Miracle-dz/UniFAR-FTUs huggingface dataset:
Effect of Laser Radiation on Optical Properties of CdO Thin Films

CdO thin films were prepared by chemical spray pyrolysis technique. The study of laser radiation was held in this research in order to estimate the influence of laser on the optical parameters of CdO thin films. The transmittance was increased after laser radiation in comparison with its values before irradiation. While the absorbance shows a trend of increasing in the low wavelength region and increasing in the high wavelength region. The value of the optical energy gap was increased after irradiation. All the rest optical constants under investigation were affected by laser radiation showing decrement on their values.
Synthesis and spectroscopic properties of a series of novel 2-aryl-3-phenyl-2,3-dihydro-4H-1,3-benzothiazin-4-ones

A series of thirteen novel 2-aryl-3-phenyl-2,3-dihydro-4 H -1,3-benzothiazin-4-ones was prepared at room temperature by T3P-mediated cyclization of N -phenyl- C -aryl imines with thiosalicylic acid. The spectroscopic and physical properties are reported and discussed. 1 H-19 F and 13 C-19 F couplings were observed in the NMR spectra of fluorinated compounds. Through-space interactions were observed in the 1 H and 13 C NMR spectra of the ortho -nitro compound. Trends were observed in the IR and UV absorptions of the ortho / meta / para -nitro series.
Preliminary Clinical and Epidemiological Analysis of the First 1,000 Pediatric COVID-19 Cases in Moscow Region

Rationale. The novel coronavirus infection caused by SARS-CoV-2 (COVID-19) continues to spread worldwide, though the epidemiological situation varies across countries. It is of interest to estimate the pediatric incidence in a separate constituent entity of the Russian Federation, Moscow Region (MR) closely connected with Moscow (accounting for the highest number of COVID-19 cases in Russia). Assessment of the epidemiological data is interesting due to the late onset of the epidemic outbreak, the preventive lockdown imposed during the early stages, and extensive testing of all the identified contacts.Purpose of the study: Assessment of the pediatric incidence of COVID-19, including identification of its main clinical and epidemiological characteristics, based on the monitoring data for the current situation in MR.Materials and methods. A retrospective analysis of all pediatric cases of laboratory-confirmed COVID-19 in MR (1,047 children of all ages) was performed. The time span covered the data of the daily monitoring of the epidemiological situation from the beginning of reporting (53 days in total). The information was obtained from the database of the Rospotrebnadzor Territorial Administration of MR and collected in compliance with the regulations on Daily Monitoring of Children with Coronavirus Infection, Management Section, State Information System, MR.Results. The pediatric cases of COVID-19 accounted for 6.3% (95% CI2 5.9–6.7) of all the cases reported by 6/5/2020 (16,590); the total infection rate of the pediatric population in the region was 0.07% (0.06–0.09). The basic reproduction number ranged from 4.8 (during the two-week exponential growth phase) to 2.7 (during the later period characterized by a slowdown in the incidence rate) and averaged 3.8 (3.0–4.57). The clustering rate of COVID-19 among children was high, reaching 82.8% (79.7–85.6) with a small average number of cases detected in the cluster — 1.21 (1.16–1.26). Asymptomatic COVID-19 cases prevailed significantly, amounting to 62.2% (59.2–65.1), including 73.1% in newborns; severe cases accounted for 0.38% (0.35–0.41) and hospitalized cases totaled 12.0 (10.1–14.2). No death cases were reported. The mean age of the diseased and infected was 8 [4; 13] years old. Boys prevailed insignificantly (53.2%). Conclusion. There is a distinct stage-by-stage development of the epidemic situation among children in MR. In the pediatric population, COVID-19 was generally acquired from a secondary household transmission within family clusters. Early preventive measures and extensive testing helped to reduce the period of exponential growth and, therefore, to avoid large clusters of infection. In addition, 17.2% of the COVID-19 clusters were identified as those where the child was the first to become sick. In the future, it is necessary to practice distancing and provide effective isolation of diseased children and adults, since the high rate of incidence in children can lag behind the incidence rate in adults.
Binding geometries of silicate species on ferrihydrite surfaces

