Miracle-dz/UniFAR-FTUs huggingface dataset:
Living bio-membrane bi-template route for simultaneous synthesis of lead selenide nanorods and nanotubes

In this paper, a novel method is reported by which semiconductor materials are synthesized via controlled organism membranes. Semiconductor lead selenide nanorods and nanotubes have been successfully prepared simultaneously through living bio-membrane bi-templates of the mungbean sprout. The lead selenide nanorods are approximately 45 nm in diameter, and up to 1100 nm in length; all of them are single crystalline in structure. Lead selenide nanotubes are 50 nm in diameter, and up to 2000 nm in length, and are poly-crystalline in structure. The characteristics of the products are illustrated by various means, and their possible formation mechanism is explored.
Chemiluminescence and photoluminescence of diatomic iron oxide

Band emission from the Infrared, Orange, and Blue systems of FeO is observed in chemiluminescent flames resulting from the reaction of Fe with O3, N2O, NO2, and discharged O2. Flames are produced at a relatively low temperature (700 K) in flowing inert gas at pressures of 10−3 atm. Bands not previously reported are observed and ascribed to FeO. Reaction of Fe with O2 produces continuumlike emission of unidentified origin; however, laser photoluminescence studies confirm ground state FeO is present. Photon yields for the Orange systems of FeO formed in reactions with O3 and N2O are found to be on the order of 2% and 0.2%, respectively. Photoluminescence of FeO is excited with a krypton ion laser and a cw, tunable dye laser. Ground state vibrational constants of ω″e = 875.8 cm−1 and ω″ex″e = 4.6 cm−1 are determined from the laser excited photoluminescence spectra. Using the tunable dye laser, a rotational constant for the upper state of the B 0,0 band (λ = 579 nm) is found to be B′0 = 0.497 cm−1. Radiative .
Integral equation theory for the adsorption of chain fluids in slitlike pores

The adsorption of hard chains in slitlike pores is studied via an integral equation theory. The theory uses the growing adsorbent model in conjunction with the polymer reference interaction site model (polymer‐RISM) theory to predict the wall–fluid correlation functions; wall–fluid and fluid–fluid correlations are treated using the Percus–Yevick closure relations. The theory is compared to Monte Carlo simulation data for the density profiles of 4‐mers and 8‐mers in slitlike pores; the theory is fairly accurate, though it tends to overestimate the density at the wall at low densities and underestimate the density at the wall at high densities. The theory also underestimates the amplitude of the oscillations in the density profile. The theory is very accurate, however, for the adsorption isotherm of 4‐mers and 8‐mers.
ONIOM Study of Chemical Reactions in Microsolvation Clusters: (H2O)nCH3Cl + OH-(H2O)m (n + m = 1 and 2)

The reliability of the two-layered ONIOM (our own N-layered molecular orbital + molecular mechanics) method was examined for the investigation of the SN2 reaction pathway (reactants, reactant complexes, transition states, product complexes, and products) between CH3Cl and an OH- ion in microsolvation clusters with one or two water molecules. Only the solute part, CH3Cl and OH-, was treated at a high level of molecular orbital (MO) theory, and all solvent water molecules were treated at a low MO level. The ONIOM calculation at the MP2 (Moller-Plesset second order perturbation)/aug-cc-pVDZ (augmented correlation-consistent polarized valence double-zeta basis set) level of theory as the high level coupled with the B3LYP (Becke 3 parameter-Lee-Yag-Parr)/6-31+G(d) as the low level was found to reasonably reproduce the "target"geometries at the MP2/aug-cc-pVDZ level of theory. The energetics can be further improved to an average absolute error of <1.0 kcal/mol per solvent water molecule relative to the target CCSD(T) (coupled cluster singles and doubles with triples by perturbation)/aug-cc-pVDZ level by using the ONIOM method in which the high level was CCSD(T)/aug-cc-pVDZ level with the low level of MP2/aug-cc-pVDZ. The present results indicate that the ONIOM method would be a powerful tool for obtaining reliable geometries and energetics for chemicalmore » reactions in larger microsolvated clusters with a fraction of cost of the full high level calculation, when an appropriate combination of high and low level methods is used. The importance of a careful test is emphasized. « less
Painted, Polycrystalline Thin Film Photoelectrodes for Photoelectrochemical Solar Cells

