Miracle-dz/UniFAR-FTUs huggingface dataset:
Thin‐film palladium and silver alloys and layers for metal‐insulator‐semiconductor sensors

The addition of Ag to Pd in the gate metal of a metal‐insulator‐semiconductor gas sensing diode can improve the performance and change the selectivity of the sensors for a variety of reactions. Data on the response of diodes with 12 different ratios of Ag to Pd in alloys and layers of Pd and Ag to hydrogen and other gases are reported. Diodes with as much as 32% Ag respond very well to H2 gas and the films are much more durable to high hydrogen exposure than pure Pd films. Improvements in the rate of response and aging behavior are found for certain Ag combinations; others give poorer performance. The presence of Ag on the surface changes the catalytic activity in some cases and examples of H2 mixed with O2 and/or NO2, propylene oxide, ethylene, and formic acid are given. Such selectivity forms the basis for miniature chemical sensor arrays which could analyze complex gas mixtures.
Antioxidant Capacities and Main Reducing Substance Contents in 110 Fruits and Vegetables Eaten in China

The aim of this study was to screen strongly-antioxidant fruits and vegetables and supply practical diet guidance for the public. We used 1,1-diphenyl-2-picrylhydrazyl (DPPH), ferric-reducing antioxidant potential (FRAP), 2,2’-azino-bis-3-ethylbenzthiazoline-6-sulphonic acid (ABTS) and total reducing power (TRP) assays to investigate antioxidant activities in 110 fruits and vegetables. To analyze the correlation between antioxidant capacities and main reducing substance contents, total phenolic, flavonoid and vitamin C contents were assessed. The results showed great variation in antioxidant activity, and fifteen fruits and vegetables possessed the strongest antioxidant capacities: Toona sinensis, hawthorn, jujube, lotus root, persimmon, red plum, black plum, chilli pepper, star fruit, strawberry, blueberry, cherry, peach, pomegranate and great burdock. Total phenolic contents showed higher correlation with antioxidant capacity when using FRAP and TRP assays than when using the DPPH or ABTS assay. Phenolics and flavonoids, rather than vitamin C, contributed to antioxidant potential in most fruits and vegetables.
Evaluation of Dry Matter Loss, Nutritive Value, and In Situ Dry Matter Disappearance for Wilting Orchardgrass and Bermudagrass Forages Damaged by Simulated Rainfall

Throughout much of the southeastern USA, hay harvest can be complicated by a high probability of rainfall events that may cause damage to the resultant hay crop. The objectives of this study were to investigate the effects of simulated rainfall and two postrainfall drying methods on losses of dry matter (DM) and changes in nutritive value for wilting orchardgrass (Dactylis glomerata L.) and bermudagrass [Cynodon dactylon (L.) Pers. ] forages. Orchardgrass was wilted to moisture concentrations of 674 (WET), 153 (IDEAL), and 41 (DRY) g kg - 1 and subjected to 0,12, 25, 38, 51, 64, or 76 mm of simulated rainfall from a custom-built rainfall simulator. For IDEAL orchardgrass, DM loss reached a maximum of 88 g kg - 1 when 76 mm of simulated rainfall was applied. Dry matter loss, total N, and all fiber components except hemicellulose increased with rainfall amount, exhibiting single or multiple polynomial effects (P ≤ 0.048) in each case; however, responses were not consistent across these response variables. A second study was conducted with bermudagrass using similar techniques, except that the forage contained 761 (WET), 400 (MID), and 130 (IDEAL) g kg - 1 of moisture when simulated rainfall was applied. For IDEAL bermudagrass forage, DM losses increased in linear (P = 0.001) and quadratic (P = 0.003) relationships with simulated rainfall, but the maximum DM loss was only 21 g kg - 1 . For both forages, DM loss and deleterious changes in nutritive value generally increased with rainfall amount, but these responses appeared to be much greater for orchardgrass.
Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM‐41 Mesoporous Material Simulated by Large‐scale Periodic B3LYP Calculations

