Miracle-dz/UniFAR-FTUs huggingface dataset:
Using scattered hyperspectral imagery data to map the soil properties of a region

Airborne hyperspectral imagery has been recently proved to be a successful technique for predicting soil properties of the bare soil surfaces that are usually scattered in the landscape. This new soil covariate could much improve the digital soil mapping (DSM) of soil properties over larger areas. To illustrate this, we experimented with digital soil mapping in a 24.6‐km2 area located in the vineyard plain of Languedoc. As input data, we used 200 points with clay content measurements and 192 bare soil fields representing 3.5% of the total area in which the clay contents of the soil surface were successfully mapped at 5‐m resolution by hyperspectral remote sensing. The clay contents were estimated from CR2206, a spectrometric indicator that quantifies specific absorption features of clay at 2206 nm. We demonstrated by cross‐validation that the co‐kriging procedure based on our co‐regionalization model provided accurate error estimates at the clay measurement sites. Then, we applied a block co‐kriging model to map the mean clay content at increasing resolutions (50 , 100, 250 and 500 m). The results showed the following: (i) using hyperspectral data significantly increased the accuracy of the mean clay content estimations; (ii) a block co‐kriging procedure with reliable estimates of error variance can be used to estimate mean clay contents over larger areas and at coarser resolutions with acceptable and predictable errors and (iii) various maps can be produced that represent different compromises between prediction accuracy and spatial resolution.
Isolation and Characterization of Stigmasterol and Bis-(5, 7-diacetyl-catechin-4’-α- rhamnopyranoside) from the Stem bark of Neocarya macrophylla (Sabine) Prance (Chrysobalanaceae)

Neocarya macrophylla belongs to the Chrysobalanaceae family and is extensively used in folk medicine as an antibacterial, antivenin, antiasthmatic, anticancer, analgesic and anti-inflammatory agent. This study was aimed at isolation and characterization of compounds from the stem bark of Neocarya macrophylla. Pulverized plant material was exhaustively extracted with methanol using maceration method and concentrated invacuo with the aid of rotary evaporator at 40oC to afford a reddish brown crude methanol extract (ME). The methanol extract was successively partitioned into hexane, dichloromethane, ethylacetate, n-butanol and aqueous fractions. Stigmasterol was isolated from the hexane fraction and a catechin glycoside, Bis-(5,7-diacetyl-catechin-4’-α- rhamnopyranoside) was isolated from the ethylacetate soluble fraction using a combination of silica gel column, gel filtration (sephadex LH-20) and preparative thin layer chromatography. The structures of the compounds were established on the basis of chemical tests, spectroscopic analysis and by comparison with reference spectral data. Keywords : Neocarya macrophylla , phytochemical, stigmasterol, Bis-(5, 7-diacetyl-catechin-4’-α-rhamnopyranoside).
Effect of nitrogen and potassium on yield, yield attributes and quality of summer pearlmillet.

The field experiment was conducted on medium black calcareous soils of the Instructional Farm College of Agriculture, JAU, Junagadh during summer season. The results revealed that the significantly higher grain and stover yields, yield attributes as well as quality parameters were obtained with application of N @ 120 kg ha and K @ 120 kg ha. The grain yield of summer pearlmillet increased to the tune of 49.06 and 37.27 per cent with application of 160 kg N ha and 120 K 2 O ha as compared to control, respectively. The grain (3536 kg ha) and stover (6793 kg ha) yield of pearlmillet were obtained significantly higher under combined application of N 160 K 80 over control i.e. N 0 K 0 .
The Arrangement of First- and Second-Sphere Water Molecules in Divalent Magnesium Complexes: Results from Molecular Orbital and Density Functional Theory and from Structural Crystallography

The structures and binding enthalpies of a variety of gas-phase divalent magnesium ion hydrates containing up to 18 water molecules have been studied computationally. Second-order Moller−Plesset (MP2) perturbation theory and B3LYP hybrid density functional theory, using large basis sets containing both (multiple) polarization and diffuse functions, were employed. A comparison with experimental data is made by use of information on 36 Mg[H2O]62+ crystal structures listed in the Cambridge Structural Database. Computational studies indicate that Mg[H2O]52+ and Mg[H2O]62+ complexes with all the water molecules in the inner coordination sphere are lower in energy than structures with one or two of the water molecules placed in the second coordination sphere; these energy differences are larger for MP2 than for B3LYP calculations, when the same basis set is employed. Hydrated magnesium environments in crystal structures confirm the stability of the Mg[H2O]62+ grouping. A new model of a divalent magnesium ion co.
Ammonia fertilizer influences atrazine adsorption-desorption characteristics

