Miracle-dz/UniFAR-FTUs huggingface dataset:
TUNGSTEN TRIOXIDE HYDRATE INCORPORATED NAFION COMPOSITE MEMBRANE FOR PROTON EXCHANGE MEMBRANE FUEL CELLS OPERATED ABOVE 100°C

A new composite membrane is fabricated by incorporating tungsten trioxide hydrate into Nafion to be employed as a candidate electrolyte for proton exchange membrane fuel cells (PEMFCs) operated above 100°C. Thermal behavior and proton conductivity of the composite membrane are studied by means of thermogravimetric/differential thermal analyis (TG/DTA) and AC impedance measurements, respectively. These results demonstrate that the thermal stability of the composite membrane has no appreciable change when compared with the native Nafion membrane. The proton conductivity of the composite membrane is found to be better than that of the native Nafion membrane at high temperature and lower relative humidity. When the composite membrane is used as an electrolyte in H2/O2 PEMFC under the operating conditions of 110°C, 1.36 atm gas pressure, and 70% relative humidity, the observed current density value at 0.4 V is 1.5 times higher than that of the cell employing native Nafion membrane as an electrolyte.
Breakdown probability and size effect in liquid helium

Breakdown statistics in liquid helium have been evaluated in order to correlate with size effect degradation, i.e. the area and the volume effect, respectively. Reprocessing large number of data sets yielded the popular two parameter Weibull distribution not being representative; more sophisticated functions, e.g. the Gompertz function had to be used in order to fit the data. A considerable amount of data were found to be not homogeneous, and a sum of 2-parameter Weibull subdistributions had to be defined. These results are discussed in detail. No formal straightforward correlation with the known size effect could be established. Special emphasis has been attributed to the low breakdown probability limit in order to meet engineering design needs. There seems to be a kind of threshold, but size degradation cannot be ruled out, and long term performance has still to be proven.
QUALI-QUANTITATIVE ANALYSIS OF EIGHT ROSMARINUS OFFICINALIS ESSENTIAL OILS OF DIFFERENT ORIGIN. FIRST REPORT

Aim. It is well known that the pharmacological activity of essential oils depends on their major components, which may vary enormously. The aim of the present study was to determine the chemical composition of samples of essential oil of rosemary of different origins, in order to identify the main therapeutic constituents, according to European Pharmacopoeian (EP). Material and Methods. Analytical GC/MS was carried out on a total of eight samples of essential oil of rosemary: seven samples were commercial products from producers located in different geographical areas; the last sample was prepared in our labo- ratory from fresh flowering terminal sprigs of rosemary collected in Siena’s Province. results. The most representative constituents of the essential oils tested, were 1,8-cineole and camphor. Other components also occurred in significant quantities in some samples, for example and α- and β-pinene, limonene and caryophyllene, in- dicating clear phytochemical differences among samples. discussion. The high quantity of eucalyptol and camphor detected in the samples made them particularly suited for treating minor respiratory disorders. Eucalyptol is expectorant and liquefies bronchial secretions; camphor increases the interval bet- ween inspiration and expiration and increases the activity of the parasympathetic nervous system, facilitating respiration. On the other hand, the essential oils analyzed by us were not suitable for perfume production, because they contained little or no positive aromatic components.
Phonon spectra of quaternary Cd1–yZny S1–xSex semiconductor nanocrystals grown in a glass matrix

Quaternary Cd1–yZnyS1–xSex nanocrystals are obtained in a borosilicate glass matrix by solid-state precipitation at temperatures within 625 to 700 °C. Raman spectroscopy is applied to determine the nanocrystal composition and to show its dependence on the heat treatment temperature and duration. Diffusion-induced migration of Zn ions from the matrix to the NCs results in its content increase up to ∼20% at the heat treatment; meanwhile for Se-rich NCs an increase of Se content is also observed. (© 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Liquid−Liquid and Liquid−Liquid−Solid Equilibrium of the Poly(ethylene glycol) Dimethyl Ether 2000 + Sodium Sulfate + Water System