Amorphous silica is a key inorganic material, with applications in many fields such as cromatography, microelectronics, and metal-supported catalysis. Moreover, amorphous silica is the basic constituent of mesoporous ordered materials such as the molecular sieve MCM-41. These materials present high surface areas and high pore volumes, rendering them very attractive supports for adsorption or immobilization of biologically relevant molecules in confined spaces. Indeed, due to their regular pore distribution, they are excellent candidates for controlled-drug-delivery systems, which was evidenced for the first time by the confinement of ibuprofen in MCM-41 matrices. One important factor that determines the adsorption and subsequent release of a drug is its interaction with the pore wall, which in this case contains large amounts of silanol groups. Thus, it is crucial to possess detailed structural information at a molecular level of the typology and distribution of the silanol groups at the wall interface. Unfortunately, due to the amorphous nature of the walls, long-range order among
Amorphous Oxide Semiconductors for High-Performance Flexible Thin-Film Transistors

Recently, we have demonstrated the potential of amorphous oxide semiconductors (AOSs) for developing flexible thin-film transistors (TFTs). A material exploration of AOSs desired as the channel layer in TFTs is most important for developing high-performance devices. Here, we report our concept of material exploration for AOSs in high-performance flexible and transparent TFTs from the viewpoints of chemical bonding and electronic structure in oxide semiconductors. We find that amorphous In–Ga–Zn–O (a-IGZO) exhibits good carrier transport properties such as reasonably high Hall mobilities (>10 cm2·V-1·s-1) and a good controllability of carrier concentration from <1015 to 1020 cm-3. In addition, a-IGZO films have better chemical stabilities in ambient atmosphere and at temperatures up to 500 °C. The flexible and transparent TFT fabricated using a-IGZO channel layer at room temperature operated with excellent performances, such as normally-off characteristics, on/off current ratios (∼106) and field-effect mobilities (∼10 cm2·V-1·s-1), which are higher by an order of magnitude than those of amorphous Si:H and organics TFTs.
AES, XPS and EDS analyses of an iron‐based magnetic powder and an SMC material

A soft magnetic composite material was prepared from a commercial, iron‐based, soft magnetic powder. Its morphology and composition were examined using SEM, EDS and AES. The flat surface of the sample was found to be of a homogeneous composition, corresponding to the basic soft magnetic powder, whereas phosphorous and zinc were found in the subsurface layers of the sample. These were accessed and probed through the pores in the sample surface. AES and XPS analyses was also performed on non‐compressed soft magnetic powder particles, yielding phosphorous compounds. Copyright © 2004 John Wiley & Sons, Ltd.
Synthesis of metallocene catalysts supported on poly[p‐(silylene)phenylene] derivatives for the application to olefin polymerizations

The polymeric [Ind 2 Si(C 6 H 4 )] n and [Ind 2 Si(C 6 H 4 ) 2 ] m compounds (Ind = indenyl) were synthesized via the condensation reaction of bisindenyldichlorosilane and p-dilithiobenzene or p-dilithiobiphenyl, and the supported-type zirconocene catalysts were prepared by reacting them with zirconium tetrachloride. The content of zirconium in the catalysts is much higher than that in the metallocene catalysts supported by inorganic compounds. Polymerizations of ethene and propene were conducted with them using methylaluminoxane (MAO) or ordinary alkylaluminiums as cocatalysts and toluene as the solvent. The catalysts combined with MAO display very high activities especially for the ethene polymerization. From the polymerization at high temperatures, it was found that the active species are markedly stabilized, probably due to the rigid backbones of the carriers. The activity of the catalysts activated with ordinary alkylaluminiums is far less as compared with those activated with MAO.
Phytotoxicity due to the agricultural use of urban wastes. Germination experiments

The inhibitory effect on germination by the organic fraction of different urban wastes was studied in two experiments: on barley (Hordeum vulgare L cv Reinete) seeds in petri dishes and on ryegrass (Lolium perenne L cv Argo) seeds in containers. The urban wastes were mixed with a calcareous soil. Fresh sewage sludge almost totally inhibited germination of barley seeds when used as substrate; fresh municipal solid waste also inhibited germination, although to a lesser degree. Both inhibitory effects were less pronounced when the products had been composted previously. Similar results were obtained when the experiments were carried out with water extracts although overall inhibition was less. Correlation between germination indices and various parameters of the products used showed that the highest indices were obtained when the organic matter of the samples was the most stable (a smaller proportion of labile carbon, carbon extracted with Na1P2O7, carbon precipitated at pH 2 and water soluble carbon in the materials and extracts). Inhibition was greater when there were greater quantities of NH−4, polyphenols and organic acids of low molecular weight. Yields of ryegrass obtained from high doses of urban wastes (180 t ha −1) mixed with a calcareous soil were less than those of the control at the first harvest, these yields being influenced negatively by the same factors as above; at the second harvest the yields with most of the products used were higher than those of the control, probably as a result of their maturation in the soil. When the water extracts of the products were added to the soil, no significant differences from the control were noted at the first harvest.
Effect of water-miscible solvents on the organic solvent-resistant tyrosinase from Streptomyces sp. REN-21