Silicate sorption on ferrihydrite surfaces, as monomers, oligomers, and polymers, strongly affects ferrihydrite crystallinity, thermodynamic stability, and surface reactivity. How these silicate species bind on ferrihydrite surfaces is, however, not well understood. We have determined silicate binding geometries using a combination of X-ray absorption spectroscopy (XAS), differential atomic pair distribution function (d-PDF) analysis, and density functional theory (DFT) calculations. Silicon K-edge absorption pre-edges and DFT-predicted energies indicate that silicate forms monomeric monodentate–mononuclear (MM) complexes at low silicate sorption loadings. With increasing silicate loading, the pre-edge peak shifts to higher energies, suggesting changes in the silicate binding geometry toward multidentate complexation. The d-PDF analysis determines the Si–Fe interatomic distance to be ∼3.25 A for the high-loading samples. The DFT calculations indicate that such distance corresponds to an oligomer in the bi.
The Influence of Processing on the Chemical and Electrophoretic Patterns of Water-Soluble and Salt-Soluble Proteins in Blue Crabs.

x INTRODUCTION. 1 LITERATURE REVIEW. 2 Crabs-Taxonomy, Commercial and Historical Perspectives. 2 Proteins in Seafood. 5 (a) Classification. 5 (b) Composition. 7 (c) Extractabillty. 8 Blue Crab Processing-Associated Problems. 15 (a) General. 15 (b) Qualitative Changes in Flavor, Nitrogen and Protein. 15 (c) Waste Disposal. 16 (d) Discoloration. 17 Electrophoresis-Application to the Study of Bovine and Fishery Products. 20 MATERIALS AND METHODS. 22 Sampling. 22 Chemicals. 22
Domino-reactions of 1,2-benzoxathiin-4(3H)-one 2,2-dioxide, hetarenecarbaldehydes and active methylene nitriles in the construction of new 2-amino-4H-pyrans and the study of their antimicrobial properties

Multicomponent domino reactions are an effective modern approach in the synthesis of different types of organic compounds, including biologically active pyrans. Aim. To study the three-component interaction of 1,2-benzoxathiin-4(3H)-one 2,2-dioxide with different hetarenecarbaldehydes and active methylene nitriles in order to synthesize new 2-amino-4H-pyran derivatives, as well as the antimicrobial activity of the compounds obtained. Results and discussion. 2-Amino-4-heteryl-4,6-dihydropyrano[3,2-c][2,1]benzoxathiin-3-carbonitrile 5,5-dioxides were obtained by stepwise and multicomponent reactions of 1,2-benzoxathiin-4(3H)-one 2,2-dioxide with hetarenecarbaldehydes and malononitrile. For the same interaction with ethyl cyanoacetate the reaction selectivity decreased and not only target ethyl 2-amino-4H-pyran-3-carboxylates were obtained, but also triethylammonium salts of bis(1,2-benzoxathiin-2,2-dioxo-4-ol-3-yl)(heteryl)methane. The latter were also purposefully synthesized by the two-component reaction of 1,2-benzoxathiin-4(3H)-one 2,2-dioxide with hetarenecarbaldehydes in the presence of triethylamine. The compounds obtained revealed a higher antimicrobial activity against gram-positive bacteria and fungi compared to the reference drugs. Experimental part. 3-Amino-4-heteryl-4,6-dihydropyrano[3,2-c][2,1]benzoxathiin-3-carbonitrile 5,5-dioxides and triethylammonium 3-[1-(4-hydroxy-2,2-dioxido-1,2-benzoxathiin-3-yl)heteryl]-1,2-benzoxathiin-4-olate 2,2-dioxides were synthesized. The antimicrobial activity of the compounds synthesized was studied by the agar diffusion method. Conclusions. It has been proven that the multicomponent format for the three-component interaction of 1,2-benzoxathiin-4(3H)-one 2,2-dioxide with hetarenecarbaldehydes and active methylene nitriles is more favorable and convenient than the stepwise approach to obtain new derivatives of 2-amino-4H-pyrans. Triethylammonium 3-[(4-hydroxy-2,2-dioxido-2,1-benzoxathiin-3-yl)heteryl]-2,1-benzoxathiin-5-olate 2,2-dioxides have been also synthesized. The antimicrobial properties of the compounds obtained are higher than in the reference drugs, especially against gram-positive bacteria and fungi.
Revision of the CaCO3–MgCO3 phase diagram at 3 and 6 GPa