The phase diagram for the poly(ethylene glycol) dimethyl ether (PEGDE) + Na2SO4 + H2O system at 298.15 K using PEGDE with a molar mass of 2000 was determined. Compositions of the liquid−liquid and the liquid−liquid−solid equilibria were determined using calibration curves of refractive index of the solutions, and atomic absorption (AA) and X-ray diffraction analyses were made on the solids. The solid phase in equilibrium with the biphasic region was anhydrous Na2SO4. An empirical nonlinear three-parameter expression developed by Merchuk was used for reproducing the experimental binodal data at T = (288.15, 298.15, 308.15, and 318.15) K, and the fitting parameters were obtained for the corresponding temperatures. The effects of temperature on the binodal curve were also studied, and it was observed that the area of the biphasic region increased slightly with an increase in temperature. The experimental tie-line compositions at the aforementioned temperatures were fitted to both the Othmer−Tobias and Bancro.
Zur Chemie des Dimesityleisens. XI. Reaktion von Dimesityleisen mit β-Diketonen – Strukturen von Bis(diethylether)-bis(1,3-diphenylpropan-1,3-dionato)eisen(II) und Poly[bis(2,2,6,6-tetramethylheptan-3,5-dionato)eisen(II)-μ-(1,4-dioxan)]

Die Umsetzung von Tetramesityldieisen, Fe2Mes41, mit β-Diketonen im Verhaltnis 1 : 4 ergibt die Diketonatoeisenkomplexe [Fe(diketonat)2]. Aus 1 und Dibenzoylmethan (Hdbm) sowie Dipivaloylmethan (Hdpm) wurden [Fe(dbm)2(OEt2)2] und [{Fe(dpm)2(μ-dioxan)}n] hergestellt und ihre Strukturen bestimmt. Chemistry of Dimesityl Iron. XI. Reaction of Dimesityl Iron with β-Diketones – Structures of Bis(diethylether)-bis(1,3-diphenylpropane-1,3-dionato)iron(II) and Poly[bis(2,2,6,6-tetramethylheptane-3,5-dionato)iron(II)-μ-(1,4-dioxan)] Reactions of tetramesityl diiron, Fe2Mes41, with β-diketones in the molar ratio of 1:4 form the diketonate complexes [Fe(diketonate)2]. Acidolysis of 1 with 1,3-diphenylpropane-1,3-dione (Hdbm) forms [Fe(dbm)2(OEt2)2] and with 2,2,6,6-tetramethylheptane-3,5-dione the coordination polymer [{Fe(dpm)2(μ-dioxane)}n] is obtained. The crystal structures of both complexes are presented.
Rotation barriers in crystals from atomic displacement parameters

Atomic displacement parameters (ADPs) from X-ray diffraction studies are analysed to yield mean-square liberation amplitudes and rotation barriers for cyclopentadienyl rings in 22 different environments in crystalline ferrocene, nickelocene, and ruthenocene. The results agree well with estimates obtained by various spectroscopic methods. In principle, the ADP method may be applied to experimental data at a single temperature; thus the temperature-dependence of rotation barriers in crystals can be followed. Among the other advantages of the ADP method is the resolution of different motions for symmetry-independent rotors. Analysis of ADPs seems to be a valuable complement to other methods of studying molecular motion in the solid state.
Hydrogen Bonds between Acidic Protons from Alkynes (C–H···O) and Amides (N–H···O) and Carbonyl Oxygen Atoms as Acceptor Partners

Crystals of tert-butyl (2S)-2-(prop-2-yn-1-ylcarbamoyl)pyrrolidine-1-carboxylate (Boc-L-Pro-NHCH2CCH) have been obtained. The title compound crystallizes easily as sharp needles in orthorhombic system, space group P 21 21 21 with a = 9.2890(2), b = 9.7292(2), c = 15.7918(4) A, V = 1427.18(6) A3, and Z = 4. The main feature of the structure is the orientation of the carbamate and amide. Their dipoles add up and the molecule displays an electric dipole moment of 5.61 D from B3LYP/6-31G(d) calculations. The antiparallel H bonding of amides and the alignment of dipoles induce columnar stacking (the dipole moment along the columnar a axis is 4.46 D for each molecule). The other components across the other axes are, therefore weaker, (3.17 D and 1.23 D along the b and c axes, resp.). The resulting anisotropic columns pack side by side, in an antiparallel fashion mostly by (alkyne) CH···O=C (carbamate) interactions.
Compositional Modeling and PVT Analysis of Pressure Maintenance Effect in Gas Condensate Field: Comparative Study