The effect of various water-miscible organic solvents (ethanol, methanol, acetone, acetonitrile, N,N-dimethylformamide (DMF) and dimethylsulfoxide (DMSO)) on the kinetics of 4-tert-butylcatechol (tBC) oxidation in the presence of different samples of organic solvent-resistant tyrosinase (OSRT) has been studied. In contrast to mushroom tyrosinase the enzyme shows a high relative stability in solutions of organic solvents and increased activity toward the bulky and hydrophobic substrate, tBC, in respect to catechol. Rates of the studied OSRT-catalyzed reactions are however reduced by the presence of organic solvents and for all studied samples of OSRT decrease exponentially with the content of an organic solvent. The effect has been satisfactorily described by the effect of organic solvents on the thermodynamic activity of tBC. The correlation of the inhibition parameters with the hydrophobicity of a particular solvent (log P), its intrinsic molar volume, Vi, and the Dimroth–Reichardt parameter, ET(30), are shown. The results allow also the prediction of OSRT activity in aqueous solutions of water-miscible organic solvents. Copyright © 2003 Society of Chemical Industry
Predicting Land Use Impacts on Regional Scale Groundwater Recharge and Discharge

The paper presents the development and evaluation of methods that estimate recharge and discharge, water flow, and salt fluxes in rivers. The methods in combination provide an inferential framework to predict dryland salinity and the selection of the appropriate management scenarios. Hydrogeomorphic Analysis of Regional Spatial Data (HARSD) was used for delineating hydrogeologically homogenous units, and to translate limited hydrological data into hydraulic head surfaces and ultimately a steady state flow net representing recharge-discharge relationships. A complex, physically based water, energy, and carbon model (WAVES) was developed and tested to provide recharge estimates required for the flow net simulations. Remote sensing imagery and analysis techniques involving airborne, advanced very high resolution reflectance (AVHRR) and LANDSAT-Thematic Mapper (TM) data were used to infer the temporal and spatial patterns of leaf area index (LAI) and land-cover type. The techniques were applied in 22 subcatchments in the Loddon and Campaspe and for the two major catchments. Modeled recharge was consistent with local estimates based on inverse methods and with subcatchment-scale estimates based on stream salt loads under a steady-state assumption. The calibrated flow nets for each of the subcatchment have been used to test the sensitivity of this system to changes in recharge resulting from land use change. It is shown, for example, that the Upper Campaspe subcatchment would require the reforestation of key recharge areas totaling 45% of the subcatchment to reduce salt loads from approximately 25 000 Mg yr -1 down to 18 000 Mg yr -1 under steady state assumption.
Three-Component Reaction of Triphenylphosphine, Dialkyl Acetylenedicarboxylate, and 2-Aminothiazole or 2-Aminobenzothiazole in the Presence of Arylglyoxals: An Efficient One-Pot Synthesis of Highly Functionalized Pyrroles

Abstract A new and efficient one-pot synthesis of polysubstituted pyrrole derivatives by three-component reaction of dialkyl acetylenedicarboxylates, triphenylphosphine, 2-aminothiazole or 2-aminobenzothiazole in the presence of arylglyoxals is described. The reactions were performed in dichloromethane at room temperature and neutral conditions and afforded good yields of products. GRAPHICAL ABSTRACT
Pilot survey for determination of the antifouling agent Irgarol 1051 in enclosed seawater samples by a direct enzyme-linked immunosorbent assay and solid-phase extraction followed by liquid chromatography-diode array detection