A simple, versatile method for fabricating semiconductor layers for use as photoelectrodes in photoelectrochemical cells is described. This method, in which a slurry of the semiconductor is painted onto a substrate, is demonstrated particularly for Cd (and Zn) chalcogenides, but is shown to be applicable to other materials of photovoltaic interest, such as . Also, the method allows for simple fabrication of layers of solid solutions, such as cadmium mixed chalcogenides.
X-ray diffraction from low-dimensional structures

This review paper presents the applications of X-ray diffraction to routine measurements and the procedures for extending its capabilities of analysis to undertake a detailed structural investigation of low-dimensional structures. The uses and limitations of the familiar double-crystal diffractometer are discussed as are the advantages of 'reciprocal space mapping' with a multiple-crystal diffractometer. In general X-ray diffraction has been used for composition and thickness measurement in low-dimensional structures (LDS) and these aspects are covered, as well as the avoidance of the pitfalls associated with their determination. The possibilities for the use of X-ray diffraction methods to determine interface quality, the evolution of lattice relaxation, the detailed microstructure, etc, are discussed, with an indication of the limits of the techniques.
Surface Treatment on Silicon Field-Emission Cathodes

Arrays and single-tip p-type silicon micro-emitters have been formed using a subtractive tip fabrication technique. Following fabrication, several different surface treatments have been attempted for comparison. We utilized ion and electron bombardment at elevated pressures (with interrupted pumping), and also hydrogen seasoning during field emission operation. The objectives of these treatments include stabilization of the emission, lowering the effective workfunction, and reducing low-frequency noise. The tips were evaluated using I-V measurements in the diode configuration. A flat Si anode, spaced nominally 6 μm and 150 μm from the cathode, was used. For the purpose of treatment, the field emission characteristics are measured in a high vacuum chamber at a pressure range between 10 −5 and 10 −8 Torr. The results suggest that the emitters benefit from seasoning or conditioning, for optimal performance, low noise, minimum work function and maximum reproducibility and reliability over the lifetime of the cathode.
Regional level long-term rainfall variability assessment using Mann-Kendall test over the Odisha state of India.

The climatic variability severely affects the environment, water availability, agriculture, food security, etc. particularly in the developing countries like India.In India rainfed agriculture covered about 68 per cent of the total cultivated area and more than 40 per cent of human and 60 per cent of livestock population (Sharma and Soni, 2006). It has been reported that there would be reduction in average runoff and water availability by 10-30 per cent during middle of this century. The frequency of rainfall showed the decreasing trend and the extreme events of rainfall showed the rising trends (Goswami et al.,2006). Patra et al. (2012) have reported the insignificant decline trend in annual and monsoon rainfall and the increasing trend in winter and summer season rainfallin Odisha state. While Attri et al. (2018) have shown non-significant increasing trend in rainfall in arid region of India.
Simple Enantiospecific Synthesis of Sulfides of Cinchona Alkaloids

The native and epi-Cinchona alkaloids were reacted with (ArS)2/Bu3P in toluene at 65 °C to give the corresponding arylsul- fanyl derivatives (15 examples, 31-75%) with complete inversion of configuration at 9-C stereogenic centers. Similar products were also obtained in the enantiospecific nucleophilic substitution of the 9-mesylates of alkaloids with sodium thiolates (4 examples, 73- 84%) and no cinchona rearrangement was observed. The chiral thioethers obtained were preliminarily tested as N(sp 3 ), S-donating chiral ligands in the Pd-catalyzed allylic alkylation of dimethyl ma- lonate with rac-1,3-diphenylprop-2-enyl acetate and gave the prod- uct with up to 78% ee.
Micromorphological and analytical Study of an Ancient Pinewood from Cyprus Containing Metallic Copper

A ca. 2500 year old wood sample of Pinus halepensis from a phoenician copper mine in Cyprus contained metallic pellets of about 3 mm diffusely distributed äs islets. The fine structural and analytical studies clearly revealed that the metal pellets were composed of pure elemental copper. The wood tissue was also impregnated with copper and showed no signs of degradation; only at the sites of the larger metal pellets there was a hydrolysis of the cells for their accommodation. On the basis of the results obtained a hypothesis äs to the origin and development of the metal pellets within the wood has been suggested.
Monolithic Osmotic Tablet Containing Solid Dispersion of 10-hydroxycamptothecin

