Miracle-dz/UniFAR-FTUs huggingface dataset:
Phase-selective hydrothermal synthesis of Cu2ZnSnS4nanocrystals: The effect of the sulphur precursor

High quality Cu2ZnSnS4 (CZTS) films with uniform thickness and smooth surface were prepared using nanocrystals synthesized by a one-step hydrothermal method. It is found that the nature of the sulphur precursor used in the hydrothermal reaction influences both the compositional purity and the crystal structure of the synthesized hydrothermal product significantly. The CZTS material consisting of both wurtzite and kesterite crystal structures was obtained when using an organic sulfur precursor such as thioacetamide and thiourea in the precursor solution of the hydrothermal reaction while the pure kesterite phase CZTS nanocrystals were made when Na2S was employed as the sulphur precursor. CZTS thin films deposited on a Mo–soda lime glass substrate with uniform thickness (1.7 μm) were made by a simple doctor-blading method. The investigation of the effect of thermal treatment on the film has indicated that the wurtzite CZTS material was completely transformed to the kesterite phase when the material was annealed at 550 °C. Large grains (around 2 μm in size) were found on the surface of the CZTS film which was annealed at 600 °C. The evaluation of the photoresponse of the CZTS thin films has showed that a higher and very stable photocurrent was generated by the film annealed at 600 °C compared to the film annealed at 550 °C.
Estimation of the Deposition of Aerosolized Drugs in the Human Respiratory Tract Due to Hygroscopic Growth

ABSTRACT Hygroscopic aerosol particles will grow in the human respiratory tract due to the nearly saturated air. A calculation method had been developed previously to estimate the growth and the deposition in the human respiratory tract of salt particles. This method is adapted here to estimate the growth and the deposition of particles of three drugs during respiration. The relative growth of drug particles is comparable to the growth of salt particles, where different drug particles change their size by a factor of 2.2– 3.5, and salt particles by a factor of 2.0-4.4. Likewise, the deposition in the bronchial and pulmonary regions is enhanced for particles with initial sizes in the range of 0.3-5 μm for both the drug and salt particles. The increase in deposition is about a factor of 2 for particles with initial sizes between 0.5-2 μm. Also, the maximum values for deposition in the bronchial and pulmonary regions at initial particle sizes between 2-4 μm are increased by up to 20% compared to the values f.
Uricase-Based Highly Sensitive and Selective Spectrophotometric Determination of Uric Acid Using BSA-Stabilized Au Nanoclusters as Artificial Enzyme

ABSTRACT The enzymatic spectrophotometric analysis of uric acid based on BSA-stabilized Au nanoclusters (Au NCs) as peroxidase mimetics was first developed. Compared with natural enzyme horseradish peroxidase (HRP), which was used widely to detect H2O2 generated by uric acid, the BSA-stabilized Au NCs as peroxidase mimetics are easy to prepare, low cost, and stable. Kinetic analysis indicates that the BSA-stabilized Au NCs have even higher catalytic activity than HRP. Under the optimum conditions, the detection limit for uric acid is 3.6 × 10−7 mol L−1. The feasibility of the developed method for uric acid analysis in human serum was confirmed.
Crystallization of polyethylene and polytetrafluoroethylene by density-functional methods

Molecular density‐functional theory is extended to address the crystallization of chemically realistic polymers. The polymer (RISM) reference interaction site model integral‐equation approach is employed to calculate the liquid‐state structural information required as ‘‘input’’ into our density‐functional theory. The single‐chain structure is described by the rotational isomeric state model, and the accuracy of both the theoretically calculated single‐chain and liquid structures have been verified by direct comparison with Monte Carlo simulation and x‐ray scattering, respectively. The driving forces for the crystallization of polymers are found to be completely different from those in monatomic systems and can be understood in terms of an effective ‘‘chain‐straightening force’’ (which results from chain packing) combined with a background attractive potential. Remarkably, the predicted melting temperatures for polyethylene and polytetrafluoroethylene at atmospheric pressure are within a few degrees of the.
The Effects of Structural Reforms: Evidence from Italy

