Miracle-dz/UniFAR-FTUs huggingface dataset:
Interpretation of the nontronite-dehydroxylate Mössbauer spectrum using EFG calculations

Dehydroxylated Garfield nontronite has been studied using Mossbauer spectroscopy. According to literature, in dehydroxylated Fe 3+ -rich dioctahedral 2:1 phyllosilicates (celadonites, glauconites and nontronites), the octahedral cations migrate from cis -into trans -sites with the formation of five-fold coordination of the former cis- and trans- octahedra. Therefore, the two main fitted doublets with quadrupole splittings, Δ, of 0.906 and 1.392 mm/s are supposed to be related to Fe 3+ in the former cis- and trans -octahedra. To assign these doublets to this or that positions, analysis of Pauling’s bond strength (PBS), structural modeling and EFG calculations were performed. The calculated quadrupole splittings for Fe 3+ located in the former cis- and trans- octahedra in the nontronite-dehydroxylate structure are equal to 1.295 and 1.026 mm/s, respectively. On the basis of the calculation results, the quadrupole doublet with smaller Δ should be assigned to the former trans -octahedra whereas the doublet with larger Δ should be assigned to the former cis -octahedra. The calculated EFG parameters proved to be independent of the mode in the layer stacking, which confirms the major role of the Fe 3+ nearest environment in the formation of the different EFGs at Fe nuclei. Possible disruptions of two-dimensional continuity of dehydroxylated octahedral sheets that may be a reason for superparamagnetic effects in nontronite-dehydroxylates at low temperatures are discussed in terms of the structural model of dehydroxylated Fe-rich dioctahedral 2:1 phyllosilicates.
Efficacy of rice cum dhaincha (Sesbania aculeata) intercropping on weed control, growth, yield and economics of rice

On farm trail was carried out during wet season of 2012 at farmer’s field of South Andaman. The experiment was laid out in randomized block design with five replications. At, 20 DAT, higher weed control efficiency (WCE) (68.9%) was recorded in application of butachlor at 1.25 kg/ha at 3 DATfb hand weeding (HW) at 30 DAT (T3). This was followed by intercropping of dhaincha fb 2-4 D sodium salt at 0.5 kg/ha on 30 DAT (T4). Whereas, at 40 DAT, higher WCE registered under intercropping of dhaincha fb 2-4 D sodium salt at 0.5 kg/ha on 30 DAT which was onpar with application of butachlor at1.25 kg/ha at 3 DATfb hand weeding at 30 DAT. Significantly higher grain (5.23 t/ha) and straw yield (8.14 t/ha) was recorded withapplication of butachlor at 1.25 kg/ha on 3 DAT fb HW on 30 DAT (T3). This was on par with intercropping of dhaincha fb 2-4 D sodium salt at 0.5 kg/ha on 30 DAT (T4) led to 35.1 % higher grain yield over unweeded check. Application of butachlor at 1.25 kg/ha on 3 DAP fb HW at 30 DAT registered the highest net return (Rs.32650/-) as well as benefit cost ratio of 2.66.
The Synthesis of Lycoxanthol and Its C-15 Epimer

In order to elucidate the absolute configuration of C-15 in natural lycoxanthol, (15R)-11,16-dihydroxy-12-methoxymethoxy-8,11,13-abietatrien-7-one and its (15S)-epimer were transformed into (15R)-12,16-epoxy-6,11,14-trihydroxy-5,8,11,13-abietatetraen-7-one (1a) and its (15S)-epimer, respectively. The synthetic 1a was identical with natural lycoxanthol. Thus, the stereochemistry of C-15 in the natural compound was conclusively assigned as R-configuration.
Preparation and properties of organosoluble montmorillonite/polyimide hybrid materials

Organosoluble montmorillonite/polyimide hybrids were prepared using a monomer solution intercalation polymerization method. Montmorillonite was organo-treated with p-aminobenzoic acid and the organosoluble polyimide was based on pyromellitic dianhydride and 4,4′-diamino-3,3′-dimethyldiphenylmethane. The particle size of montmorillonite in the hybrid containing 1 wt % of montmorillonite is about 400 nm. The strength and the toughness of montmorillonite/polyimide hybrids are improved simultaneously when the montmorillonite content is below 5 wt %. The thermal stabilities of montmorillonite/polyimide hybrids are obviously improved and their thermal expansion coefficients are reduced. When the montmorillonite content is below 5 wt %, the montmorillonite/polyimide hybrids are soluble in strong aprotonic polar organic solvents. © 1999 John Wiley & Sons, Inc. J Appl Polym Sci 73: 2063–2068, 1999
Alkaloid biosynthesis. Part XV. Partial synthesis and isolation of vincoside and isovincoside: biosynthesis of the three major classes of indole alkaloids from vincoside