Abstract Subsolidus and melting relationships for the system CaCO3–MgCO3 have been reexamined using a Kawai-type multi-anvil apparatus at 3 and 6 GPa in graphite capsules. Phase boundaries were delineated according to the chemical composition of phases measured by electron microprobe in energy dispersive mode and identification of crystal phases by Raman spectroscopy. At 3 GPa, the dolomite-magnesite solvus intersects the melting loop at about 1250 °C, and the isothermal three-phase line so produced represents the peritectic reaction: dolomite (Ca# 43) = magnesite (Ca# 13) + liquid (Ca# 48), where Ca# = 100·Ca/(Ca+Mg). The melting loop for the CaCO3–MgCO3 join extends from 1515 °C (CaCO3) to 1515 °C (MgCO3) through a liquidus minimum at 1230 °C (near 53 mol% CaCO3). Starting from 1425 °C at ≤ 30 mol% CaCO3 in the system, the liquid quenches to dendritic carbonate and periclase and contains rounded voids, indicating an incongruent melting reaction: MgCO3 (magnesite) = MgO (in liquid) + CO2 (fluid and/or liquid). At 6 GPa, aragonite + magnesite assemblage is stable up to 1000 °C. The reaction aragonite + magnesite = dolomite locates between 1000 and 1050 °C. The presence of dolomite splits the system into two partial binaries: aragonite + dolomite and dolomite + magnesite. The dolomite-magnesite solvus intersects the melting loop between 1400 and 1450 °C, and the isothermal three-phase line so produced represents the peritectic reaction: dolomite (Ca# 31) = magnesite (Ca# 21) + liquid (Ca# 57). The melting loop for the CaCO3–MgCO3 join extends from 1660 °C (CaCO3) to 1780 °C (MgCO3) through a liquidus minimum at 1400 °C and 62 mol% CaCO3. The compositions of carbonate crystals and melts from the experiments in the carbonated eclogite (Yaxley and Brey 2004) and peridotite (Dalton and Presnall 1998) systems are consistent with the geometry of the CaCO3–MgCO3 melting loop at 3 and 6 GPa: Ca-dolomite melt coexists with Mg-calcite in eclogite and peridotite at 3 GPa and dolomite melt coexists with magnesite in peridotite at 6 GPa.
Chemical Synthesis and Characterization of 3-layer Bi2-yPbySr2Nb2Ti1-xAlxO12-d Aurivillius Ionic Conductors and La1-xSrxCoO3 Cathode Ceramics

Aurivillius phases of the type Bi2Sr2Nb2TiO12 and Bi1.6Pb0.4Sr2Nb2Ti1-xAlxO12 (0.0 ≤ x ≤ 0.8) were synthesized by the polymerized complex method involving an organo-metallic precursor. The effect of raising the pH of the solution on the temperature of crystallization formation was investigated through the addition of ammonium hydroxide. Infrared (IR) and nuclear magnetic resonance (NMR) spectra were obtained at various points in the reaction to aid in developing a reaction mechanism. The spectroscopic data showed the formation of an ester as well as an amide with the addition of ammonium hydroxide after polymerizing to 170 °C. Inductively coupled plasma (ICP) spectroscopy qualitatively showed that bismuth, strontium, niobium and titanium ions were all volatilizing out with solvent evaporation. Pure Bi2Sr2Nb2TiO12 was formed after heat treatment for 5 hours at 900 °C. High temperature x-ray powder diffraction showed crystalline phase formation beginning at 700 °C. Phase pure Aurivillius structures were obtained with firing temperatures as low as 700 °C when the solution pH was adjusted to 9.00. A solubility limit of aluminum was discovered for Bi1.6Pb0.4Sr2Nb2Ti1-xAlxO12 at x ≥ 0.4. For x ≥ 0.4 two additional phases that formed were identified as bismuth oxide and strontium-aluminum oxide by x-ray diffraction (XRD). Scanning electron microscope – backscattered electron (SEM-BSE) images confirmed the presence of two additional phases at x = 0.6 and x = 0.8. Total conductivity of Bi1.6Pb0.4Sr2Nb2Ti1xAlxO12 at 1123 K ranged from 1.74 x 10 S•cm for x = 0.0 to 4.76 x 10 S•cm for x = 0.8 stemming from oxygen vacancy formation as well as the evolution of bismuth oxide past the solubility limit. La1-xSrxCoO3 (0.1 ≤ x ≤ 0.9) ceramics were also synthesized by the polymerized complex method. Rietveld refinement of x-ray powder diffraction data indicated that La1-xSrxCoO3 adopts a cubic unit cell from 0.9 ≥ x ≥ 0.7, ultimately distorting to a rhombohedral unit cell at x ≤ 0.6. The lattice parameter in the cubic unit cell ranged from 3.833(1) Å at x = 0.7 to 3.838(9) Å at x = 0.9. The lattice parameter and cell angle in the rhombohedral unit cell ranged from 5.3935(9) Å and 60.6866(9)° at x = 0.1 to 5.416(4) Å and 60.080(4)° at x = 0.6.
The effect of a partial nanocrystallization on the transport properties of amorphous/crystalline composites

