884 resultados para 030404 Cheminformatics and Quantitative Structure-Activity Relationships
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Glucoamylase from Aspergillus Niger was immobilized on montmorillonite clay (K-10) by two procedures, adsorption and covalent binding. The immobilized enzymes were characterized using XRD, surface area measurements and 27Al MAS NMR and the activity of the immobilized enzymes for starch hydrolysis was tested in a fixed bed reactor (FBR). XRD shows that enzyme intercalates into the inter-lamellar space of the clay matrix with a layer expansion up to 2.25 nm. Covalently bound glucoamylase demonstrates a sharp decrease in surface area and pore volume that suggests binding of the enzyme at the pore entrance. NMR studies reveal the involvement of octahedral and tetrahedral Al during immobilization. The performance characteristics in FBR were evaluated. Effectiveness factor (η) for FBR is greater than unity demonstrating that activity of enzyme is more than that of the free enzyme. The Michaelis constant (Km) for covalently bound glucoamylase was lower than that for free enzyme, i.e., the affinity for substrate improves upon immobilization. This shows that diffusional effects are completely eliminated in the FBR. Both immobilized systems showed almost 100% initial activity after 96 h of continuous operation. Covalent binding demonstrated better operational stability.
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At intermediate depths of the Arabian Sea, the circulation and characteristics of water are more influenced by the high saline waters from the north and low saline waters from the south of equator. The interaction of these waters which greatly differ in characteristics is less understood compared to that at the upper layers. An understanding of the nature of the intermediate waters is of vital importance not only because of the unusual characteristics of the waters but also due to the influx of the different water masses from the neighbouring Red Sea and Persian Gulf. Hence, in the present investigation, it is proposed to study the water characteristics and current structure of the intermediate waters in the Arabian Sea through the distribution of the water properties on the isanosteric surfaces of 100, 80, 60 and 4O—cl/t, vertical sections, and scatter diagrams An attempt is also made to present the potential vorticity between different steric levels to understand the circulation and mixing processes. Data collected during and subsequent to International Indian Ocean Expedition (IIOE) are used for this study. The thesis has been divided into six chapters with further sub divisions
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The electronic and magnetic structures of the LaMnO3 compound have been studied by means of periodic calculations within the framework of spin polarized hybrid density-functional theory. In order to quantify the role of approximations to electronic exchange and correlation three different hybrid functionals have been used which mix nonlocal Fock and local Dirac-Slater exchange. Periodic Hartree-Fock results are also reported for comparative purposes. The A-antiferromagnetic ground state is properly predicted by all methods including Hartree-Fock exchange. In general, the different hybrid methods provide a rather accurate description of the band gap and of the two magnetic coupling constants, strongly suggesting that the corresponding description of the electronic structure is also accurate. An important conclusion emerging from this study is that the nature of the occupied states near the Fermi level is intermediate between the Hartree-Fock and local density approximation descriptions with a comparable participation of both Mn and O states.
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Present study consists the species diversity, abundance and community structure of ichthyofauna in the seagrass meadow of Minicoy Atoll, Lakshadweep Islands. Two hundred and three species of fishes were recorded during the study, from four stations in the Atoll. They belonged to 2 classes, 11orders, 43 families and 93 genera. Six species belonged to the class Chondreichthyes and 197 species to Osteichthyes. Family Pomacentridae showed maximum abundance of species (22%). Station I, having close proximity to the coral reefs, observed the maximum number of families (37) and species (129) and that with minimum number was in station II (23 families and 52 species). Bray-Curtis similarity plot showed a similarity range of 22 to 52%, seasonally. Station I showed highest Shannon-Wiener diversity index (H’log2) (4.22) during August and the lowest (2.91) during June. Stations I and III showed comparatively higher abundance and diversity of fishes. Variability in seagrass habitat structure and the interaction with coral reefs influenced the species composition and diversity of fishes in Minicoy Atoll. The findings of the present investigation can be used as baseline information for the fishery resource management of the region
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An interesting series of nine new copper(II) complexes [Cu2L2(OAc)2] H2O (1), [CuLNCS] ½H2O (2), [CuLNO3] ½H2O (3), [Cu(HL)Cl2] H2O (4), [Cu2(HL)2(SO4)2] 4H2O (5), [CuLClO4] ½H2O (6), [CuLBr] 2H2O (7), [CuL2] H2O (8) and [CuLN3] CH3OH (9) of 2-benzoylpyridine-N(4)-phenyl semicarbazone (HL) have been synthesized and physico-chemically characterized. The tridentate character of the semicarbazone is inferred from IR spectra. Based on the EPR studies, spin Hamiltonian and bonding parameters have been calculated. The g values, calculated for all the complexes in frozen DMF, indicate the presence of the unpaired electron in the dx2 y2 orbital. The structure of the compound, [Cu2L2(OAc)2] (1a) has been resolved using single crystal X-ray diffraction studies. The crystal structure revealed monoclinic space group P21/n. The coordination geometry about the copper(II) in 1a is distorted square pyramidal with one pyridine nitrogen atom, the imino nitrogen, enolate oxygen and acetate oxygen in the basal plane, an acetate oxygen form adjacent moiety occupies the apical position, serving as a bridge to form a centrosymmetric dimeric structure
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We investigate for very general cases the multiplet and fine structure splitting of muonelectron atoms arising from the coupling of the electron and muon angular momenta, including the effect of the Breit operator plus the electron state-dependent screening. Although many conditions have to be fulfilled simultaneously to observe these effeets, it should be possible to measure them in the 6h- 5g muonic transition in the Sn region.
