. In fact, an anomalous term is often needed for a complete description, implying that convergence of these functionals needs more information than simply the limit of the dynamical process. We trace the origin of such impossibility to area anomaly, thereby linking the symmetry breaking and area anomaly. This hold important consequences for many nonequilibrium systems that can be modeled by generalized Langevin equations. Our convergence results hold in a strong pathwise sense.
Handling Cellwise Outliers by Sparse Regression and Robust Covariance

We propose a data-analytic method for detecting cellwise outliers. Given a robust covariance matrix, outlying cells (entries) in a row are found by the cellFlagger technique which combines lasso regression with a stepwise application of constructed cutoff values. The penalty term of the lasso has a physical interpretation as the total distance that suspicious cells need to move in order to bring their row into the fold. For estimating a cellwise robust covariance matrix we construct a detection-imputation method which alternates between flagging outlying cells and updating the covariance matrix as in the EM algorithm. The proposed methods are illustrated by simulations and on real data about volatile organic compounds in children.
Investigation on gold and aluminum contacts for Cd0.8Mn0.2Te crystals

We report measurements on the nature of gold (Au) and aluminum (Al) contacts with Cd1–xMnxTe (x = 0.2, CdMnTe) crystals grown by the vertical Bridgman method. Metal contacts were deposited on CdMnTe wafers through electroless Au, sputtered Au and evaporated Al. Current–voltage characterizations show that the as-deposited Au contacts are ohmic, while the as-deposited Al contacts are rectifying. The electroless Au contact is found to yield a more ohmic contact than the sputtered Au. The interfaces between Au and CdMnTe are studied by x-ray photoelectron spectroscopy (XPS), which shows that electroless Au is injected more into a CdMnTe sample than sputtered Au. Hall measurements reveal that the as-grown CdMnTe is of p-type conductivity, with a carrier concentration of (5 ± 1) × 1012 cm−3 and Hall mobility of 60 ± 5 cm2 V−1 s. The Schottky barrier height between Al and CdMnTe is measured by current–voltage (I–V) and capacitance–voltage (C–V) measurements, which reveal that the barrier heights are 0.793 ± 0.005 eV and 0.878 ± 0.002 eV, respectively. The Norde method is also used in order to extract the barrier height of the Al contact with CdMnTe and the value is found to be 0.813 ± 0.002 eV, which is in agreement with that obtained by the I–V method.
Electrospray‐deposited nickel ferrite thin film electrode for hydrogen production in PV‐assisted water electrolysis system

Nanocrystalline Ni ferrite thin film was prepared by electrospray deposition technique and characterized by different analytical techniques at different annealing temperatures. All these films were studied by photovoltaic‐assisted water electrolysis system for solar to hydrogen production efficiency measurement. Highly dense and uniform surface morphology was observed in as‐deposited film, which changed into agglomerated nanocrystalline grains of irregular size and shape with change in annealing temperature. The X‐ray photoelectron spectroscopy study showed that the as‐deposited film was a mixture of an oxyhydroxide form of iron and an Ni2O3 form of nickel, whereas it changed into ferrite phase with change in annealing temperature. The as‐deposited film was observed to be of amorphous phase, which changed to crystalline cubic spinel structure with change in annealing temperature. The solar to hydrogen production efficiency was found to increase in a film with an increase in annealing temperature. The film annealed at 500°C showed a high solar to hydrogen production efficiency (8.29%) with constant performance of up to initial 500 h. Thereafter, the performance slowly declined by 11% when up to 1000 h. Copyright © 2011 John Wiley & Sons, Ltd.
MOLECULAR MODELING STUDY OF BORIC ACID IMPRINTED POLYMER FOR QUARTZ CRYSTAL MICROBALANCE APPLICATION

Design of boric acid imprinted polymer has Been conducted using molecular modeling approach to fabricate thYn film for sensor applications on quartz crystal microbalance. The study was carried out to find an optimum mole ratio between boric acid as the template and methacrylic acid as functional monomer. Molecular modeling was performed using AM1 semiempirical – quantum mechanics on Hyperchem 8.0 software. The result showed was stabilite of supramolecular structure between boric acid and methacrylic acid on ratios of 1:3 and 1:6. Recommendation of boric acid imprinted polymer is suggested to synthesize on mole ratio of 1:3.
Molecular Dynamics Simulations of Octyl Glucoside Micelles: Dynamic Properties