Face to the growing technological needs in the modern society, the need has arisen of developing novel multifunctional materials, able to simultaneously assure different functions.This is especially important in advanced technologies, such as microelectronics and energy harvesting, where heat dissipation reduction is essential, while keeping good electrical properties.Optimizing such materials represents however a challenging task: lowering thermal conductivity generally implies lowering the electrical conductivity as well. A new strategy has recently aroused consisting in exploiting heterogeneous materials at the nanoscale, so-called “nanocomposites”. Despite their great potential, the fundamental understanding of their properties is still lacking.In this thesis, we present a fundamental investigation of the transport properties in composites made of nano-inclusions embedded in an amorphous matrix, aimed to get a microscopic insight into the mechanisms ruling transport in such materials.To this purpose, we have carried on an experimental study in two intermetallic composites, based on a metallic glass and a chalcogenide glass, where crystalline inclusions were directly obtained from the glass temperature-induced recrystallization.We find that transport behavior is strongly dependent on the properties’ contrast between the amorphous matrix and the crystalline inclusions.Our findings are comforted by our theoretical results, obtained by molecular dynamics simulations on a model composite system, which highlight the effect of the rigidity contrast on the vibrational properties of such material, and thus on thermal transport
Composition dependence of fundamental properties of Cd1xCoxTe magnetic semiconductor alloys

Ab initio calculations based on density func- tional theory have been performed using the full-potential augmented-plane-wave method so as to investigate the com- position dependence of the electronic structure and funda- mental properties of hypothetical zinc-blende Cd1−xCoxTe magnetic semiconductor alloys at low Co concentrations. To treat the exchange and correlation energies, the generalized gradientapproximation(GGA)ofPerdew-Burke-Ernzerhof has been used. In addition, the modified Becke-Johnson exchange potential with the GGA approach is used for the band structure providing high accuracy. It is found that the addition of a small amount of Co atoms in the Cd1−xCoxTe makes the latter less compressible, ferromag- netic and exhibiting a half metallic character. Besides, the composition dependence of the real and imaginary parts of thedielectricfunctionhasbeenexaminedanddiscussed.The information derived from the present study may be useful for spintronics technological applications.
Effect of organic inputs and inorganic nutrients on growth and yield of Cluster bean (Cyamopsis tetragonoloba (L.) Taub

An experiment was conducted during winter 2012 at Department of Horticulture, Faculty of Agriculture, Annamalai University, Tamil Nadu. The Experiment was conducted in Randomized Block Design (RBD) with 12 treatments and 3 replications in the inorganic (NPK) and organic (vermicompost) were allotted to 7 different combinations of biofertilzers (Rhizobium + Pseudomonas fluorescence) and micronutrients (Zn and Fe). Results showed super imposition of 25% N organic (recommended dose of N through vermicompost) to 100% NPK (recommended dose of NPK through fertilizers), being at par with 100% NPK + 50% N organic resulted in significant improvement in growth character, plant height, branches plant-1, and yield attributes (pod length, pods plant -1 and grains pod-1) and nutrient (N, P, K, S, Zn and Fe) uptake was higher under 100% NPK + 25% N organic level. The combined effect of biofertilizers and micronutrients (biofertilizer + Zn + Fe treatment) was significantly better than their individual effects as this treatment significantly improved growth characters, yield attributes and integration of 100% NPK +25% N organic and biofertilizer + Zn + Fe was conducive for getting significantly optimum yield.
Effect of intermittent microwave drying on biophysical characteristics of rice

The dehydration performance of intermittent microwave drying and its effect on the biophysical characteristics of rice (Oryza sativa L.) were quantified. Three pulse ratio levels (PR2, PR3, and PR5) were tested. Two dehydration performances (temperature and drying rate) and seven biophysical quality indices (moisture content, microstructure, glass transition temperature, color, hardness, crack percentage, and germination) of rice were measured. Different semi-empirical moisture ratio models were optimized to fit the experimental data. The results showed that the temperature of rice treated by PR2, PR3, and PR5 were significantly different from each other during the process. The rice temperature dried by PR5 was the lowest and it tended to be constant at the late stage. The average drying rates of rice treated by PR2, PR3 and PR5 were 0.568, 0.437, 0.265% w.b. gg−1.min−1, respectively. With the increase of pulse ratio, the porosity of kernel glume cross section and the glass transition temperature of dried rice decreased. The moisture content changed significantly (p < .05). However, the hardness and color of rice showed no significant differences (p < .05). The crack quality and germination rate of dried rice treated by PR5 were significantly higher than those of the other treatments (p < .05). Page model was found to be the most fitted model. By considering the drying performance and quality, PR5 was the most suitable microwave drying treatment for rice. Practical applications Rice is one of the most important staple food sources of human being. Newly harvested rice are wet and easy to mildew, need to be dried for the sack of long-term storage. Compared with conventional hot air drying, intermittent microwave drying greatly improved the drying rate of rice. High pulse ratio treatment can significantly reduce the temperature rise speed of rice, and comprehensively improve the bio-physical quality of rice, for example, crack percentage, germination rate and so on. The application of the mathematical model of rice drying performance provided a reference for the design of drying process. The research results are helpful to the application of intermittent microwave drying technology in rice drying industry.
Gold-Nanoparticle-Encapsulated ZIF-8 for a Mediator-Free Enzymatic Glucose Sensor by Amperometry