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We present a statistical image-based shape + structure model for Bayesian visual hull reconstruction and 3D structure inference. The 3D shape of a class of objects is represented by sets of contours from silhouette views simultaneously observed from multiple calibrated cameras. Bayesian reconstructions of new shapes are then estimated using a prior density constructed with a mixture model and probabilistic principal components analysis. We show how the use of a class-specific prior in a visual hull reconstruction can reduce the effect of segmentation errors from the silhouette extraction process. The proposed method is applied to a data set of pedestrian images, and improvements in the approximate 3D models under various noise conditions are shown. We further augment the shape model to incorporate structural features of interest; unknown structural parameters for a novel set of contours are then inferred via the Bayesian reconstruction process. Model matching and parameter inference are done entirely in the image domain and require no explicit 3D construction. Our shape model enables accurate estimation of structure despite segmentation errors or missing views in the input silhouettes, and works even with only a single input view. Using a data set of thousands of pedestrian images generated from a synthetic model, we can accurately infer the 3D locations of 19 joints on the body based on observed silhouette contours from real images.
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Resumen en inglés
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This paper shows how instructors can use the problem‐based learning method to introduce producer theory and market structure in intermediate microeconomics courses. The paper proposes a framework where different decision problems are presented to students, who are asked to imagine that they are the managers of a firm who need to solve a problem in a particular business setting. In this setting, the instructors’ role is to provide both guidance to facilitate student learning and content knowledge on a just‐in‐time basis
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Conservation efforts over the last 20 years for the Gunnison Sage-Grouse (Centrocercus minimus) have involved extensive habitat manipulations done predominantly to improve brood rearing habitat for the grouse. However, the effects of Gunnison Sage-Grouse habitat treatments on sympatric avifauna and responses of vegetation to manipulations are rarely measured, and if they are, it is immediately following treatment implementation. This study examined the concept of umbrella species management by retrospectively comparing density and occupancy of eight sagebrush associated songbird species and six measures of vegetation in treated and control sites. Our results suggested that songbird densities and occupancy changed for birds at the extreme ends of their association with sagebrush and varied with fine-scale habitat structure. We found Brewer’s Sparrows (Spizella breweri) decreased in density on treated sites and Vesper Sparrows (Pooecetes gramineus) increased. Occupancy estimation revealed that Brewer’s Sparrows and Green-tailed Towhees (Pipilo chlorurus) occupied significantly fewer treated points whereas Vesper Sparrows occupied significantly more. Vegetation comparisons between treated and control areas found shrub cover to be 26% lower in treated sites. Lower shrub cover in treated areas may explain the differences in occupancy and densities of the species sampled based on known habitat needs. The fine-scale analysis showed a negative relationship to forb height and cover for the Sage Sparrow (Amphispiza belli) indicating, from vegetation measures showing grass and forb cover during a good precipitation year covered significantly more area in the treatment than the control sites, that Sage Sparrows may also not respond favorably to Gunnison Sage-Grouse habitat treatments. While the concept of an umbrella species is appealing, evidence from this study suggests that conservation efforts aimed at the Gunnison Sage-Grouse may not be particularly effective for conserving other sagebrush obligate species of concern. This is probably due to Gunnison Sage-Grouse habitat management being focused on the improvement of brood rearing habitat which reduces sagebrush cover and promotes development of understory forbs and grasses.
A new look at stratospheric sudden warmings. Part III. Polar vortex evolution and vertical structure
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The evolution of the Arctic polar vortex during observed major mid-winter stratospheric sudden warmings (SSWs) is investigated for the period 1957-2002, using European Centre for Medium-Range Weather Forecasts (ECMWF) ERA-40 Ertel’s potential vorticity (PV) and temperature fields. Time-lag composites of vertically weighted PV, calculated relative to the SSW onset time, are derived for both vortex displacement SSWs and vortex splitting SSWs, by averaging over the 15 recorded displacement and 13 splitting events. The evolving vertical structure of the polar vortex during a typical SSW of each type is clearly illustrated by plotting an isosurface of the composite PV field, and is shown to be very close to that observed during representative individual events. Results are verified by comparison with an elliptical diagnostic vortex moment technique. For both types of SSW, little variation is found between individual events in the orientation of the developing vortex relative to the underlying topography, i.e. the location of the vortex during SSWs of each type is largely fixed in relation to the Earth’s surface. During each type of SSW, the vortex is found to have a distinctive vertical structure. Vortex splitting events are typically barotropic, with the vortex split occurring near-simultaneously over a large altitude range (20-40 km). In the majority of cases, of the two daughter vortices formed, it is the ‘Siberian’ vortex that dominates over its ‘Canadian’ counterpart. In contrast, displacement events are characterized by a very clear baroclinic structure; the vortex tilts significantly westward with height, so that the top and bottom of the vortex are separated by nearly 180◦ longitude before the upper vortex is sheared away and destroyed.