Miracle-dz/UniFAR-FTUs huggingface dataset:
Satellite structure in the X-ray photoelectron spectra of some binary and mixed oxides of lanthanum and cerium

A study of the core-electron X-ray photoelectron (X-p.e.) spectra of the f0 compounds La2O3, LaMO3(M = Fe and Co), CeO2, and BaCeO3 is described. Results on the chelate species [La(tmhd)3] and [Ce(tmhd)4](tmhd = 2,2,6,6-tetramethylheptane-3,5-dionato) are included for comparison. Special precautions have been taken to ensure an optimal degree of surface purity of the samples. Satellite structure has been observed for the 4p, in addition to the 3d and 4d, signals in both the lanthanum(III) and cerium(IV) compounds. These satellites arc discussed in terms of coexcitations of the charge-transfer type, principally O 2p→ metal 4f transitions. In the cerium(IV) oxides the satellites are apparently due to energy-gain (representing ‘ shake-down ’) rather than energy-loss (shake-up) processes.
Effect of Alkali Metal Ions on Alkaline Ethanolysis of 2-Pyridyl and 4-Pyridyl Benzoates in Anhydrous Ethanol

Pseudo-first-order rate constants (k obsd ) have been measured for nucleophilic substitution reactions of 2-pyridyl benzoate 5 with alkali metal ethoxides (EtOM, M = Li, Na, K) in anhydrous ethanol. The plots of k obsd vs. [EtOM] o are curved upwardly but linear in the excess presence of 18-crown-6-ether (18C6) with significant decreased k obsd values in the reaction with EtOK. The k obsd value for the reaction of 5 with a given EtONa concentration decreases steeply upon addition of 15-crown-5-ether (15C5) to the reaction medium up to ca. [15C5]/[EtONa] o = 1, and remains nearly constant thereafter, indicating that M + ions catalyze the reaction in the absence of the complexing agents. Dissection k obsd into k EtO - and k EtOM , i.e., the second-order rate constants for the reaction with the dissociated EtO - and the ion-paired EtOM, respectively has revealed that ion-paired EtOM is 3.2 - 4.6 times more reactive than dissociated EtO - . It has been concluded that M + ions increase the electrophilicity of the reaction center through a 6-membered cyclic transition state. This idea has been examined from the corresponding reactions of 4-pyridyl benzoate 6, which cannot form such a 6-membered cyclic transition state.
Flexible Display Technology – Opportunity and Challenges to New Business Application

Flexible displays have attracted much attention because they will be the key to open the next generation display market in the ubiquitous era. Many progressive prototypes of the flexible e-papers and the flexible AMOLEDs enable to have expectation that the early product of the flexible display will come into the market in the near future. In addition, it is expected that the remarkable development of the printing technologies and the organic electronics can realize the rollable, extremely low price, and even disposable displays. In this paper, the prospect of the flexible display, the technical issues, and the R&D status are briefly reviewed.
Variational data analysis of aerosol species in a regional CTM: background error covariance constraint and aerosol optical observation operators

A multivariate variational data assimilation scheme for the Multiple-scale Atmospheric Transport and CHemistry (MATCH) model is presented and tested. A spectral, non-separable approach is chosen for modelling the background error constraints. Three different methods are employed for estimating background error covariances, and their analysis performances are compared. Observation operators for aerosol optical parameters are presented for externally mixed particles. The assimilation algorithm is tested in conjunction with different background error covariance matrices by analysing lidar observations of aerosol backscattering coefficient. The assimilation algorithm is shown to produce analysis increments that are consistent with the applied background error statistics. Secondary aerosol species show no signs of chemical relaxation processes in sequential assimilation of lidar observations, thus indicating that the data analysis result is well balanced. However, both primary and secondary aerosol species display emission- and advection-induced relaxations.
High pressure study of a Zr-based bulk metallic glass and its composite

Abstract Energy dispersive X-ray diffraction was used to study the structural evolution of a bulk metallic glass (BMG) alloy and its composite with W particles under hydrostatic pressure. The diffraction data, especially the pair distribution function (PDF) of the BMG allowed the direct measurement of its elastic strain. The results suggest that PDF patterns of BMGs can be used to deducetheir strain evolution in composites as well as in monolithic form. Although the PDF method of strain measurement in amorphous alloys offers lower resolution compared to the analysis of Bragg reflections from crystalline materials, the PDF techique yields valuable information about the deformation of BMGs.
Expression of TLR2 in peripheral blood mononuclear cells and its correlation with interleukin-8 and tumor necrosis factor-α in patients with acne vulgaris