A novel monolithic osmotic tablet composed of solid dispersion of water-insoluble 10-hydroxycamptothecin (HCPT) was prepared. The tablet core was made of a suspending agent, polyethylene oxide, an osmotic agent, sodium chloride, and a solid dispersion consisting of polyethylene glycol 6000 and HCPT. Optimized formulation was able to deliver HCPT at the constant rate of 1.21 mg/hour for 12 hours with cumulative release above 90% in vitro, independent of environmental media and stirring rate, and the release rate is co-controlled by osmotic pressure, suspending effect, and drug solubility in solid dispersion. The monolithic osmotic tablet containing solid dispersion has great potential in the controlled delivery of water-insoluble drugs.
Reconstruction of the complex reflectance function in acoustic microscopy

We describe the theory and practical implementation of an iterative computer algorithm (an extension of the Gerchberg Saxton algorithm, originally developed for electron microscopy) for enabling an estimate of the complex reflectance function of a material to be reconstructed from measured values of only the magnitude of the response of an acoustic microscope (i.e. without the phase of the transducer voltage). Results are presented for eight materials measured with a spherical lens (at 320 MHz) and five with a cylindrical line‐focus lens (at 210 and 228 MHz).
Essential Oil Composition of Achillea eriophora, A. nobilis, A. biebersteinii and A. wilhelmsii from Iran

Abstract The major composition of the essential oils of these species from aerial parts growing wild in Iran analysed by GC and GC-MS. The essential oil of Achillea eriophora DC. were identified and major compounds were camphor (30.40 %), 1,8 cineol (25.24 %) and camphene (6.21 %). The essential oil of A. nobilis L. subsp neilreichii (Kerner) Formanek was found to contain: α-thujone (34.06 %), 1,8-cineole (14.14 %) and β-cedren epoxide (9.63 %) as the major constituents. The major compounds of A. biebersteinii Afan. were 1,8-cineole (32.82 %), carvacrol (10.85 %) piperitone (7.34 %). The oil of A. wilhelmsii C. Koch. was characterized by higher amounts of camphor (19.66 %), 1,8 cineole (9.06 %) and α-pinene (10.00 %). The results showed that 1,8-cineole in all species is major compound.
Mechanistic and Spatial Study of Ultrasonically Induced Luminol Chemiluminescence

Aqueous solutions containing 10-3 M luminol and varying concentrations of hydrogen peroxide are irradiated with 20 kHz ultrasound at 50 °C. The intensity of sonogenerated chemiluminescence (SCL) is shown to increase linearly with ultrasound power and to be strongly pH dependent, reaching a maximum at pH 12. For pH 10 ISCL increases monotonically with H2O2 concentration up to10-4 M but decreases as the concentration is increased further. A mechanism is proposed in which HO2- and the luminol monoanion competitively reduce sonochemically generated HO•, producing O2•- and luminol radical anion, respectively. Luminescence follows the decomposition of a hydroperoxide adduct formed by reaction between O2•- and luminol radical anion. EDTA is shown to suppress the background (silent) chemiluminescence of solutions containing luminol and H2O2 without significantly affecting ISCL. Digital images of SCL emission occurring near the transducer−solu.
Numerical evaluation of a one-dimensional two-fluid model applied to gas–solid cold-flows in fluidised beds

Computational demanding two- and three-dimensional two-fluid models are frequently adopted simulating gas–solid flows in fluidised beds. Reduced computational cost is favourable for efficient numerical studies of technologies such as the novel chemical looping combustion (CLC), chemical looping reforming (CLR), and sorption-enhanced steam methane reforming (SE-SMR) processes. In this study, we elucidate the potential of a one-dimensional two-fluid model to describe gas–solid cold-flows in fluidised beds. The validity of the numerical simulation results of the bubbling beds and risers have been compared to experimental data in the literature. Moreover, sensitivity analyses on drag closure laws and operation condition have been performed and a number of model solution techniques and algorithms are studied. In addition, simulation results of the one-dimensional model are compared to results of a two-dimensional model. For particular sets of operating conditions and flow characteristics, the one-dimensional model compares fairly well to the simulation results of the two-dimensional model and to experimental data. Under other operating conditions, large quantitative deviations can be observed. However, the one-dimensional model is assumed to be sufficently accurate for particular reactor process optimisation and design evaluations.
Remove and recover phosphorus during anaerobic digestion of excess sludge by adding waste iron scrap