Development of gas-condensate fields is accompanied with condensate dropout. The storage of liquid condensate in the reservoir reduces the condensate recovery factor and well productivity. The highest liquid saturation is observed in the near-well zone. This causes decreasing gas relative permeability and a high pressure drop in the near-well zone. Consequently the productivity of well is reduced. The effect of different injection gases (CH4, C02, N2, separator gas) to maintain reservoir pressure and decrease the hydrocarbon liquid saturation in the near-well zone was simulated in this study. This cleaning of the near-well zone was simulated on the one-well radial simulation model. The model has a good conducting layer with low storage of gas. Consequently the gas flow to the well from the main part of reservoir (matrix) is through this layer. Such a model can describe the pressure and fluid properties distribution for a well producing from a fractured reservoir. Before the simulation of gas injection, long term production until the reservoir pressure falls below the dew point was simulated. After that, relatively short gas injections were applied. This is the basis for an evaluation of the effects of different injection gases in increasing the well productivity. The simulations were performed using compositional models. It allows us to get the components distribution in both gas and liquid hydrocarbon phases which is essential for evaluating increased condensate recovery technologies in gas condensate fields. The reservoir fluid composition was taken from a real Russian gas-condensate field. PVT modeling was performed using ECLIPSE PVT (Shlumberger Geoquest) and MRS PVT (ONICS, Russia). The EOS systems were corrected to match laboratory data before they were used in compositional simulation.
Application of semiconductor photocatalysis for organic synthesis: From photons to the process

In photocatalysis light drives the reactions. When a semiconductor, such as titania, is exposed to light of a specific wavelength range, several physical processes occur and chemical reactions can take place at its surface in the presence of a reactant. This technology works well for wastewater and air cleaning applications. In these, trace hazardous compounds present in water and air are converted (i.e. completely oxidized) to harmless ones such as carbon dioxide and water. A novel area where photocatalysis might be applied is in organic synthesis as a possible alternative for the current energy intensive processes. In this case the objective is to selectively steer the reaction to a certain product, valuable for the bulk chemistry industry. For the case of the selective oxidation of cyclohexane using air as oxidant, the photocatalytic route has shown great potential for cyclohexanone production, which is a very valuable compound in the Nylon industry. The process is very selective but catalyst stability and activity are the major challenges. This work shows how challenging this field is in terms of improving cyclohexanone production and it gathers, in a unique way, several disciplines (e.g. photo-physics, catalytic surface chemistry) otherwise seen apart. In this way not only the catalytic but also the photo-physical events occurring in such a complex process can be better understood and correlated with the overall performance. An optimized catalyst morphology together with the usage of humid air as oxidant resulted in more stable catalysts, providing a breakthrough in this field and bringing the practical application of semiconductor photocatalysis for liquid phase organic synthesis a step closer to reality.
Effect of seed‐placed fertilizer on the emergence (germination) of soybeans (Glycine max L.) and snapbeans (Phaseolus vulgaris L.)

Abstract Field trials were established on a loamy fine sand and a silt loam using snapbeans and soybeans as test crops, respectively. Row fertilizer was placed with the seed (seed‐placed). Treatments were arranged in a 3×3×3 factorial experiment, and N, P, and K were applied in all combinations at three rates (0, 3.4, and 6.8 kg/ha). Ammonium nitrate (AN), monoammonium phosphate (MAP), concentrated superphosphate (CSP) and potassium chloride (KCl) were used as sources of N, P and K. Additional treatments compared MAP with diammonium phosphate (DAP) and KCl with potassium nitrate (KNO3). The salt index of each treatment was inversely related to emergence, i.e. as the salt index increased, the emergence decreased. Level of N was more important than level of P or K in regards to reduction in emergence. Snapbeans grown on a loamy fine sand were extremely sensitive to damage from seed‐placed fertilizer, even at rates as low as 3.4 kg/ha of N, P or K. Soybeans planted on a silt loam soil were less sensitive tha.
Benchmarking Offensive and Abusive Language in Dutch Tweets