Dynamic properties of octyl glucoside (OG) micelles were explored using molecular dynamics simulations. Systems studied included individual β-OG micelles containing 10, 20, 27, 34, 50, and 75 lipids; two 20 lipid β-OG micelles; a disperse solution of 27 β-OG; and four molecules of glucose. Calculated 13C NMR T1 relaxation times for the tail carbons of micelle aggregation numbers between 34 and 75 agreed well with experiment; these results are consistent with estimates of the micelle size based on translational diffusion. However, T1's for the headgroup carbons, which couple strongly with the solvent, were too large. This was primarily due to the low viscosity of the TIP3P water model, and subsequent scaling of the relaxation times led to agreement with experiment for the carbons in the glucose ring, but not the exocyclic carbon; the likely reason for the latter discrepancy is a torsional potential barrier that is slightly too high. A detailed analysis of the micelle dynamics revealed shape changes on the .
Effects of a tomato (Solanum lycopersicum) extract on the labeling of blood constituents with technetium-99m

Tomato (Solanum lycopersicum) is the second most produced and consumed vegetable in the world. It has been indicated in the prevention and treatment of cancer, asthma and atherosclerosis. Blood constituents labeled with radionuclides have been used in procedures in nuclear medicine. Data have shown that food and drugs can alter the labeling of blood constituents with technetium-99m (99mTc). This study evaluated the influence of a tomato extract on this radiolabeling procedure. Heparinized blood (Wistar rats) was incubated in vitro with different concentrations of a tomato extract and 99mTc-labeling was performed. Plasma (P) and blood cells (BC) were separated following soluble (SF-P/SF-BC) and insoluble (IF-P/IF-BC) fractions isolation by precipitation and centrifugation. The radioactivities on blood constituents (P, BC, IF-P, SF-P, IF-BC and SF-BC) were determined and the percentage of radioactivity (%ATI) was calculated. The tomato extract used at the highest concentrations (2.00 and 4.00g/mL), reduced significantly (p < 0.05) the %ATI in IF-P, although this extract did not modify the radiolabeling on BC, neither the radioactivity fixation on IF-BC. In conclusion, our data suggest that the chemical compounds present in the aqueous tomato extract could have some properties capable of change the fixation of 99mTc on plasma proteins.
Lipid Oxidation in Oil‐in‐Water Emulsions: Involvement of the Interfacial Layer

More polyunsaturated fats in processed foods and fewer additives are a huge demand of public health agencies and consumers. Consequently, although foods have an enhanced tendency to oxidize, the usage of antioxidants, especially synthetic antioxidants, is restrained. An alternate solution is to better control the localization of reactants inside the food matrix to limit oxidation. This review establishes the state-of-the-art on lipid oxidation in oil-in-water (O/W) emulsions, with an emphasis on the role of the interfacial region, a critical area in the system in that respect. We first provide a summary on the essential basic knowledge regarding (i) the structure of O/W emulsions and interfaces and (ii) the general mechanisms of lipid oxidation. Then, we discuss the factors involved in the development of lipid oxidation in O/W emulsions with a special focus on the role played by the interfacial region. The multiple effects that can be attributed to emulsifiers according to their chemical structure and their location, and the interrelationships between the parameters that define the physicochemistry and structure of emulsions are highlighted. This work sheds new light on the interpretation of reported results that are sometimes ambiguous or contradictory.
Spin transport of dibenzotetraaza[14]annulene complexes with first row transition metals

Based on spin-polarized first-principles density functional theory in conjunction with the nonequilibrium Green's function method, the spin transport properties of transition metal (TM)–dibenzotetraaza[14]annulene (DBTAA) complexes (TM = Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) sandwiched between two Au electrodes are investigated. The results show that Fe– and Co–DBTAA can display perfect spin filtering behavior in a wide bias voltage region. Moreover, it is found that the connected position of anchoring groups on the complexes affect significantly the spin filtering efficiency. The observed spin filtering behavior is explained by the spin-resolved transmission spectrum and molecular projected self-consistent Hamiltonian state analyses.
Crystallization processes in fats and lipid systems

Crystallization processes polymorphism and phase transitions of fatty acids and acylglycerols morphological connected net roughening transition theory - application to beta-2 crystals of triaclglycerols nucleation and growth in the solid-solid phase transitions of n-alkanes molecular interactions and phase behaviour of polymorphic fats the roles of emulsifiers in fat crystallization crystallization of oil-in-water emulsions fat crystal networks lipid crystallization and its effect on the physical structure of ice cream crystallization of palm oil and its fractions advances in milk fat fractionation - technology and applications crystallization properties of cocoa butter influences of colloidal state on physical properties of solid fats separation and crystallization of oleaginous constituents in cosmetics - sweating and blooming crystallization properties and lyotropic phase behaviour of food emulsifiers - relation to applications.