Objective To explore the role of Toll like receptor 2 （TLR2） in the pathogenesis of acne vulgaris. Methods Venous blood was collected from 30 normal human controls and 90 patients with acne vulgaris. The patients were equally divided into three groups, i.e., mild, moderate and severe groups, according to disease severity. Flow cytometry was performed to detect the expression of TLR2 in PBMCs, and double antibody sandwich ELISA to measure the levels of serum interleukin-8 （IL-8） and tumor necrosis factor-α （TNF-α）. Results A significant increase was observed in the expression of TLR2 in PBMCs, serum level of IL-8and TNF-α in the three groups of patients with acne vulgaris compared with the normal human controls （all P ＜0.01）. The expression of TLR2 was positively correlated with the expression of IL-8 （r=0.382, 0.517,0.436,respectively, all P＜0.05） and TNF-α（r=0.641, 0.725, 0.593, respectively, all P＜0.05） in the patients with mild, moderate and severe acne vulgaris, respectively, and with the severity of acne vulgaris （r = 0.406,P＜0.01 ）. Conclusion The expression level of TLR2 and related cytokines seems closely correlated with the severity of acne vulgaris. Key words: Acne vulgaris; Toll-like receptors; Interleukin-8; Tumor necrosis factor-α
General definition of ring puckering coordinates

A unique mean plane is defined for a general monocyclic puckered ring. The geometry of the puckering relative to this plane is described by amplitude and phase coordinates which are generalizations of those introduced for cyclopentane by Kilpatrick, Pitzer, and Spitzer. Unlike earlier treatments based on torsion angles, no mathematical approximations are involved. A short treatment of the four-, five-, and six-membered ring demonstrates the usefulness of this concept. Finally, an example is given of the analysis of crystallographic structural data in terms of these coordinates. Although the nonplanar character of closed rings in many cyclic compounds has been widely recognized for many years, there remain some difficulties in its quantitative specification. An important first step was taken by Kilpatrick, Pitzer, and Spitzer in their 1947 discussion of the molecular structure of cyclopentane. ' Starting with the normal modes of out-of-plane motions of a planar regular pentagon,* they pointed out that displacement of the j t h carbon atom perpendicular to the plane could be written 2 112 zj = (/'SI 4 COS (2+ + 4 n ( j 11/51 (11 where q is a puckering amplitude and $ is a phase angle describing various kinds of puckering. By considering changes in an empirical potential energy for displacements perpendicular to the original planar form, they gave reasons to believe that the lowest energy was obtained for a nonzero value of q (finite puckering) but that this minimum was largely independent of $. Motion involving a change in fi at constant q was described as pseudorotation. Subsequent refinement of this work has involved models in which constraints to require constant bond lengths are imposed3q4 and extensions to larger rings5-' and some heterocyclic systems are considered. * Although the correctness of the model of Kilpatrick, et a f . , I and the utility of the (q. $) coordinate system is generally accepted, application to a general five-membered ring with unequal bond lengths and angles is not straightforward. Given the Cartesian coordinates for the five atoms (as from a crystal structure), determination of puckering displacements z, requires specification of the plane z = 0. A least-squares choice (minimization of Zz i2) is one possibility, but the five displacements relative to this plane cannot generally be expressed in terms of two parameters q and $ according to eq 1. An attempt to define a generalized set of puckering cordinates which avoids these difficulties was made by Geise, Altona, Romers, and S~ndara l ingam. ~l ' Their quantitative description of puckering in five-membered rings involves the five torsion angles 0, rather than displacements perpendicular to some plane. These torsion angles are directly derivable from the atomic coordinates and are all zero in the planar form. They proposed a relationship of the form"
Electrospun nanofibers with dual plasmonic-enhanced luminescent solar concentrator effects for high-performance organic photovoltaic cells