Tryptamine acts as a precursor of the indole alkaloids in Vinca rosea. Secologanin (1) condenses with tryptamine to yield vincoside (2) and isovincoside (5), the absolute configuration of these products is determined and their chemistry is explored. It is demonstrated by single- and double-labelling experiments that vincoside is the precursor of representative indole alkaloids from the Corynanthe, Aspidosperma, and Iboga families in Vinca rosea; isovincoside is not involved in these biosyntheses. Vinca rosea plants are shown to contain vincoside, isovincoside, and N-acetylvincoside by a combination of radiochemical dilution analysis and direct isolation. [5-3H]-Loganin fed to Vinca rosea is incorporated efficiently into vincoside and isovincoside.The steps are discussed by which vincoside is converted into the three types of indole alkaloids and it is proved that the side-chain unsaturation of vincoside is essential for operation of the later biosynthetic stages. The main Part OF This work has been briefly reported.2,3
The Effect of Hyperbranched Polyester Epoxy Resin on the Curing Kinetics and Thermal Degradation Kinetics of the Diglycidyl Ether of Bisphenol-A Epoxy Resin

Hyperbranched poly(trimellitic anhydride butylene glycol)ester epoxy (HTBE) has relatively low viscosity and high molecular mass and holds great promise as a functional additive for enhancing the strength and toughness of thermosetting resins. The effect of molecular mass or generation and content of HTBE on the activation energy, reaction order, and curing time was discussed using DSC and TG techniques. The results indicated that HTBE could accelerate the curing speed and reduce the activation energy and reaction order of the curing reaction, and the thermal degradation activation energy (Ea 2) of HTBE/DGEBA hybrid resin also decreased remarkably in high temperature section.
Rehydration Behavior of Vacuum-Microwave-Dried Potato Cubes

Rehydration properties and microstructure of vacuum-microwave and hot air–dried potato cubes were examined. Two kinds of models were considered to describe the hydration kinetics: a diffusion model for a cube and two empirical equations, Peleg and Weibull. The values of the effective moisture diffusivity of soaked potatoes were in the range 1.17 × 10−9 to 4.73 × 10−9 m2/s. The vacuum-microwave drying technique resulted in puffed potato particles characterized by porous microstructure with a network of open cavities and the hot air drying gave the potato particles containing compacted cells with the low amount of open micro-caves. Higher rehydration ability was observed for the samples dried with microwaves under low pressure. Vacuum-microwave drying at 6 kPa seems to be the optimal drying condition for potato cubes, ensuring porous microstructure of dried material and low shrinkage of dried potato particles as well as their high recovery properties and rehydration.
Effect of Drying on the Composition of Essential Oil from Lavandula angustifolia

Abstract Qualitative and quantitative differences in essential oil hydrodistilled from fresh and dried flowers of lavender (Lavandula angustifolia) harvested in Poland were investigated by gas chromatography-mass spectroscopy (GC-MS) and near infrared spectroscopy (NIRS). Drying prior to hydrodistillation resulted in large losses of essential oil (over 40 %). Sixty-five compounds were identified in the essential oil isolated from fresh material and 73 in that from dried material. The main ingredients of the essential oil were oxygenated monoterpenes (over 70 %). Essential oil from dried lavender was shown to have smaller quantities of monoterpene esters (12.9 %) with an increased amount of alcohol (4.3 %). The possibility of using NIRS for rapid and precise identification of essential oils as well as for determination of the origin of plant material was successfully demonstrated.
Coadsorption of Sodium Dodecyl Sulfate with Hydrophobically Modified Nonionic Cellulose Polymers. 2. Role of Surface Selectivity in Adsorption Hysteresis