The application of ammonia-based fertilizer (anhydrous ammonia, aqua ammonia, and urea) initially increases soil pH. Changes in soil pH influence dissolved organic carbon (DOC) concentrations in soil solution and herbicide sorption characteristics to soil. A batch study was conducted to evaluate the influence of ammonia application on atrazine [2-chloro-4-(ethylamino)-6 -(isopropylamino)-1,3,5-triazine] adsorption and desorption characteristics to a Brandt silty clay loam (fine silty, Pachic Udic Haploborolls) and Ves clay loam (fine silty, mixed mesic typic Hapludalf). Ammonia treatment rates were equivalent to N concentrations found in bands when 0, 100, and 200 kg of N ha-1 were injected to soil. Atrazine treatments were 0 (0.01 M CaCl2), 2.08, 6.57, or 50.80 micromoles of atrazine L-1. The application of 200 kg of N ha-1 increased soil pH from 6 to 9 and increased the DOC concentrations from 60 to 700 ppm in the soil solution. The addition of ammonia decreased atrazine sorption by 50% and doubled atrazine desorption. Ammonia-induced changes in both pH and DOC concentration appeared to influence atrazine sorption characteristics. Ammonia-induced changes in atrazine sorption/desorption characteristics have the potential to increase atrazine movement through soil. These results suggest that atrazine movement may be reduced by physically separating the application of atrazine and ammonia-banded fertilizers.
High Resolution Emission Inventory of NOx and CO for Mega City Delhi, India

In order to support as critical input to air quality forecasting task during Commonwealth Games (CWG) – 2010 in mega city Delhi, we have developed a high resolution emission inventory of major atmospheric pollutants. For the same, inventories of ozone precursors like NOx and CO are developed over a domain of 70 km × 65 km with a grid of 1.67 km × 1.67 km resolution covering Delhi and surrounding region using Geographical Information System (GIS) technique for base year 2010. All possible source of emission like transport, thermal power plants, industries, residential, slum cooking and commercial cooking are taken into account for the first time. It has been found that total emissions of NOx and CO over the study area are found to be 255 and 703 Gg/yr for 2010 respectively. The spatial distributions of major hot spots are discussed with possible dominant sources at particular regions. The present inventory will help to improve the modeling study over mega city, Delhi and its surrounding regions.
Kinetics of Stable Free Radical Mediated Polymerization inside Submicron Particles

Controlled/living radical polymerization systems in which the active period is extremely small, Φ A << 1, such as the cases of stable free radical mediated polymerization (or nitroxide mediated polymerization) and atom transfer radical polymerization, are considered theoretically. The polymerization rate, R p , for such systems increases by lowering the trapping agent concentration [X]. When the polymerization is conducted inside small particles, R p decreases with D 3 p below the diameter D p,SMC at which a single molecule concentration (SMC) is equal to [X] bulk . On the other hand, when the average number of trapping agents in a particle n X is smaller than about 10, the fluctuation of n X among particles is significant, which leads to a larger R p than in the cases where all particles contain the same n X . Because of the effects of SMC and fluctuation, R p may show an acceleration window, D p,SMC < D p < D p,Fluct where R p is slightly larger than that in bulk.
Using HPLC method with DAD detection for the simultaneous determination of 15 drugs in surface water and wastewater