We present an extensive evaluation of different fine-tuned models to detect instances of offensive and abusive language in Dutch across three benchmarks: a standard held-out test, a task- agnostic functional benchmark, and a dynamic test set. We also investigate the use of data cartography to identify high quality training data. Our results show a relatively good quality of the manually annotated data used to train the models while highlighting some critical weakness. We have also found a good portability of trained models along the same language phenomena. As for the data cartography, we have found a positive impact only on the functional benchmark and when selecting data per annotated dimension rather than using the entire training material.
Field evaluation of the Analyst® passive sampler for the determination of formaldehyde and acetaldehyde in indoor and outdoor ambient air

The performance of the Analyst® passive sampler for the measurement of formaldehyde and acetaldehyde was assessed in a series of field experiments. It consists of a polyethylene cylinder filled with silica gel or a Florisil® adsorbent and a stainless steel or a silver anti-turbulence net which works as an ozone scrubber. Indoor and outdoor formaldehyde and acetaldehyde concentrations were measured in different locations (offices and rooms of a public building, a car, laboratories and private homes) of Ciudad Real (Spain) and Rome (Italy). In some cases, Radiello® passive samplers were used along with Analyst®, in order to compare and validate the results. The performance of the Analyst® device was also assessed by checking some parameters such as the diffusive sampling rate of acetaldehyde and the storage stability after collection and the self-consistency for both formaldehyde and acetaldehyde. From this work, it can be concluded that the Analyst® sampler is suitable for measuring formaldehyde and acetaldehyde in indoor and outdoor air.
Preparation and properties of transparent conductive aluminum-doped zinc oxide thin films by sol–gel process

Highly conductive and transparent aluminum-doped zinc oxide thin films have been prepared from the solution of zinc acetate and aluminum nitrate in ethanol by the sol–gel process. The effect of changing the aluminum-to-zinc ratio from 0 to 5 at. % and annealing temperature from 0 °C to 700 °C in air has been investigated. The resistivities of thin films were measured as a function of annealing temperature and also as a function of aluminum dopant concentration in the solution. As-deposited films have high resistivity and high optical transmission. Annealing of the as-deposited films in air leads to a substantial reduction in resistivity. The films have a minimum value of resistivity of 1.5×10−4 Ω cm for 0.8 at. % aluminum-doped zinc oxide and a maximum transmission of about 91% when deposited on glass substrates. X-ray diffraction measurements employing Cu Kα radiation were performed to determine the crystallinity of the ZnO:Al films which showed that the films were polycrystalline with a hexagonal struct.
Thermal and X‐ray analysis of polymorphic crystals, melting, and crystalline transformation in poly(butylene adipate)

Polymorphic crystals and complex multiple melting behavior in an aliphatic biodegradable polyester, poly(butylene adipate) (PBA), were thoroughly examined by wide-angle X-ray diffraction (WAXD) and differential scanning calorimetry (DSC). Further clarification on mechanisms of multiple melting peaks related to polymorphic crystal forms in PBA was attempted. More stable α-form crystal is normally favored for crystallization from melt at higher temperatures (31–35 °C), or upon slow cooling from the melt; while the β-form is the favored species for crystallization at low temperatures (25–28 °C). We further proved that PBA crystallization could also result in all α-form even at low temperatures (25–28 °C) if it crystallized with the presence of prior α-form nuclei. PBA packed with both crystal forms could display as many as four melting peaks (P1 ˜ P4, in ascending temperature order). However, PBA initially containing only the α-crystal exhibited dual melting peaks of P1 and P3, which are attributed to dual lamellar distributions of the α-crystal. By contrast, PBA initially containing only the β-crystal could also exhibit dual melting peaks (P2 and P4) upon scanning. While P2 is clearly associated with melting of the initial β-crystal, the fourth melting peak (P4), appearing rather broad, was determined to be associated with superimposed thermal events of crystal transformation from β- to α-crystal and final re-melting of the new re-organized α-crystal. Crystal transformation from one to the other or vice versa, lamellae thickening, annealing at molten state, and influence on crystal polymorphism in PBA were analyzed. Relationships and mechanisms of dual peaks for isolate α- or β-crystals in PBA are discussed. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 1662–1672, 2005
VTCC-NLP at SemEval-2023 Task 6:Long-Text Representation Based on Graph Neural Network for Rhetorical Roles Prediction