We studied the reversibility of coadsorption from mixtures of the anionic surfactant sodium dodecyl sulfate with either hydroxypropyl cellulose (HPC) or hydrophobically modified hydroxyethyl cellulose (hmHEC) using optical reflectometry. The coadsorption to nonselective hydrophobic poly(dimethylsiloxane) (PDMS) surfaces was compared with coadsorption to negatively charged silica surfaces that were selective for polymer adsorption. The surface selectivity determines the reversibility of coadsorption with respect to changes in the solution sodium dodecyl sulfate (SDS) concentration. On the selective silica surface, an adsorbed layer becomes kinetically trapped in path-dependent states because SDS is electrostatically repelled from the negatively charged surface and is therefore unable to solubilize the polymer/surface contacts. On the nonselective PDMS surface, coadsorption in the HPC/SDS system is reversible, and although some irreversibility persists in the hmHEC/SDS system, the severity of the kinetic tr.
Investigation of cellulose convertibility and ethanolic fermentation of sugarcane bagasse pretreated by wet oxidation and steam explosion

Sugarcane bagasse was pretreated by wet oxidation (WO) at 195 °C for 15 min under either alkaline, neutral or acidic conditions, and by steam explosion (STEX) at 205 °C for 10 min. Alkaline WO was more favourable than neutral and acidic WO for the following enzymatic hydrolysis of cellulose, giving 792 g kg−1 glucose yield after 48 h. The enzymatic hydrolysis of the fibres in the whole slurry was inhibited by inhibitory compounds contained in the prehydrolysate in comparison with the hydrolysis of the washed solid fibres in buffer. The inhibition increased proportionally with formic acid concentration in the pretreated liquid fraction. Cellulose conversion was higher for simultaneous saccharification and fermentation (SSF) than for separate hydrolysis. The highest SSF conversion (829 g kg−1) was obtained for the material treated by alkaline WO. The fermentability of the prehydrolysates by Saccharomyces cerevisiae was evaluated. Stronger inhibition of ethanolic fermentation was observed in the prehydrolysate obtained by steam explosion. The inhibition was more noticeable for the volumetric productivity than for the ethanol yield. The volumetric productivity was reduced by 94.5 and 91.2% for STEX and WO, respectively, whereas the ethanol yield was reduced only by 45.2 and 31.0%, correspondingly, for STEX and WO. Furan aldehydes seemed to be mainly responsible for the inhibition of the fermentation. Copyright © 2006 Society of Chemical Industry
Interactions of imidacloprid with organicand inorganic- exchanged smectites

Abstract Sorption of the polar insecticide imidacloprid on organic-saturated octadecylammonium (C18) and dioctadecyldimethylammonium (DOD) and inorganic- (Fe- ) saturated Wyoming (W) and Arizona (A) montmorillonites has been investigated. Sorption isotherms were fitted to the Freundlich equation. Imidacloprid-montmorillonite complexes were studied by X-ray diffraction and FT-IR techniques. Imidacloprid sorption coefficients, Kf, decreased in the order WC18> AC18> WFe> WDOD≥ ADOD. The low layer charge and saturation by primary alkylammonium cation facilitates sorption of imidacloprid in the interlayer of the smectite, corroborated by the increase in basal spacing observed in X-ray diffraction patterns and by the presence of absorption band shifts in FT-IR spectra. Imidacloprid sorbs in the interlayer space of smectite mainly by hydrophobic interactions with the alkyl chains in organic smectites and with the uncharged siloxane surface in Fe(III)-smectite. Further polar bonds between the NO2 group of imidacloprid and the NH of the primary alkyl cations and protonation of imidacloprid in Fe-smectites enhanced sorption in these cases.
Explicit cloud-top entrainment parameterization in the global climate model ECHAM5-HAM

Abstract. New developments in the turbulence parameterization in the general circulation model ECHAM5-HAM are presented. They consist mainly of an explicit entrainment closure at the top of stratocumulus-capped boundary layers and the addition of an explicit contribution of the radiative divergence in the buoyancy production term. The impact of the new implementations on a single column model study and on the global scale is presented here. The parameterization has a "smoothing" effect: the abnormally high values of turbulence kinetic energy are reduced, both in the single column and in the Californian stratocumulus region. A sensitivity study with prescribed droplet concentration shows a reduction in the sensitivity of liquid water path to increasing cloud aerosol optical depth. We also study the effect of the new implementation on a Pacific cross-section. The entrainment parameterization leads to an enhanced triggering of the convective activity.
Zinc(II) Bisterpyridine Complexes: The Influence of the Cation on the π-Conjugation between Terpyridine and the Lateral Phenyl Substituent