Using HPLC method with DAD detection for the simultaneous determination of 15 pharmaceuticals from different therapeutic groups in surface water and wastewater was proposed. The determined drugs included the analgesic non-steroidal anti-inflammatory drugs (NSAIDs) paracetamol (PAR), metamizole (MTZ), aspirin (ASP), salicylic acid (SAL), ibuprofen (IBU), ketoprofen (KET), diclofenac (DIC), and naproxen (NAP); the corticosteroids dexamethasone (DEX) and prednisolone (PRE); the β-blockers carvedilol (CAR), metoprolol (MET), propranolol (PRO), and sotalol (SOT); and the anticonvulsant carbamazepine (CBM). Three solid-phase extraction (SPE) columns were examined for the pre-concentration of water samples: the Oasis HLB, NEXUS and Bond Elut ENV. The concentration level for which each method was validated in spiked water samples was 0.2 μg/L. The Oasis HLB column yielded the best recovery efficiency. Different HPLC columns were examined to achieve the best separations with the shortest possible time. The best column, C30 and was used for the determination of drugs from water samples. The proposed method was applied to the analysis of water samples, mostly from rivers, and can be used for screening as a rapid and low-cost analytical tool. However, to confirm the positive findings MS techniques should be applied.
Teores de nutrientes na folha, qualidade do suco e massa seca de raizes de laranja-"Valência" em função da irrigação e fertirrigação

The present work was developed in the Experimental Area of Irrigation of University of Agrarian and Veterinary Sciences of Jaboticabal/Unesp, with the objective of evaluating the effect of the fertigation on the foliar teor of macro and micronutrients, the fresh weight of roots and the juice quality of fruits in an orange "Valencia" orchard. The used treatments were: (SI) without irrigation and manuring with solid fertilizer parceled out in four times; (MI-100) micro sprinkler fertigation with 100% of the evapotranspiration; (MI-50) micro sprinkler fertigation with 50% of the evapotranspiration; (G-100) drip fertigation with 100% of the evapotranspiration and (G-50) drip fertigation with 50% of the evapotranspiration. The foliar analysis showed no difference of macro and micronutrients by treatments for this parameter. Total soluble solids was higher in the treatment without irrigation, and fruit juice percent and "ratio" were not affected by treatments with and without irrigation. The fresh weight of roots was higher in the irrigated treatments, but no differences were observed between drippers and micro sprinklers treatments. The root concentration was higher at 10 cm deep and 30 cm from the emissor.
Inter-Ring Torsions in N-Phenylmaleimide and Its o-Halo Derivatives: An Experimental and Computational Study

Structures of N-phenylmaleimide and its o-halophenyl derivatives have been determined in the solid state and show the angle between the phenyl and pyrolinyl ring planes to vary from 49.5° to 83.9° with increasing values for compounds with the larger ortho halophenyl substituents (H < F ≲ Cl ≲ Br < I). Experimental torsions and trends in the series are supported by semiempirical AM1 and ab initio SCF, DFT, and MP2 calculations. Calculations (AM1) on N-phenylmaleimide modeling the torsional deformation between the rings show that the barrier to planarity has a lower energy than that through a perpendicular conformation. In its o-halo derivatives, molecular planarity is not possible, and torsional deformation proceeds through the perpendicular conformation with diminishing, possibly vanishing, barriers with increasing halogen size. For chloro, bromo, and iodo derivatives, twisted ground-state molecular conformations reside in broad minima essentially centered around the perpendicular conformations. The unusu.
Etude des fautes d'empilement dans les kaolinites partiellement désordonnées. II. Modèles d'empilement comportant des fautes par rotation

This work describes a method of calculating the profile of the X-ray diffraction bands (for a powder) for partially disordered kaolinites containing rotational stacking faults. The profiles of the bands have been calculated for stackings containing ±2π/3 rotational faults. These faults are such that two first neighbouring layers (i) are translated as in a perfect kaolinite but additionally rotated by +2π/3 or −2π/3; (ii) are disposed strictly as in dickite, or (iii) start with the enantiomorphic kaolinite structure. Among the different models envisaged, only the model with faults of the first type mentioned above seems to agree with the experimental profiles of the different natural kaolinites.
A continuum percolation model for dispersed ionic conductors

A continuum percolation model for heterogeneous mixtures of an ionic conducting solid salt with an insulating second phase is introduced. In this model, the insulating phase is represented by spherical random voids (the Swiss Cheese model) which are allowed to overlap and are randomly distributed in a conducting matrix (the solid salt). A characteristic feature of the model is the existence of a highly conducting spherical shell surrounding the voids, representing the internal interface between the oxide particle and the conducting salt. The relevance of the model for describing the observed effects of insulating particle size on the conductivity of dispersed ionic conductors is critically discussed.
On the morphology of polymer‐based photovoltaics