This paper quantifies the macroeconomic effects of three major structural reforms (i.e., service sector liberalizations, incentives to innovation and civil justice reforms) undertaken in Italy in the last decade. We employ a novel approach that estimates the impact of each reform on total factor productivity and markups in an empirical micro setting and that uses these estimates in a structural general equilibrium model to simulate the macroeconomic impact of the reforms. Our results indicate that, accounting for estimation uncertainty, the increase in the level of GDP as of 2019 due to the sole effect of these reforms (ignoring all the other shocks that the Italian economy suffered in the same period) would be between 3% and 6%. The long-run increase in Italy's potential output would lie between 4% and 8%, with non-negligible effects on the labor market.
Ice Particle Growth Rates Under Upper Troposphere Conditions

Atmospheric conditions for growth of ice crystals (temperature and ice supersaturation) are often not well constrained and it is necessary to simulate such conditions in the laboratory to investigate such growth under well controlled conditions over many hours. The growth of ice crystals from the vapour in both prism and basal planes was observed at temperatures of -60 C and -70 C under ice supersaturation up to 100% (200% relative humidity) at pressures derived from the standard atmosphere in a static diffusion chamber. Crystals grew outward from a vertical glass filament, thickening in the basal plane by addition of macroscopic layers greater than 2 m, leading to growth in the prism plane by passing of successive layers conveniently viewed by time lapse video.
EFFECT OF ASSUMED UNIT GRADIENT DURING DRAINAGE ON THE DETERMINATION OF UNSATURATED HYDRAULIC CONDUCTIVITY AND INFILTRATION PARAMETERS1

The unit-gradient approximation, the determination of unsaturated hydraulic conductivities using this approximation, and the parameters of the Green- Ampt infiltration equation derived from those conductivities were evaluated in soils of four soil orders of the southern United States, encompassing a range of profile layering and complexity. The soils were Cecil (Typic Hapludults), Lakeland (Typic Quartzipsamments), Bethany (Pachic Argiustolls), and Konawa (Ultic Haplustalfs). The results indicate that the hydraulic gradients were greatly influenced by the nature and complexity of the soil profile and varied with time and depth. At some depths and times, the gradients were a factor of 2 to 5 smaller or greater than unity. A relatively large departure from the unit gradient occurred consistently in the top 30 to 40 cm of the soil. The hydraulic conductivity results showed that, from a practical point of view, appreciable discrepancies as a result of the unit-gradient approximation occurred in the upper soil horizons, at soil depths less than 20 cm for a uniform profile to depths less than 65 cm for a more complex layered profile. For these depths, the hydraulic conductivities at low suctions, calculated using the unit-gradient assumption, were always smaller than the values calculated using measured gradients. Interestingly, the Green-Ampt wetting-front suction parameter derived from the unit-gradient hydraulic conductivities was generally close to the actual value for the upper soil depths, and its value for greater depths fluctuated around the actual value. Thus, the most serious effect of the unit-gradient assumption was the underestimation of the Green-Ampt parameter of saturated or nearly saturated hydraulic conductivity in the topsoil, which occurred in both uniform and layered soils. These results suggest that ten-siometers should be used to measure hydraulic gradients at least in the topsoil.
EVALUATION OF POTATO GENOTYPES FOR KEEPING QUALITY UNDER AMBIENT CONDITIONS IN NEPAL

An experiment on keeping quality of potato under non-refrigerated storage conditions was conducted during 2011 for 120 days under dark room at ambient temperature (25.8 ± 1.2°C) and relative humidity (86.1%) to study the performance of seven potato genotypes for good storability. The results revealed that the genotypes BSU-PO3, HPS-II/67, PRP 25861.1 and Kufri Chipsona-2 were found suitable only for 45 to 60 days storage, while the genotypes Yagana and L-235.4 could be successfully stored for maximum period up to 120 days with minimum weight loss. The genotypes PRP 25861.1 and BSUPO3 had higher dry matter percentage and were found superior for processing in to chips.
Reaction catalyzed by montmorillonite: Polymerization of methyl methacrylate

The polymerization of methyl methacrylate (MMA) was carried out in aqueous media having various concentrations of potassium persulfate as initiator in the presence or the absence of montmorillonite (Texas) at various temperatures. The rate of polymerization increased with increasing initiator concentration. Thermal stabilities of the resulting composite materials were studied and the activation energies of polymerization and degradation were determined. © 1997 John Wiley & Sons, Inc. J Appl Polym Sci 64: 367–372, 1997
Millimeter-Wave Rotational Spectra of trans-Acrolein (Propenal) (CH2CHCOH): A DC Discharge Product of Allyl Alcohol (CH2CHCH2OH) Vapor and DFT Calculation