The synthesis and photophysical properties of an ethynylphenyl-substituted terpyridine ligand L and its corresponding zinc(II) complex [Zn(L)2](PF6)2, serving as model compounds for self-assembling Zn(II)-based metallopolymers suited for photoluminscent and electroluminescent devices, are presented. The UV−vis spectra are characterized, and the photoluminescence quantum yields are determined. The ground-state structures are calculated by means of DFT, and the structural key features are approved by experimental as well as by DFT-calculated Raman spectra. Special attention is paid to the π-electron delocalization between phenylene (ph) and pyridine (py) and, in particular, to changes in the ph−py bond due to complexation. The DFT-calculated ph−py bond shortening in [Zn(L)2](PF6)2 compared to L correlates well with the higher wavenumber of the v(ph−py(trig)) vibration, which involves strong ph−py bond stretching. The higher ellipticity in the ph−py bond due to complexation, calculated according to Bader’s Q.
Kinetics of Aluminothermic Reduction of MnO2 and Fe2O3: A Thermoanalytical Investigation

This paper presents the main kinetic parameters for aluminothermic reduction of MnO2 and Fe2O3. Aluminothermic reduction which in fact is a redox reaction requires an initial input of heat which is obtained through external reaction and/or oxidation of aluminium. In a system where oxidation as well as reduction take place simultaneously it is difficult to predict the kinetics of either reduction or oxidation. The present work aims at to describe the kinetics of reduction of MnO2 and Fe2O3 during aluminothermic reductions using simultaneous DTA/TG technique. If one understand the aluminium oxidation reaction then kinetics for the reduction of MnO2 and Fe2O3 can be obtained from DTA data for the overall reaction. Using suitable calibration constant a theoretical DTA curve is generated from the TG data to describe oxidation of aluminium. The oxidation data were deducted from the overall DTA data on redox reaction to obtain data on reduction only. The rate of generation of peak area for MnO2 and Fe2O3 thus obtained was a measure of reduction reaction rate.
An Assessment of Wind Turbine Characteristics and Wind Energy Characteristics for Electricity Production

This work is an analysis of wind turbine characteristics and wind energy characteristics of four regions around Elazig, Turkey, namely Maden, Agin Elazig and Keban. Wind speed data and wind direction in measured hourly time-series format is statistically analyzed based on 6 years between 1998 and 2003. The probability density distributions are derived from time-series data and distributional parameters are identified. Two probability density functions are fitted to the measured probability distributions. The wind energy characteristic of all the regions is studied based on the Weibull and the Rayleigh distributions. Using the Weibull probability density function, we estimated the wind energy output and the capacity factor for six different wind turbines between 300 and 2300 kW during the six years. It was found that Maden is the best region, among the regions analyzed, for wind energy characteristic and wind turbine characteristic.
Chemical flowsheet conditions for preparing urania spheres by internal gelation

Small, ceramic urania spheres can be prepared for use as nuclear fuel by internal chemical gelation of uranyl nitrate solution droplets. Decomposition of hexamethylenetetramine (HMTA) dissolved in the uranyl nitrate solution releases ammonia to precipitate hydrated UO/sub 3/. Previously established flowsheet conditions have been improved and modified at ORNL and have been applied to prepare dense UO/sub 2/ spheres with average diameters of 1200, 300, and 30 . mu.m. Acid-deficient uranyl nitrate (ADUN) solutions up to 3.4 M in uranium with NO/sub 3//sup -//U mole ratios of 1.5 to 1.7 are prepared by dissolution of U/sub 3/O/sub 8/ or UO/sub 3/. Continuous mixing of metered, cooled ADUN containing urea and HMTA solutions provides a smooth, regulated flow of the temperature-sensitive feed solution. The gelation times for solution drops in organic liquids at 45 to 95/sup 0/C depend on both the chemical reaction rates and the rates of heat transfer. The gel properties vary with temperature and other gelation variables. Gelation conditions were determined which allow easy washing, drying, firing, and sintering to produce dense UO/sub 2/ spheres of all three sizes. The 1200- and 300-. mu.m UO/sub 2/ spheres were pepared by gelation in trichloroethylene at 50 to 65/sup 0/C; 2-ethyl-l-hexanol wasmore » used as the gelation medium to prepare 30-. mu.m UO/sub 2/ spheres. Washing and drying requirements were determined. The gel dried to 225/sup 0/C contains about 95% UO/sub 3/; the remaining components are H/sub 2/O, NH/sub 3//sup -/, which are volatilized during firing to UO/sub 2/. « less
Comparative efficacy of different therapeutic regimens against brucellosis in cows