We review the morphologies of polymer-based solar cells and the parameters that govern the evolution of the morphologies and describe different approaches to achieve the optimum morphology for a BHJ OPV. While there are some distinct differences, there are also some commonalities. It is evident that morphology and the control of the morphology are important for device performance and, by controlling the thermodynamics, in particular, the interactions of the components, and by controlling kinetic parameters, like the rate of solvent evaporation, crystallization and phase separation, optimized morphologies for a given system can be achieved. While much research has focused on P3HT, it is evident that a clearer understanding of the morphology and the evolution of the morphology in low bad gap polymer systems will increase the efficiency further. While current OPVs are on the verge of breaking the 10% barrier, manipulating and controlling the morphology will still be key for device optimization and, equally important, for the fabrication of these devices in an industrial setting. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012
Temperature and clutch effects on embryos and hatchlings of the smooth softshell turtle (Apalone mutica)

Temperature is a crucial but little-understood factor in the development of oviparous organisms. In the field, the eggs of many developing organisms are subjected to changing thermal environments; however, many previous studies have incubated eggs only at constant temperatures. To evaluate the phenotypic effects of different thermal means and variances, and to separate temperature effects from maternal effects, eggs from 10 clutches of smooth softshell turtles (Apalone mutica) were equally distributed among six temperature treatments: three each at a mean of 28.5 or 32.5°C, with ranges of± 0, 2, and 4°C. Body size, swimming performance and righting time of the resulting hatchlings were measured and evaluated. Consistent with much previous research, the cooler 28.5°C mean temperature treatments took longer to hatch and produced larger hatchlings for almost all size measurements, and clutch of origin had pervasive effects for almost all measurements. Contrary to previouslypublished accounts, however, incubation temperature had no effect on swimming performance or righting response. Clutch of origin, on the other hand, was responsible for significant variation in average swim times, and righting time was significantly affected by hatchling mass. Different levels of thermal variance exhibited consistent effects only on incubation duration and change in egg mass. Altogether, these results suggest that thermal effects are complex and deserve further investigation.
Effects of injection angle on the measurement of surface tension coefficient by drop weight method

The drop weight method for surface tension measurement is based on the weight of drops detached from a nozzle. The original idea was based on a postulate introduced by Tate (On the Magnitude of a Drop of Liquid Formed Under Different Circumstances, Philos. Mag. 27, 176–180, 1864), assuming that the weights of an ideal pendant drop and a detached ideal drop are identical, and that this weight is equal to the surface force that holds a drop attached to the nozzle. To consider the real volume of a drop that detaches from a nozzle, the method required a correction factor. Harkins and Brown suggested such correction factors for vertical injection from a nozzle. In this study, a correction factor for injection at different angles is presented and some of the hydrodynamic effects on surface tension measurement based on the drop weight method are studied. In addition, a model is introduced for the detachment time of drops in directions other than the vertical direction
Genetic Gains in Agronomic and Selected End-Use Quality Traits over a Century of Plant Breeding of Canada Western Red Spring Wheat

Canadian Western Red Spring (CWRS) market class is the predominant type of wheat (Triticum aestivum L.) grown in Canada since the turn of the 20th century. Wheat cultivars ranging from cv. Red Fife to cv. Superb were field tested in a series of 24 replicated trials spanning 19 years in central Saskatchewan, Canada. The objective of this study was to measure the rate of cultivar improvement in light of relatively narrow end-use quality definitions for the CWRS market class. Regression of cultivar trait means on year of cultivar registration was used to assess the rate of change in yield, productivity traits, and end-use quality parameters. Yield levels were estimated to be increasing at a rate of approximately 15 kg/ha per year in 1970 and 23 kg/ha per year in 1995. Days to spike emergence and plant height decreased over time. Kernel weight, grain protein concentration, SDS sedimentation volume, farinograph absorption, and dough development time increased over time, whereas farinograph mixing tolerance ind.
Antibacterial Activity of Arg/Pro-Rich Bactenecin 5 Model Peptides and Their Interaction with Phospholipid Membranes.