Rhetorical Roles (RR) prediction is to predict the label of each sentence in legal documents, which is regarded as an emergent task for legal document understanding. In this study, we present a novel method for the RR task by exploiting the long context representation. Specifically, legal documents are known as long texts, in which previous works have no ability to consider the inherent dependencies among sentences. In this paper, we propose GNNRR (Graph Neural Network for Rhetorical Roles Prediction), which is able to model the cross-information for long texts. Furthermore, we develop multitask learning by incorporating label shift prediction (LSP) for segmenting a legal document. The proposed model is evaluated on the SemEval 2023 Task 6 - Legal Eval Understanding Legal Texts for RR sub-task. Accordingly, our method achieves the top 4 in the public leaderboard of the sub-task. Our source code is available for further investigation\footnote{https://github.com/hiepnh137/SemEval2023-Task6-Rhetorical-Roles}.
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

A comprehensive overview of the equation of motion coupled‐cluster (EOM‐CC) method and its application to molecular systems is presented. By exploiting the biorthogonal nature of the theory, it is shown that excited state properties and transition strengths can be evaluated via a generalized expectation value approach that incorporates both the bra and ket state wave functions. Reduced density matrices defined by this procedure are given by closed form expressions. For the root of the EOM‐CC effective Hamiltonian that corresponds to the ground state, the resulting equations are equivalent to the usual expressions for normal single‐reference CC density matrices. Thus, the method described in this paper provides a universal definition of coupled‐cluster density matrices, providing a link between EOM‐CC and traditional ground state CC theory.Excitation energy,oscillator strength, and property calculations are illustrated by means of several numerical examples, including comparisons with full configuration interaction calculations and a detailed study of the ten lowest electronically excited states of the cyclic isomer of C4.
Synthesis of Silylated Derivatives of a Layered Polysilicate Kanemite with Mono-, Di-, and Trichloro(alkyl)silanes

Interlayer modification of a layered polysilicate kanemite was performed by silylation with mono-, di-, and trichloro(alkyl)silanes. The introduction of silyl groups into the interlayer region was confirmed by XRD, IR, 13C NMR, and 29Si NMR. The layered structures of the silylated products were confirmed by swelling behavior upon adsorption of n-alkyl alcohols. The amounts of attached alkylsilyl groups varied with the number of functional groups as well as the alkyl chain length in the silylating agents. The products modified with alkyltrichlorosilanes exhibited various interlayer structures due to the different arrangements and/or conformations of the alkyl chains, depending on the chain lengths. The BET surface areas were relatively large (up to ∼480 m2 g-1) when short-chain alkyltrichlorosilanes were used, and decreased substantially to nonporous structures with increasing chain length. In addition to the inherent six-membered rings in the single layered silicate sheets of kanemite, new five- and six-m.
Single-step method for hydrogen isotope ratio measurement of water in porous media

The standard zinc reduction technique for stable hydrogen isotope analysis has been modified to a single-step method which enables rapid measurement of the deuterium to hydrogen (/sup 2/H//sup 1/H) ratio in water from porous media. The novel feature of the method is microdistillation of water from the porous medium within the zinc reduction tube. The need for such a technique arose from a requirement for /sup 2/H//sup 1/H ratio measurement on microliter quantities of water from unsaturated porous media. Conventional methods using reduction of water over zinc or uranium require free water which must be extracted from the porous medium by either immiscible fluid displacement, vacuum distillation, azeotropic distillation, or squeezing. Each of these methods is time-consuming, can present extraction difficulties at low water content, and may lead to isotope fractionation where phase changes occur during the extraction procedure. Because the technique presented here requires only 100-300 mg, of sample (5-30 mg of water, depending on water content) it has a wide application to experimental studies of water movement in porous media using water either artificially enriched in deuterium or of natural abundance. The authors have used the method successfully in field and laboratory experiments at both environmental and enrichedmore » concentrations of deuterium. The method is equally applicable to saturated porous media and also gives a measure of the water content of the sample. « less
Investigations of triolein under high pressure

Investigations have been performed to demonstrate phase transitions in triolein subjected to high hydrostatic pressure. During compression, carried out at room temperature, sharp changes of volume in the investigated samples were detected at about 320 MPa. During decompression a giant hysteresis of this phenomenon was observed. A large decrease of permittivity during changes of volume, connected with phase transition, was observed. A phase diagram for the pressure range up to 1 GPa is proposed. The dependence of static permittivity and dielectric loss as a function of applied pressure and their correlation with volume changes are presented.