Bovine brucellosis has become a serious problem in Indian dairy herds because of certain religious, social and animal husbandry practices. Despite extensive studies on different aspect of disease in dairy cattle in past 50 years data on ‘optimum antibiotic treatment’ for therapeutic management of brucellosis is either not available or is still disputed. In the present study 24 cows (Brucella positive) were randomly divided into 4 group viz. T­­1­, T2, T3 and T4, each group comprising of 6 cows and treatment was given to them according to regimen. Combination of long acting Oxytetracyclin, Dihydrostreptomycin, Rifampicin and Isoniazid was found to be most effective followed by long acting Marbofloxacin, Dihydrostreptomycin, Rifampicin and Isoniazid combinations. Combination of long acting Enrofloxacin, Dihydrostreptomycin, Rifampicin and Isoniazid was reported to be least effective.
Breakdown in silicon oxide−A review

A review is given concerning measurement techniques and experimental results obtained on electrical breakdown in SiO2. Breakdown dependence on parameters such as time, thickness, temperature, and electrode material are covered, as well as the effect of various high‐temperature processing steps and the effect of ion implantation. The effects of sodium in causing time‐dependent breakdown are also reviewed. Special attention is given to the intrinsic breakdown mechanism in MOS capacitors where mechanisms involving impact ionization and positive charge buildup in the insulator are favored.
Electron Microscopy Investigation of Particulate Matter from a Dual Fuel Engine

The particulate matter (PM) of a dual fuel engine was characterized in size, morphology and fractal geometry by using scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Particulate samples were collected from the diluted exhaust of the engine operated on diesel fuel, natural gas (NG) and synthetic biogas. The engine operating condition was kept the same to compare the results between diesel and dual fuel PM. SEM images yielded agglomerate number, size distributions and a shape descriptor. TEM was used to investigate the primary particle size distribution in agglomerates and the fractal dimensions of the sampled PM. Long chainlike PM agglomerates appeared for the diesel high load condition, whereas PM agglomerates for dual fueling were found to be smaller in size and with more spherical shapes. All of the measured PM appeared to have a bi-modal number size distribution irrespective of engine fueling condition. The average primary particle diameter increased for dual fuel PM (ranging from 26.9 to 29.5 nm) compared to diesel PM (26.4 nm). The average diameter tended to increase with the introduction of CO2 in the gaseous fuel. PM fractal dimensions were in the range from 1.69 to 1.88 for different PM samples. Higher fractal dimensions (from 1.73 to 1.88) were obtained for dual fuel PM compared to diesel (high load) PM (1.69). This finding also implies that diesel PM are more chainlike and elongated compared to the PM measured for dual fueling conditions. The very different engine fueling conditions used here give valuable understanding of the formation processes of PM.
Elemental distribution in coal fly ash particles

Methods are developed to determine quantitative relative concentrations of elements in the aluminosilicate matrix and in nonmatrix or surface materials of coal flyash. The total element concentration is shown to be dependent on particle size and the solubility of elements in solutions of hydrochloric acid and hydrogen fluoride. Greater than 70% of the sodium, potassim, magnesium, iron, thorium, hafnium, and titanium is associated with the aluminosilicate matrix. More than 70% of the calcium, nickel, anthanum, scandium, strontium, and rare earth elements is associated with an acid-soluble phase. More than 70% of the zinc, cadmium, vanadium, selenium, tungsten, molybdenum, antimony, arsenic, and uranium is associated with surface material on the ash particles. The elements manganese, chormium, beryllium, copper, cobalt, barium, lead, and gallium are distributed about equally between matrix and nonmatrix material. (1 diagram, 6 graphs, 25 references, 3 tables)
THE AMPLITUDE OF FLUID-INDUCED VIBRATION OF CYLINDERS IN AXIAL FLOW

This report describes a new empirical expression of the amplitude of transverse vibration of cylindrical beams and clusters of cylinders in axial flow, for application to reactor fuel. The expression is based on reported experimental observations covering a variety of geometries, cylinder materials and types of support in water, superheated steam and two-phase mixture flows. (auth)