H-Arg-Phe-Arg-Pro-Pro-Ile-Arg-(Arg-Pro-Pro-Phe)n-NH2 (n = 2—5 and 7), models of antibacterial bactenecin 5, were synthesized. The CD measurement showed that they took polyproline II-like conformations in neutral lipid vesicles at 25 and 50 °C, and in acidic ones at 25 °C. However, their conformations changed in acidic lipid vesicles at 50 °C. The membrane perturbation activity of the peptides was also found only for acidic lipid vesicles at 50 °C. The perturbation activity increased with increasing in the peptide chain length. All peptides exhibited negligible hemolytic activity for rabbit erythocytes, whereas they, except for the shortest peptide, had moderate or strong antibacterial activity against Gram-positive and Gram-negative bacteria. Together with the previous results, the N-terminal cationic portion and a certain peptide chain length were found to be important for antibacterial activity.
HEPATO PROTECTIVE EFFECT OF AQUEOUS EXTRACT OF PIPER LONGUM AND PIPERINE WHEN ADMINISTERED WITH ANTITUBERCULAR DRUGS

The objective of the study was to assess the hepatoprotective effect of aqueous extract of Piper longum and piperine when administered with normal dosage of antitubercular drugs. The parameters assessed were lipid peroxidation and levels of reduced glutathione in liver homogenate. Histopathological studies of liver was also carried out. Reduced glutathione levels were significantly decreased (p<0.001) and lipid peroxidative products levels were significantly increased (p<0.001) in the group treated with antitubercular drugs compared to controls. Administration of aqueous extract of Piper longum or piperine with antitubercular drugs significantly increased the reduced glutathione levels (p<0.001) and decreased lipid peroxidation (p<0.001). Histopathological studies indicate no significant change between the control and the group administered with antitubercular drugs. Even in studies carried out with Piper longum extract in infected animals, administration of antitubercular drugs significantly increased lipid peroxidation (p<0.001) and decreased reduced glutathione levels (p<0.05). Administration of aqueous extract of Piper longum with antitubercular drugs significantly increased the reduced glutathione levels (p<0.001) and decreased lipid peroxidation (p<0.001). The results indicate that administration of anti TB drugs in normal doses for a period of 45 days does not cause significant histopathological changes in liver but decreases the reduced glutathione levels and increases lipid peroxidation. This change in antioxidant status is prevented on administration of Piper longum aqueous extract and piperine with antitubercular drugs, thus proving their hepatoprotective effect.
Crystalline order in probably hollow micellar fibers of N-octyl-D-gluconamide

The molecular conformation of N-(1-octyl)-D-gluconamide in its helical micellar fibers is determined. The all-anti conformation in three-dimensional crystals and the 4 G + conformation in DMSO solution served as references. Comparisons of 13 C CP/MAS solid-state NMR spectra of head-to-tail and tail-to-tail oriented crystals led to a 2 G - conformation for the gluconamide head groups and an all-anti conformation for the alkyl chains in the fibers. The latter result is confirmed by powder X-ray diffraction data and infrared spectra
Effects of distance and driving force on photoinduced electron transfer between photosynthetic reaction centers and gold electrodes

The electron-transfer (ET) parameters for oriented and aligned monolayers of the bacterial photosynthetic reaction center (RC) from Rhodobacter sphaeroides formed on the top of self-assembled monolayers (SAMs) of alkanethiols of various lengths immobilized on gold electrode are estimated using cyclic voltammetry and photoelectrochemistry. Utilization of the unique polyHis tag in the protein and the Ni−NTA chelator complex in SAMs allows for specific protein orientation with the RC primary donor facing the electrode. To improve the efficiency of ET between the RC special pair and the electrode, an RC-Cyt complex was formed (J. Am. Chem. Soc. 2006, 128, 12044−12045). The results are analyzed in terms of integrated Marcus formalism, taking into account the density of electronic states in the metal. The dependence of the ET rate on the distance between RC and electrode demonstrates an adiabatic region up to 10 A, typical for other proteins, followed by a nonadiabatic area of electron tunneling with a β-factor.