The determination of Irgarol 1051 in enclosed seawaters from the Mediterranean Spanish Coast was accomplished by a recently developed enzyme-linked immunosorbent assay (ELISA). The results achieved with ELISA were compared with those obtained by an automated on-line solid-phase extraction (SPE) system (Prospekt) followed by liquid chromatography-diode array detection (LC-DAD). LC-grade and seawater samples spiked with an unknown amount of Irgarol were analyzed with both techniques. Cross-reactivity experiments were carried out in order to assess the influence of other compounds present in the water samples in the quantitation of Irgarol. Detection limits of 0.020 and 0.001 μg/L were achieved after the analysis of seawater samples by ELISA and after preconcentration of 240 mL of seawater with SPE-LC-DAD, respectively. The monitoring survey using both techniques took place during 1996-1997 with monthly sampling at the enclosed coastal Mediterranean area with levels ranging from 0.007 to 0.325 μg/L. In addition, diuron was also detected by LC-DAD in most of the samples with levels varying from 0.01 to 0.18 μg/L. To avoid false positive determinations, the confirmation of Irgarol and diuron was accomplished by liquid chromatography-atmospheric pressure chemical ionization-mass spectrometry (LC-APCI-MS) detection.
Effect of Impurities on the Growth Kinetics of Crystals

This paper reviews the work made by the group of the present author on the effect of impurities on the kinetics of crystal growth in solutions. The impurity effect is here discussed in the light of the model proposed by Kubota and Mullin [J. Crystal Growth, 152 (1995) 86], in which impurities are assumed to be adsorbed on the step lines at kink sites following the Langmuir mechanisms for inhibition of step displacement with a modified pinning mechanism. Effects of impurity concentration and supersaturation on impurity action on crystal growth are discussed successfully for various crystallizing systems with different impurities. Temperature effect on the impurity action is also discussed. Non-steady as well as steady state crystal growth behavior in the presence of impurities is discussed. Growth rate hysteresis in the presence of impurities and the pH effect on the impurity action of trivalent metallic impurities are discussed as well.
Automatic Watering System for Tomato Plants Based on Soil Moisture Detection

Water is the main element of growth for tomato plants; a further suitable watering system of the plants should be taken into consideration. Tomato plants require water that is under ideal soil moisture conditions so the plants can continue to flourish. Problems occur during the dry season; farmers must pay extra for watering. In order to address the problem, an automatic tomato plant watering system is needed. The system should streamline the use of water as well as the energy and costs of farmers in tomato cultivation. This research aims to find out the watering system prototype to tomato plants that use the solar cell as the energy supplier. The system used a control system with Arduino UNO as soil moisture levels detection. A DC pump is connected to the control system to supply water when law level soil moisture detected. Experiments were done to test the prototype using 25 tomato plants. The results showed the system could control soil moisture 65% - 90% and streamline water usage by 24.71 liters per month. The 50 Wp Solar Cell can charge 20 Ah battery with an average charging current of 0.78 A, and the charging time is 7 hours per day.
Grüneisen parameter for HCP iron at extreme compression

The Thomas–Fermi approximation gives the Grüneisen parameter γ=γ∞=1/2 for all materials at extreme compression (P→∞ or V→0). After re-analyzing the existing experimental data of volume dependence of Grüneisen parameter γ of hexagonal close-packed (HCP) iron, we find that γ=1/2+a(V/V 0)1/3+b(V/V 0) n , where a, b and n are constants. Based on this new form of γ, the second Grüneisen parameter q, the Debye temperature θD and the shear sound velocity v s of HCP iron are discussed in the present work. It is found that the zero pressure second Grüneisen parameter q 0=0.654, which is consistent with the previously determined value of HCP iron for Earth's core physics from Dubrovinsky et al. The calculations for the Debye temperature and the shear sound velocity are also found to be in good agreement with the experimental data.
Influence of chelating ligands on arsenic uptake by hydroponically grown rice seedlings (Oryza sativa L,): A preliminary study