In the current investigation, the feasibility of phosphorus removal in the anaerobic digestion of excess sludge by adding waste iron scrap (WIS) was studied. The results show that the removal efficiency of phosphorus increases with the amount of WIS, and the maximum removal efficiency could reach 39%, 93% and 99% at WIS dosages of 1, 2 and 3 g/L, respectively. Sterilization greatly decreases the removal efficiency of phosphorus, having only -6%, 53% and 64% at WIS dosages of 1, 2 and 3 g/L, respectively. This means that iron-reducing bacteria and hydrolytic bacteria enhance 45%, 40% and 35% of phosphorus removal at WIS dosages of 1, 2 and 3 g/L, respectively. The first and the most important mechanism of phosphorus removal using WIS is hydrolytic bacteria, which reduce the pH of sludge to corrode the WIS, followed by precipitation of phosphorus by ferrous iron generated from the iron-reducing bacteria. Phosphorus adsorption onto the WIS is the second probable mechanism. The removed phosphorus is recovered up to 56% using magnet. This method is characterized by high removal efficiency, easy and steady operation, low cost, recovery and reuse, making it better than other physical and chemical treatments.
Atomistic study of porosity impact on phonon driven thermal conductivity: Application to uranium dioxide

We present here an analytical method, based on the kinetic theory, to determine the impact of defects such as cavities on the thermal conductivity of a solid. This approach, which explicitly takes into account the effects of internal pore surfaces, will be referred to as the Phonon Interface THermal cONductivity (PITHON) model. Once exposed in the general case, this method is then illustrated in the case of uranium dioxide. It appears that taking properly into account these interface effects significantly modifies the temperature and porosity dependence of thermal conductivity with respect to that issued from either micromechanical models or more recent approaches, in particular, for small cavity sizes. More precisely, it is found that if the mean free path appears to have a major effect in this system in the temperature and porosity distribution range of interest, the variation of the specific heat at the surface of the cavity is predicted to be essential at very low temperature and small sizes for sufficiently large porosity.
Set-point weighted PID controller tuning for time-delayed unstable processes

The set-point weighted proportional, integral, and derivative (PID) controller has been shown to be equivalent to an error feedback PID controller with a PD controller in the inner loop; and, many nonerror feedback designs have been unified under the frame of tuning the set-point weighted PID controller. A simple method is then proposed to reform an existing PID control system into a set-point weighted PID control system for unstable processes. To reform an existing error feedback PID control system into the set-point weighted PID control system, the proposed method needs neither the information of the process nor the information of the design methods of the original error feedback PID control system. The only information needed to reform the existing PID control system is the values of the tuning parameters of the original error PID control system. Theoretical analysis shows that if the original error feedback PID control system is stable, the stability of the proposed set-point weighted PID control syst.
An early deposited LPCVD silicon nitride: allowing the possibility of novel cell designs

An LPCVD silicon nitride layer deposited in the early stages of cell fabrication has many properties that allow for increased processing flexibility and hence the realisation of novel cell designs. We have shown previously that excellent surface passivation can be achieved provided at least a thin oxide is present under the nitride. Surface passivation is lost once the wafer is heated, due to a loss of hydrogen from the silicon/oxide interface, but can be recovered entirely by re-introducing hydrogen to this interface. The work presented in this paper is concerned with hydrogen re-introduction using a high temperature forming gas anneal. We show that the thermal history of the wafer and the thickness of the silicon nitride layer both affect the time necessary to recover surface passivation.
Contact wetting angle as a characterization technique for processing CdTe/CdS solar cells