We fabricated dual functional electrospun (ES) nanofibers by a coaxial electrospinning technique for enhancing the organic photovoltaic (OPV) device efficiency. The nanofibers contained poly[2,7-(9,9-dihexylfluorene)-alt-4,7-(2,1,3-benzothiadiazole)] (PFBT) nanoparticles as the luminescent solar concentrator (LSC) and Ag nanoparticles for the surface plasmon resonance (SPR) effect. Aligned- and crossed-fiber architecture patterns were fabricated to compare the effects of the architecture on the OPV efficiency. The plasmonic-enhanced LSC ES nanofibers with crosslinked poly(methacrylic acid) could be directly integrated into the conventional OPV configuration without sacrificing the coverage area of the active layer. In addition, the in situ reduction of Ag nanoparticles simultaneously enhanced the exciton generation of PFBT and the active materials with the SPR effect. The dual functional ES nanofibers with a crossed-pattern embedded into OPV devices provided significant light harvesting through down conversion and enhanced exciton generation. They led to PCE values of 4.11 and 7.12% for P3HT (poly(3-hexylthiophene)) : PC61BM ([6,6]-phenyl C61-butyric acid methyl ester) and PTB7 (polythieno[3,4-b]-thiophene-co-benzodithiophene) : PC71BM ([6,6]-phenyl C71-butyric acid methyl ester) ([6,6]-phenyl) photovoltaic cells, respectively, which are 18% enhancements compared to their parent devices. This interface-modification approach using plasmonic-enhanced LSC ES nanofibers provides a new approach for enhancing the OPV device performance.
DISCOVERY OF THE SECOND WARM CARBON-CHAIN-CHEMISTRY SOURCE, IRAS15398 − 3359 IN LUPUS

We have conducted a search for carbon-chain molecules toward 16 protostars with the Mopra 22 m and Nobeyama 45 m telescopes, and have detected high excitation lines from several species, such as C4H (N = 9–8), C4H2(J = 100,10–90,9), CH3CCH(J = 5–4, K = 2), and HC5N(J = 32–31), toward the low-mass protostar, IRAS15398 − 3359 in Lupus. The C4H line is as bright as 2.4 K measured with the Nobeyama 45 m telescope. The kinetic temperature is derived to be 12.6 ± 1.5 K from the K = 1 and K = 2 lines of CH3CCH. These results indicate that the carbon-chain molecules exist in a region of warm and dense gas near the protostar. The observed features are similar to those found toward IRAS04368+2557 in L1527, which shows warm carbon-chain chemistry (WCCC). In WCCC, carbon-chain molecules are produced efficiently by the evaporation of CH4 from the grain mantles in a lukewarm region near the protostar. Our data clearly indicate that WCCC is no longer specific to L1527, but occurs in IRAS15398 − 3359. In addition, we draw attention to a remarkable contrast between WCCC and hot corino chemistry in low-mass star-forming regions. Carbon-chain molecules are deficient in hot corino sources like NGC1333 IRAS4B, whereas complex organic molecules seem to be less abundant in the WCCC sources. A possible origin for such source-to-source chemical variations is suggested to arise from the timescale of the starless-core phase in each source. If this is the case, the chemical composition provides an important clue to explore the variation of star formation processes between sources and/or molecular clouds.
Validação dos parâmetros aeróbio e anaeróbio a partir de protocolo não invasivo aplicado ao exercício resistido - supino reto

The purpose of this study was to investigate the validity of critical force test from maximal lactate steady state (MLSS) during resistance test using straight bench press. Five healthy male volunteers aged (22.6 ± 2.88 years), weight (76.3 ± 11.49 kg) e height (182.6 ± 7.54cm), trained in resistance exercise, and performed four diferent test to determine: one maximal effort (1RM), critical force using the critical power model (force vs 1/time limit 20, 25 and 30% 1RM). The CF was the linear coefficient and the anaerobic impulse capacity (CIA) was the angular. MLSS was determined using loads of 80, 90, 100 and 110% of critical force. Blood lactate samples were abtained at each 300sec between each stage of total 1200sec. Maximal 30s test (M30) was accomplished with load of 25% of body weight in SBP. The results showed that the 1 RM was 79.4 Kgf (± 16.98), CF 10.1N (± 2.25), CIA 1756.82 N.s (± 546.96) and the R2 0.984 (± 0,02). The MLSS occurs at 100% CF load. The lactate concentration at the MLSS was 2.2 mmol/L (± 0.77). Significant correlation was observed between MLSS and CF on SBP (r = 0.88 p = 0.05). In M30 the minimum, mean and peak power were (25.0 ± 4.9, 28.0 ± 4.9, and 30.0 ± 4.6 kgf.rps, respectively). The fatigue index was 18.0% (± 6,8). The M30 was significantly correlated with Ppeak and Pmean (r = 0.98 for both, p = 0.003). The CF means has been validated to predict the resistance training and the CIA show to be a representative anaerobic parameter in straight bench press.
Étude de la réduction du traumatisme intracochléaire par l'optimisation de l'axe d'insertion lors de l'implantation cochléaire