Ferric (oxyhydro-)oxides (FeO x ) precipitate in the rhizosphere at neutral or alkaline pH and are adsorbed on the plant root surfaces. Consequently, the higher binding affinity of arsenate to FeO x and the low iron phytoavailability of the precipitated FeO x make the phytoremediation of arsenic difficult. In the present study, the influence of chelating ligands on arsenic and iron uptake by hydroponically grown rice seedlings (Oryza sativa L.) was investigated. When chelating ligands were not treated to the growth medium, about 63 and 71% of the total arsenic and iron were distributed in the root extract (outer root surfaces) of rice, respectively. On the other hand, ethylenediaminetetraacetic acid (EDTA), ethylenediaminedisuccinic acid (EDDS) and hydroxyiminodisuccinic acid (HIDS) desorbed a significant amount of arsenic from FeO x of the outer root surfaces. Therefore, the uptake of arsenic and iron into the roots and their subsequent translocation to the shoots of the rice seedlings increased significantly. The order of increasing arsenic uptake by chelating ligands was HIDS > EDTA > EDDS. Methylglycinediacetic acid (MGDA) and iminodisuccinic acid (IDS) might not be effective in arsenic solubilization from FeO x . The results suggest that EDDS and HIDS would be a good and environmentally safe choice to accelerate arsenic phytoavailability in the phytoremediation process because of their biodegradability and would be a competent alternative to the widely used non-biodegradable and environmentally persistent EDTA.
High-quality Fe-doped TiO2 films with superior visible-light performance

We report on high-quality polycrystalline Fe-doped TiO2 (Fe–TiO2) porous films synthesized via one-step electrochemical oxidation. We demonstrate that delicate properties such as the impurity concentration and the microstructure that strongly influence the performance of the material for photovoltaic and photocatalysis applications can be controlled by adjusting the electrolyte composition. Compared to Fe-doped TiO2 films prepared with traditional phosphate- or silicate-based electrolytes, our newly synthesised Fe–TiO2 films contain solely Fe dopants, which results in excellent photocatalytic and photovoltaic performance under visible light irradiation.
Magnetization distribution in CoS2; is it a half metallic ferromagnet?

Polarized neutron diffraction has been used to determine the spatial distribution of the magnetization in CoS2 and its temperature dependence. Although the previously reported ground state moment 0.84 μB is non-integral, the compound has sometimes been classified as a half metallic ferromagnet. The present results show that the ferromagnetic phase cannot have half metallic properties. The magnetization distribution around the Co2+ ions in the ferromagnetic phase at 1.8 K is nearly spherical, indicating that, contrary to electronic structure calculations, electrons both of eg and t2g character contribute to the observed magnetic moment. The orbital contribution to the moment is found to be small, a factor of two less than that determined from magnetic circular dichroism measurements. A small moment, approximately 2% of that on the cobalt ions, resides on the sulfur atoms at 1.8 K. The magnetization distribution induced in the paramagnetic phase by a field of 9.6 T at 150 K is significantly different from that in the ferromagnetic state and has the asphericity characteristic of eg electrons. On heating to 300 K and then to 400 K the t2g character of the magnetization increases continuously and becomes predominant above the anomaly in the susceptibility at 350 K.
Surface spectroscopic study of the behaviour of a thin TiN layer as protective coating of iron against corrosion by humid SO2‐aggressive environments

In this work the behaviour of thin (30 nm), single-layer TiN coatings on iron in different humid SO2-aggressive environments [(i) [SO2]=0.001% v/v, 80% relative humidity; (ii) [SO2]=0.001% v/v, 98% relative humidity; (iii) [SO2]=0.04% v/v, 80% relative humidity; (iv) [SO2]=0.04% v/v, 98% relative humidity] has been studied by integral conversion electron Mossbauer spectroscopy (ICEMS), XPS, AES and scanning auger microscopy (SAM). The results show that in atmosphere (i) there is no degradation of either the TiN coating or the underlying iron even after 14 days of exposure, whilst in atmosphere (iv) the TiN coating is completely destroyed after 7 days of exposure. In other cases the XPS data show that there are no significant chemical changes in the TiN coatings with exposure time; however, the ICEMS data show that after a sufficiently long exposure period, whose duration depends on the characteristics of the SO2 atmosphere, the underlying iron corrodes to give Fe2+ and Fe3+ species. This is attributed to the existence of small pores in the TiN coating, which allow the permeation of SO2, O2 and H2O from the atmosphere to the TiN/Fe interface. © 1998 John Wiley & Sons, Ltd.