The feasibility of measuring contact wetting angles to characterize processing induced changes to thin film semiconductors in CdTe/CdS solar cells is evaluated. The contact angles of water and formamide are used to determine the polar and dispersive surface energies of the thin films using two analysis methods. Changes in surface energies resulting from processing are correlated to changes in surface chemistry and structure detected by glancing incidence X‐ray diffraction (GIXRD), X‐ray photoelectron spectroscopy (XPS), and atomic force microscopy (AFM). Surface energies are evaluated for sputtered In2O3:SnO2, chemical surface‐deposited CdS, and physical vapor‐deposited (PVD) CdTe thin films under as‐deposited and treated conditions. Treatments include thermal anneal in air, argon, and CdCl2 ambient as well as surface etching. Indium tin oxide (ITO) and CdS films exhibit increased polar surface energy corresponding to enhanced crystallization of surfaces resulting from processing and increasing CdS growth temperature. Native oxidation of PVD CdTe (111)‐oriented film surfaces occurs rapidly and is readily detected by changes in contact angle. Surface energies of PVD (111)‐oriented CdTe stored under various humidities prior to processing are energetically similar due to native oxidation. The polar energy of CdTe surfaces is affected by the addition or removal of crystalline surface oxides during film processing. Copyright © 2006 John Wiley & Sons, Ltd.
Toward Plasmonic Biosensors Functionalized by a Photoinduced Surface Reaction

We present a method for efficient coupling of amine nucleophilic molecules of choice to a nanostructured gold surface via photoinduced surface chemistry. The method is based on photoactive self-assembled monolayers and can be used to functionalize localized surface plasmon resonance (LSPR) based biosensors with biorecognition motifs while reducing nonspecific binding via introduction of hydrophilic units. The photoactive linker molecule, 5-bromo-7-nitroindoline, couples nucleophilic molecules such as biotin ethylenediamine to a surface when exposed to UV-light. The specific, noncovalent recognition between biotin and streptavidin is used for demonstration of a simple biorecognition assay based on the LSPR sensing principle. By doing so, one can envision that the binding of any streptavidin fusion protein, being attached to specific spots at the gold surface, is monitored by an LSPR peak shift. Since the surface functionalization is based on a photoinduced reaction, this method can be used to functionalize.
The chain length dependence of the chemical potentials of macromolecular systems at zero density exact calculations and Monte Carlo simulations

In a previous paper we illustrated a Monte Carlo method to calculate the incremental chemical potential between polymer chains of length ν and ν+1 at all densities. In this document we present a statistical mechanics model that allows for its quantitative evaluation as a function of chain length and temperature for macromolecular systems at zero density. Through this approach the incremental chemical potential at zero density is shown to be a strong function of chain length at low temperatures, but becomes chain length independent even for short chains (ν≥3) at higher temperatures. The temperature where the chemical potential becomes essentially chain length independent is a definition of the Boyle transition for finite chain length polymers, and we show that this transition temperature has a well defined chain length dependence. Chain dimensions and incremental entropies associated with chain segments are also found to decrease significantly when the temperature is reduced below this θ temperature thus p.
Facile preparation of platinum sols by sodium borohydride reduction and its evaluation in the photosensitized reduction of water to hydrogen.

Colloidal platinum prepared from K2PtCl4 by NaBH4, reduction in basic solution showed marked efficiency and satisfactory reproducibility in the hydrogen evolution reactions with a Ru(bpy)3Cl2/MV/EDTA model system. Examinations of electron microscopy indicated obvious relations between the activity and size of particles. Cyclodextrins as a support tend to stabilize the colloids, probably by retarding its aggregation.
ECAPA-TDNN Embeddings for Speaker Diarization

Learning robust speaker embeddings is a crucial step in speaker diarization. Deep neural networks can accurately capture speaker discriminative characteristics and popular deep embeddings such as x-vectors are nowadays a fundamental component of modern diarization systems. Recently, some improvements over the standard TDNN architecture used for x-vectors have been proposed. The ECAPA-TDNN model, for instance, has shown impressive performance in the speaker verification domain, thanks to a carefully designed neural model. In this work, we extend, for the first time, the use of the ECAPA-TDNN model to speaker diarization. Moreover, we improved its robustness with a powerful augmentation scheme that concatenates several contaminated versions of the same signal within the same training batch. The ECAPA-TDNN model turned out to provide robust speaker embeddings under both close-talking and distant-talking conditions. Our results on the popular AMI meeting corpus show that our system significantly outperforms recently proposed approaches.