La chirurgie de l'implantation cochleaire a pour but d'inserer le porte-electrodes dans la cochlee en respectant au maximum les structures intracochleaires. Ce geste va permettre de stimuler directement les cellules ganglionnaires du nerf cochleaire pour rendre une audition utile chez les patients. La partie basale de la cochlee permet de definir un axe d'insertion du porte-electrodes. Dans notre premiere etude, nous avons observe que ces caracteristiques anatomiques particulieres rendent difficile la representation mentale de l'axe. Dans notre deuxieme etude, nous avons observe que seul un systeme robotise automatise a permis de s'aligner avec precision avec cet axe d'insertion. Dans notre troisieme travail, nous avons observe qu'une insertion dans l'axe optimal permettait de diminuer le traumatisme intracochleaire par rapport a un axe errone, le nerf facial est une structure qui ne permet pas une insertion selon l'axe ideal et oblige une insertion selon un axe optimal. Dans notre quatrieme travail, en utilisant une technique optimisee, nous avons montre une diminution du traumatisme par rapport a la technique conventionnelle d'insertion. Bien que la relation entre l'axe d'insertion et les resultats auditifs n'ait pas ete formellement demontree, nous avons constate dans un travail realise en parallele au laboratoire, chez l'animal, une relation entre traumatisme intracochleaire et les resultats auditifs. L'essentielle de ce travail permet de demontrer le role important de l'axe d'insertion au cours de l'implantation cochleaire et les avantages d'une approche robotisee lors de l'implantation cochleaire.
Modeling the Buildup of Polyelectrolyte Multilayer Films Having Exponential Growth

Two types of polyelectrolyte multilayer films have been reported in the literature. These are (i) films whose mass and thickness increase linearly as the number of deposited bilayers increases and (ii) films that grow exponentially. We present a model for the buildup of exponentially growing films that allows a discussion of the behavior of them in a unified manner. This model is based on the diffusion both in and out the whole film of part of the chains of at least one of the polyelectrolytes constituting the multilayer. In short, the film is brought into contact with the solution of polyelectrolytes that are able to diffuse into the film. Inside of the film, chains of this polyelectrolyte constitute the “free” chains. At the subsequent rinsing step, some of them diffuse outward from the film. The remaining chains leave the film as it is brought into contact further with the polyelectrolyte solution of opposite charge. As the “free” chains reach the film/solution interface, they are complexed by the poly.
Palladium nitrate—magnesium nitrate modifier for electrothermal atomic absorption spectrometry. Part 3. Determination of mercury in environmental standard reference materials

A single addition of 15 µg of palladium is sufficient for 40–60 determinations of mercury if the graphite tube is not heated to temperatures higher than 1500 °C in the cleaning step. A pyrolysis temperature of 400 °C can be used without any loss of mercury, and a characteristic mass of 0.1 ng of mercury was obtained for an atomization temperature of 1000 °C. Interferences caused by high sodium chloride concentrations could be eliminated by using a mixture of 95% argon and 5% hydrogen as the purge gas. Mercury could be determined accurately in Aquatic Plant, Albacore Tuna, River Sediment and Coal Fly Ash reference materials.
Effects of Rice Kernel Thickness on Head Rice Yield Reduction Due to Moisture Adsorption

This study investigated the effects of rice kernel thickness on equilibrium moisture content (m.c.), and the reduction in head rice yield of separated kernel thickness fractions due to moisture adsorption. Thicker kernels retained on screen Nos. 24 and 23 attained slightly lower average equilibrium m.c. than kernels retained on screen No. 5 when exposed to uniform desorption conditions following harvest. Thicker kernels also produced dramatically higher head rice yields than thinner kernels. Results showed that thicker kernels, which comprised about 50% of rice bulk, were relatively more susceptible to reduction in head rice yields from moisture adsorption in comparison with thinner kernels.
QuEChERS and soil analysis. An Overview.