Millimeter-wave rotational spectrum of trans-acrolein (propenal) (CH 2CHCOH) produced by applying a DC glow discharge through a low-pressure (~10–20 mTorr) flow of allyl alcohol (CH 2CHCH 2OH) vapor has been observed in the ground and several excited torsional states in the frequency region: 60.0–99.0 GHz. A least-square analysis of the measured and previously reported rotational transition frequencies has produced a set of rotational and centrifugal distortion constants for the ground as well as excited torsional states. Detailed DFT calculations were also carried out with various functional and basis sets to evaluate the spectroscopic constants, dipole moment, and various structural parameters of the trans conformer of propenal for the ground state and compared with their corresponding experimental values. A linear variation of the inertia defect values with torsional quantum number ( 𝑣 = 0 , 1 , 2 , 3 ) demonstrates that the equilibrium configuration of trans-propenal is planar.
Surface Potential Variations in Graphene Induced by Nanostructured Crystalline Ionic Substrates

We used electrostatic force and Kelvin probe microscopies to investigate few-layer graphene (FLG) domains on top of ionic crystals. Step edges, pits, and protrusions within the ionic surface create sizeable and local perturbations of the surface potential of graphene overlayers. These were within the eV range in FLG with up to three layers, and become considerably screened in thicker layers. Engineering such nanostructures in a regular manner can allow the bottom-up creation of on-sheet p–n junctions and superlattices that exploit the Dirac nature of carriers in graphene, and provide a test bed for studying local screening.
PEMBUATAN ALKOHOL DENGAN PROSES FERMENTASI BUAH JAMBUMETE OLEH KHAMIR SACHAROMICES CEREVESIAE

Cashew fruit appareance has been research and have sugar contents 9.67 %. With that sugar contents is probability to used as raw material to production alcohol. The purpose of this resarch is to make alcohol form cashew fruit appareance and kamir sacharomices with fermentation process. Process is operate with ferment concentrate cashew fruit to fermentation bottle with added khamir sacharomices. After approriate with condition that we want so process stoped and analyze result Variable that used is fermentation time and inokulum content. This research can conclude that the best result is get from fermentation time = 60 hours, inokulum content = 6 % and alcohol content as 14.98 %.
PEMODELAN FISIK APLIKASI METODE GEOLISTRIK KONFIGURASI SCHLUMBERGER UNTUK MENDETEKSI KEBERADAAN AIR TANAH

Penelitian ini adalah studi geofisika berupa pemodelan fisis dengan memanfaatkan metode geolistrik tahanan jenis. Medium yang digunakan adalah tanah merah dan tanah liat. Pada media tersebut diinjeksikan arus dan kemudian dilakukan pengukuran terrhadap arus maupun potensialnya. Pengukuran dilakukan dengan menggunakan 4 buah elektroda, yakni 2 elektroda arus dan 2 elektroda potensial. Konfigurasi yang digunakan adalah konfigurasi Schlumberger yang diharapkan dapat digunakan untuk mendeteksi keberadaan air. Instrumen yang digunakan adalah resistivitymeter Naniura NRD 22S yang dilengkapi dengan empat buah elektroda yang berfungsi dalam pembacaan output respon beda potensial akibat arus yang diinjeksikan ke dalam permukaan tanah merah melalui dua buah elektroda arus dan dua buah elektroda potensial. Hasil inversi 2-D menggunakan perangkat lunak Res2Dinv menunjukkan bahwa metode geolistrik konfigurasi Schlumberger dapat digunakan untuk mengetahui keberadaan air tanah beserta nilai resistivitasnya yaitu untuk tanah liat 1 posisi, 2 posisi, dan 3 posisi dengan volume injeksi air kumulatif berkisar antara 14.4-70.0 Ωm. This research is geophysical study of physical modeling by using geoelectric resistivity method, and it used land and clay as media. The current was injected to the media then measured its current and potential. The measurement used 4 electrodes, consisting of 2 current electrodes and 2 potential electrodes. This research used Schlumberger configuration which is expected to be used to investigate the presence of water. Resistivitymeter Naniura NRD 22S with 4 electrodes was used to read the output response of potential difference as a result of injected current to red earth through 2 current electrodes and 2 potential electrodes. 2-D inversion result using Res2Dinv software showed that geoelectric method Schlumberger configuration can be used to determine the groundwater presence and its resistivity values for 1 position, 2 positions, and 3 positions of clay with cumulative injected water volume about 14.4-70.0 Ωm.
Supercritical Carbon Dioxide Extraction of Uranium from Acidic Medium Employing Calixarenes

