941 resultados para Algorithms, Properties, the KCube Graphs


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Tese de mestrado em Física, apresentada à Universidade de Lisboa, através da Faculdade de Ciências, 2016

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Mineralogical analysis of manganese nodules and crusts collected from Indian ocean aboard Marion Dufresne points to a depth and regional control upon the manganese oxide association: vernadite - birnessite and vernadite - todorokite. Moreover, progressive changes in the vernadite/birnessite ratio as a function of time is clearly seen. Magnetite and titano-magnetite in quantities similar to those of framboidal pyrite in manganese nodules are outlined for the first time. Study of the distribution of metals (Mn, Fe, Ni, Cu, Co) shows a strong latitudinal and regional dependence that may be connected to high productivity zones and to bottom water properties. The problem of mineralogical control on the chemical composition is approached. Finally, it results that any interpretations taking into account all these data haveway to give to the variability of sea-water properties (pH, oxygenation, motions) the prominent control upon manganese nodules composition.

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During four expeditions with RV "Polarstern" at the continental margin of the southern Weddell Sea, profiling and geological sampling were carried out. A detailed bathymetric map was constructed from echo-sounding data. Sub-bottom profiles, classified into nine echotypes, have been mapped and interpreted. Sedimentological analyses were carried out on 32 undisturbed box grab surface samples, as well as on sediment cores from 9 sites. Apart from the description of the sediments and the investigation of sedimentary structures on X-radiographs the following characteristics were determined: grain-size distributions; carbonate and Corg content; component distibutions in different grain-size fractions; stable oxygen and carbon isotopes in planktic and, partly, in benthic foraminifers; and physical properties. The stratigraphy is based On 14C-dating, oxygen isotope Stages and, at one site, On paleomagnetic measurements and 230Th-analyses The sediments represent the period of deposition from the last glacial maximum until recent time. They are composed predominantly of terrigenous components. The formation of the sediments was controlled by glaciological, hydrographical and gravitational processes. Variations in the sea-ice coverage influenced biogenic production. The ice sheet and icebergs were important media for sediment transport; their grounding caused compaction and erosion of glacial marine sediments on the outer continental shelf. The circulation and the physical and chemical properties of the water masses controlled the transport of fine-grained material, biogenic production and its preservation. Gravitational transport processes were the inain mode of sediment movements on the continental slope. The continental ice sheet advanced to the shelf edge and grounded On the sea-floor, presumably later than 31,000 y.B.P. This ice movement was linked with erosion of shelf sediments and a very high sediment supply to the upper continental slope from the adiacent southern shelf. The erosional surface On the shelf is documented in the sub-bottom profiles as a regular, acoustically hard reflector. Dense sea-ice coverage above the lower and middle continental slope resulted in the almost total breakdown of biogenic production. Immediately in front of the ice sheet, above the upper continental slope, a <50 km broad coastal polynya existed at least periodically. Biogenic production was much higher in this polynya than elsewhere. Intense sea-ice formation in the polynya probably led to the development of a high salinity and, consequently, dense water mass, which flowed as a stream near bottom across the continental slope into the deep sea, possibly contributing to bottom water formation. The current velocities of this water mass presumably had seasonal variations. The near-bottom flow of the dense water mass, in combination with the gravity transport processes that arose from the high rates of sediment accumulation, probably led to erosion that progressed laterally from east to West along a SW to NE-trending, 200 to 400 m high morphological step at the continental slope. During the period 14,000 to 13,000 y.B.P., during the postglacial temperature and sea-level rise, intense changes in the environmental conditions occured. Primarily, the ice masses on the outer continental shelf started to float. Intense calving processes resulted in a rapid retreat of the ice edge to the south. A consequence of this retreat was, that the source area of the ice-rafted debris changed from the adjacent southern shelf to the eastern Weddell Sea. As the ice retreated, the gravitational transport processes On the continental slope ceased. Soon after the beginning of the ice retreat, the sea-ice coverage in the whole research area decreased. Simultaneously, the formation of the high salinity dense bottom water ceased, and the sediment composition at the continental slope then became influenced by the water masses of the Weddell Gyre. The formation of very cold Ice Shelf Water (ISW) started beneath the southward retreating Filchner-Ronne Ice Shelf somewhat later than 12,000 y.B.P. The ISW streamed primarily with lower velocities than those of today across the continental slope, and was conducted along the erosional step on the slope into the deep sea. At 7,500 y.B.P., the grounding line of the ice masses had retreated > 400 km to the south. A progressive retreat by additional 200 to 300 km probably led to the development of an Open water column beneath the ice south of Berkner Island at about 4,000 y.B.P. This in turn may have led to an additional ISW, which had formed beneath the Ronne Ice Shelf, to flow towards the Filcher Ice Shelf. As a result, increased flow of ISW took place over the continental margin, possibly enabling the ISW to spill over the erosional step On the upper continental slope towards the West. Since that time, there is no longer any documentation of the ISW in the sedimentary Parameters on the lower continental slope. There, recent sediments reflect the lower water masses of the Weddell Gyre. The sea-ice coverage in early Holocene time was again so dense that biogenic production was significantly restricted.