A novel method has been developed for the encapsulation of gold nanoparticles (AuNPs) and glucose oxidase (GOx) together into the cavity of a zeolitic imidazolate framework (ZIF-8) in aqueous media and subsequently used for amperometric glucose sensing application. ZIF-8 is a highly efficient, stable (thermally and chemically) microstructure and possesses a large surface area with a unique cavity to accommodate both AuNPs and GOx. The as-synthesized composite is thoroughly characterized by various physicochemical methods and confirms the uniform distribution of AuNPs within the metal–organic framework cavity. The presence of highly conducting AuNPs enhances the activity of GOx and facilitates the mediator-free tandem electrocatalytic reactions of both glucose oxidation and oxygen reduction. Further, the nanocomposite exhibits admirable stability with low-level detection of glucose in aqueous media (50 nM glucose) by using a very low concentration of GOx (62 μg in 1 mL).
Higgs boson cross sections for the high-energy and high-luminosity LHC: cross-section predictions and theoretical uncertainty projections

This note summarizes the state-of-the-art predictions for the cross sections expected for Higgs boson production in the 27 TeV proton-proton collisions of a high-energy LHC, including a full theoretical uncertainty analysis. It also provides projections for the progress that may be expected on the timescale of the high-luminosity LHC and an assessment of the main limiting factors to further reduction of the remaining theoretical uncertainties. https://twiki.cern. ch/twiki/bin/view/LHCPhysics/LHCHXSWG
Multifunctional cellulose-containing fabrics using modified finishing formulations

Several metal oxide nanoparticles (MO–NPs), namely ZrO–NPs, ZnO–NPs, and TiO2–NPs, have been used to modify traditional finishing formulations to develop multifunctional cotton-containing fabrics. The fabrics used were cotton (100%), cotton/polyester blend (65/35) and cotton/polyester blend (50/50), which were treated with each finishing formulation using the pad-dry-cure technique. The imparted functional properties in the absence and presence of the nominated MO–NPs were evaluated. The positive effects of the incorporated MO–NPs in improving and/or imparting new functional properties, like easy-care, UV-protection, antibacterial functionality, water and oil repellency and flame proofing efficiency, were shown to be governed by the type of substrate and its cellulosic/polyester components, type of MO–NPs, finishing formulation components and mode of interaction between the active ingredients and active sites of the treated substrate. Tentative mechanisms were suggested, and the surface modification and composition of the selected fabric samples were analyzed using SEM and EDX. Future studies will further investigate the impact of incorporating the nominated MO–NPs with other active ingredients in the finishing formulation on the durability of fabric against washing, as well as on the change in other performance and physicomechanical properties.
Aromatic and terpenic compounds loaded in lipidic nanocapsules: activity against multi-drug resisant Acinobacter baumannii assessed in vitro and in a murine model of sepsis

Given the spread of multidrug resistance and the number of antibiotics in development, finding new antibacterial strategies becomes necessary. One of these strategies is to use extracts of essential oils that are a potential reservoir of effective antibacterial molecules. The objective of the study was to evaluate the possibility of administering to animal, mixtures of carvacrol and eugenol (phenols), cinnamaldehyde (aldehyde) and/or β-caryophyllene (alkene) encapsulated in lipid nanocapsules to provide an optimal bio distribution and antimicrobial efficacy. These suspensions were tested in vitro and the results showed an important antibacterial activity against A. baumannii, a multidrugresistant microorganism responsible for outbreaks in intensive care units, similar to the activity of non-encapsulated mixtures. Subsequently, the suspensions activities were assessed with a murine model of sepsis using the same A. baumannii strain. These preliminary results showed a mice survival varying from 45% to 55%. It is the first time that antimicrobial essential oils can be administered intraperitonneally. via nanomedicine. These results are encouraging and further studies are needed to pursue the development of this strategy.