Various calixarenes were evaluated for the supercritical fluid extraction of uranium from nitric acid medium. The extraction efficiency was found to be affected by various parameters, namely pressure, temperature, CO2 flowrate, extraction time, and molarity of nitric acid. The addition of HPFOA (pentadecafluoro-n-octanoic acid) for the production of CO2-phillic fluorinated counter ion enhanced the extraction efficiency. Under optimized conditions (pressure of 200 atm, temperature of 323 K, 30 minutes of static time followed by 30 minutes of dynamic time, CO2 flowrate of 2 mL min−1, nitric acid molarity of 0.1 M) for uranium: calixarene: HPFOA mole ratio of 1:5:10, highest extraction efficiency could be obtained with p-tert. -butyl calix[6]arene (79.9%). Solvent extraction study with hexane as the organic phase indicated the formation of [UO2 (calixarene)]2+. In order to assess the suitability of the developed method to extract uranium in the presence of a host of other ions, extraction efficiency for other metal ions was estimated.
Quantumchemical simulation of diffusion in alloys: diffusion of interstitial oxygen atoms in Si1‐xGex

In the present work the results of theoretical analysis of the process of diffusion of covalently bonded atoms (interstitial oxygen atoms) in Si1-xGex alloys are presented. The diffusion coefficient (activation energy and preexponential factor) was calculated by means of quantumchemical simulations (NDDO PM5) and the dependences of the activation energy and preexponential factor on Ge atoms concentration (x) were analyzed with the use of the percolation theory. It is shown that a significant decrease in the diffusion coefficient of interstitial oxygen atoms in Si1-xGex (x<0.05) compared to the value in pure silicon is caused not only by changes in activation energy but also by a decrease of the preexponential factor. The alloy-induced decrease in the preexponential factor is associated with removal of the degeneracy of the number of equivalent diffusion paths. The dependences obtained describe well experimentally observed changes in the diffusion coefficient of interstitial oxygen atoms and in the formation rate of oxygen-related thermal donors in Si1-xGex alloys. (© 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)
Complexation of Cobalt by Natural Ligands in Freshwater

Ligand exchange with dimethylglyoxime (DMG) and differential pulse cathodic stripping voltammetry (DPCSV) was applied to determine free Co(II) ionic concentrations [Co{sup 2+}] and Co(II) complexation by natural organic ligands in freshwater. [Co{sup 2+}] and the complexing parameters were calculated on the basis of the thermodynamic equilibria between added and natural ligands. The optimal working conditions were carefully evaluated in synthetic solutions and in natural freshwater samples. The results from samples collected at various sites from the Aare and Rhine Rivers and the Biel and Lucerne Lakes, Switzerland, are presented. The total dissolved Co concentrations are in the range of 0.5--6.5 nM, and [Co{sup 2+}] is in the range of 0.05--0.5 nM. Organic complexes of Co are predominant in most samples with 80--96% of total dissolved Co. A one-ligand model could well fit the titrations of freshwater samples with Co(II) (using the FITEQL program). The conditional stability constants of the natural ligands were computed to be log K = 9.5--11.6 (pH 8.0 {+-} 0.1), and the ligand concentrations were [L] = 1.4--7.6 nM. The reliability and applicability of the technique and the implications of the results are discussed.
The Application and Development of the Biomass Gasification Industrial Process Technology

The principles of biomass gasification were introduced in this paper.The gasifier of biomass gasification as well as the influences of operating conditions,such as gasfier agent,particle size,temperature,pressure etc.on the applications of biomass gasification were described.Finally,the paper put forward some problems to be solved urgently in our country.
Curing reactions and properties of organic–inorganic composites from hydrogenated carboxylated nitrile rubber and epoxycyclohexyl polyhedral oligomeric silsesquioxanes