Abstract This paper reviews the Quick Easy Cheap Effective Rugged Safe (QuEChERS) methods used for the analysis of several pollutants in soil. The recent advances made with this method are discussed.The analysis of pesticide residues and other analytes in soil requires the extraction of analytes from this matrix. Following extraction, a clean-up procedure may be performed, if necessary, prior to instrumental analysis. This review considers all aspects of sample preparation, including extraction and cleanup. Several parameters are discussed in extraction optimization namely: soil type and sample amount, hydration, solvent of extraction QuEChERS content, extraction time and agglomeration prevention. In addition, method performance characteristics in soil studies are critically discussed.
Formation of polyaromatic hydrocarbon (PAH)-quinones during the gas phase reactions of PAHs with the OH radical in the atmosphere

Environmental context Atmospheric quinones present a potential toxic risk to human health because of their involvement in the generation of reactive oxygen species. Gas phase reactions of naphthalene and phenanthrene with the OH radical are investigated in a laboratory reaction chamber to provide a preliminary assessment of the importance of the atmospheric formation of quinones. Abstract In light of the potential toxicity of quinones (QNs) to human health, previous studies carried out measurement of QNs in ambient air samples and from motor vehicle emissions to understand the characteristics and the sources of QNs in the atmosphere. The major compounds observed in the ambient air samples comprised two and three benzene rings and included polyaromatic hydrocarbon (PAH)-quinones (PAH-QNs) such as 1,2-naphthoquinone (1,2-NQ), 1,4-naphthoquinone (1,4-NQ), 9,10-phenanthrenequinone (9,10-PQ) and 9,10-anthraquinone (9,10-AQ). Although these PAH-QNs are found in vehicular emissions, they may also be formed by the photochemical reactions of gas phase PAHs with atmospheric oxidants. In this study, to allow an assessment of the importance of the atmospheric formation of PAH-QNs and to understand more clearly the sources of PAH-QNs in the atmosphere, the formation yields of PAH-QNs from the gas phase reactions of naphthalene and phenanthrene with the OH radical were observed in a laboratory reaction chamber. In addition, the phase distribution of the PAH-QNs was determined. For naphthoquinones (NQs), the formation yields of 1,4-NQ and 1,2-NQ were 1.5±0.4 and 5.1±2.7% respectively. The measured yields of PQs were 3.6±0.8% for 9,10-PQ and 2.7±1.1% for 1,4-PQ. From the measured yield data, the atmospheric formation of PAH-QNs was estimated and the importance of the atmospheric formation of PAH-QNs from the gas phase reaction of PAHs with the OH radical is discussed.
Simulating the Physiological Phase of Hydrated DPPC Bilayers: The Ester Moiety

Abstract The charge on the ester oxygen of the sn2 group of the dipalmitoylphosphatidylcholine (DPPC) has a remarkable effect on the square area per lipid in simulations of a hydrated bilayer. This is in contrast to simulations of nonpolar, neutral lipids, where it has been found to have little effect. The charges associated with the GROMOS96 45A3 and 45A4 biomolecular force fields have been previously shown to cause significant membrane shrinkage. We find that the use of larger charges at the ester groups alone (as opposed to on all the polar moieties in the head group) remedies the shrinkage. The source of this effect in DPPC lies in the fact that the charge distribution of this polar group profoundly influences its free energy of hydration and, correspondingly, the water distribution around it. In an attempt to rationally tune the ester parameters, the repulsive Lennard–Jones parameters that represent the van der Waals interaction have been refined to reproduce the experimental density and heat of vaporization, and the charges of the ester groups have been tuned to reproduce the experimental free energies of hydration of a series of alkane esters. The new parameters form part of the GROMOS96 53A5 and 53A6 force fields. However, with the new force‐field parameters, the area per lipid in simulations of hydrated DPPC bilayers lies below that of the physiological liquid‐crystalline phase, the implications of which are discussed.
White light emission from Eu-doped SiOC films

Bilayers consisting of two SiOC films doped with Eu at different concentrations have been synthesized by magnetron cosputtering. The proper choice of annealing temperature allows us to avoid Eu diffusion and clustering, so that each layer maintains its optical properties. Under these conditions, the bilayer allows us to take advantage of the dependence of the photoluminescence peak position on the Eu concentration, so that an intense white emission is obtained at room temperature. This finding constitutes relevant progress towards the realization of efficient Si-based white light sources, which can be of great interest for applications in photonics or solid-state lighting.