Novel organic–inorganic composites were prepared by curing hydrogenated carboxylated nitrile rubber (HXNBR) with epoxycyclohexyl polyhedral oligomeric silsesquioxanes (POSS) through chemical bonding of carboxyl groups of HXNBR and epoxy groups of POSS. The process of the curing reaction was investigated using in situ Fourier transform infrared spectroscopy. The reaction order, the activation energy and the frequency factor were obtained through a kinetic analysis using differential scanning calorimetry. Through dynamic mechanical analysis, the glass transition temperature, crosslink density and degree of heterogeneity of the composites were estimated, and they showed an increasing tendency with increasing POSS content. The results of dielectric property measurements showed that the dielectric constant of the composites decreased with increasing POSS content in the studied frequency range. Copyright © 2010 Society of Chemical Industry
FATIGUE BEHAVIORS OF Bi3.25La0.75Ti3O12/Pb(Zr0.52Ti0.48)O3/ Bi3.25La0.75Ti3O12 TRILAYERED THIN FILMS

ABSTRACT The polarization fatigue behaviors of ferroelectric Bi3.25La0. 75Ti3O12 (BLT)/Pb(Zr0.52Ti0.48)O3 (PZT)/Bi3.25La0. 75Ti3O12 (BLT) trilayered thin films deposited on Pt-coated silicon substrates are investigated. The saturated polarization P s and remnant polarization P r of the trilayered structures are enhanced with respect to BLT films, upon insertion of PZT layer. The trilayered structure is almost fatigue-free upon 109switching cycles under an electric field of 350 kV/cm, while a more serious fatigue effect under a lower electric field is observed. Furthermore, the low-temperature fatigue-resistance performance of the trilayered structure is worse than that of BLT films. Referring to the defect chemistry associated with the fatigue behaviors in perovskite ferroelectrics, it is argued that the fatigue effect of the trilayered structure is ascribed to the accelerated penetration of oxygen vacancies from PZT layer into BLT layers.
Application of Imaging Plates to Cumulative Dosemeter for High X-ray Radiation Fields

The application of imaging plates (IPs), which are highly sensitive two-dimensional radiation sensors, to cumulative dosemeters for measuring high level X-ray radiation has been attempted, aiming at direct measurement of entrance skin dose (ESD) in interventional radiology (IR) . The IP has 103 times greater sensitivity to X-rays than does X-ray emulsion film. The present upper limit of the measurable dose is only less than 1 mGy, which is principally determined by the saturation of the output current of the photomultiplier tube (PMT) and not by the property of IP. To extend the upper limit of the measurable dose without adapting the readout system, a new and simple technique to decrease the occurrence of photostimulated luminescence (PSL) and reduce exposure levels within the dynamic range of the PMT is being developed. The process involves placing a sheet of color cellophane over the IP during the readout process and/or annealing the IP. This process enables extension of the upper limit of the X-ray dose to approximately 102Gy by using three sheets of color cellophane or to 10! Gy by annealing the IPs at 100°C for 70 hours. Combining the conventional way, the dynamic range of an IP can be extended by eight orders of magnitude.
Conformational Change of Poly(N-isopropylacrylamide) during the Coil-Globule Transition Investigated by Attenuated Total Reflection/Infrared Spectroscopy and Density Functional Theory Calculation†.

A conformational change in the coil-globule transition of poly(N-isopropylacrylamide) (PNiPA) was investigated by Fourier transform infrared (FT-IR) spectroscopy with attenuated total reflection (ATR) method and density functional theory (DFT) calculations. ATR/IR spectra of PNiPA in an aqueous solution change dramatically in the vicinity of the coil-globule transition temperature (θ temperature). Below the θ temperature, unimodal peaks are observed at 1624 cm-1 in the amide I region and at 1562 cm-1 in the amide II region, respectively. Above the θ temperature, a new peak appears abruptly near 1653 cm-1 in the amide I region and the amide II band shifts gradually to a lower frequency by 6 cm-1. In the amide III region, the relative intensity of a band at 1173 cm-1 is weaker than that of a band at 1155 cm-1 at lower temperatures, but it becomes larger during the coil-globule transition of PNiPA. DFT calculation for dimer models of PNiPA suggests that the amide I band at 1624 cm-1 is assigned mainly to a stretching vibration of the C═O group that forms a strong hydrogen bond with the N-H bond of a neighboring amide group. The band at 1653 cm-1 observed above the θ temperature may be due to a free C═O group. It is, therefore, suggested that some of the intramolecular hydrogen bonds between neighboring amide groups are broken during the coil-globule transition. Furthermore, it is deduced from the DFT calculation that the relative intensity of the bands at 1173 and 1155 cm-1 in the amide III region reflects the population change in the gauche and trans conformations in the main chain during the coil-globule transition.