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One of the objectives of drilling at Site 1179 was to search for microbes or biochemical evidence of microbial activity as part of the ongoing exploration of the depth and extent of the deep biosphere. The existence of living microbes has not been confirmed, but the chemistry of pore waters from the site, such as sulfate and ammonium profiles, is consistent with sulfate reduction and nitrification by anaerobic bacteria. However, chemical profiles are affected by the movement of molecules and ions through porous sediments by diffusion and advection. Permeability is thus an important consideration in the interpretation of pore water chemistry profiles. Moreover, diatomaceous sediments have some unique and, as yet, poorly understood physical properties. The purpose of this research is to measure hydraulic conductivity (permeability) in a suite of sediment samples from Ocean Drilling Program Site 1179 by the transient-pulse method. The sample set consists of four diatom ooze samples from Unit I, one radiolarian ooze sample from Unit II, and one pelagic clay sample from Unit III. The permeability of the clay is 1.92 µd, whereas the permeabilities of the overlying radiolarian and diatom oozes range from 289 to 1604 µd. Among these samples, permeability increases with porosity and grain size, in keeping with the results of previous studies.

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Hydrogenetic ferromanganese crusts were dredged from four seamounts in the western Pacific, OSM7, OSM2, Lomilik, and Lemkein, aligned in a NW-SE direction parallel to Pacific Plate movement. The crusts consist of four well-defined layers with distinct textural and geochemical properties. The topmost layer 1 is relatively enriched in Mn, Co, Ni, and Mo compared to the underlying layer 2, which is relatively enriched in Al, Ti, K, and Rb and Cu, Zn, and excess Ba. Textural and geochemical properties of layer 2 suggest growth conditions under high biogenic and detrital flux. Such conditions are met in the equatorial Pacific (i.e., between the Intertropical Convergence Zone (ITCZ) and equatorial high-productivity zone). Layer 2 likely formed when each seamount was beneath the equatorial Pacific along its back track path. On the other hand, layer 1 probably started to grow after seamounts moved northwest from the ITCZ. This interpretation is consistent with the thickness of layer 1 across the four crusts, which increases to the northwest. Ages of the layer 1-layer 2 boundary in each crust, a potential proxy for northern margin of the ITCZ, also increase to the northwest at 17, 11, 8, and 5 Ma for OSM7, OSM2, Lomilik, and Lemkein, respectively. Assuming Pacific Plate motion of 0.3°/Myr, the seamounts were located at 12°N, 11°N, 9°N, and 8°N at the time of boundary formation. This result suggests that the north edge of the ITCZ has shifted south since the middle Miocene in the western Pacific, which agrees with information from the eastern Pacific.

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"Supported in part by the Dept. of Computer Science, University of Illinois ... and in part by the Advanced Research Projects Agency ... under Contract no. U.S. AF 30(602)4144."

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Thesis (Ph.D.)--University of Washington, 2016-06

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In this article, we investigate the parameters used in the MOCVD growth of GaAsN epilayers on GaAs substrates and some of their microstructures and optical properties. The N incorporation was found to mainly depend on the growth temperature and the fractional 1,1-dimethylhydrazine molar flow. A thin highly strained interface layer was observed between GaAsN and GaAs, which, contrary to previously published results, was not N enriched. The low-temperature (10 K) photoluminescence spectra were composed of several emissions that we attribute to a combination of interband transition and transitions involving localized defect states. (C) 2004 Elsevier B.V. All rights reserved.

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We present an efficient and robust method for the calculation of all S matrix elements (elastic, inelastic, and reactive) over an arbitrary energy range from a single real-symmetric Lanczos recursion. Our new method transforms the fundamental equations associated with Light's artificial boundary inhomogeneity approach [J. Chem. Phys. 102, 3262 (1995)] from the primary representation (original grid or basis representation of the Hamiltonian or its function) into a single tridiagonal Lanczos representation, thereby affording an iterative version of the original algorithm with greatly superior scaling properties. The method has important advantages over existing iterative quantum dynamical scattering methods: (a) the numerically intensive matrix propagation proceeds with real symmetric algebra, which is inherently more stable than its complex symmetric counterpart; (b) no complex absorbing potential or real damping operator is required, saving much of the exterior grid space which is commonly needed to support these operators and also removing the associated parameter dependence. Test calculations are presented for the collinear H+H-2 reaction, revealing excellent performance characteristics. (C) 2004 American Institute of Physics.

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Stickiness is a common problem encountered in food handling and processing, and also during consumption. Stickiness is observed as adhesion of the food to processing equipment surfaces or cohesion within the food particulate or mass. An important operation where this undesirable behavior of food is manifested is drying. This occurs particularly during drying of high-sugar and high-fat foods. To date, the stickiness of foods during drying or dried powder has been investigated in relation to their viscous and glass transition properties. The importance of contact surface energy of the equipment has been ignored in many analyses, despite the fact that some drying operations have reported using low-energy contact surfaces in drying equipment to avoid the problems caused by stickiness. This review discusses the fundamentals of adhesion and cohesion mechanisms and relates these phenomena to drying and dried products.

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Extension of the conjugated pi-system of many all-protein chromophores with an acylimine bond is the basis for their red-shifted optical properties. The presence of this post-translational modification is evident in crystal structures of these proteins. Harsh denaturation of proteins containing an acylimine bond results in partial polypeptide cleavage. For the red fluorescent protein DsRed, the extent of cleavage is quantitative. However, this is not the case for the blue non-fluorescent chromoprotein Rtms5, even though all chromophores in tetrameric Rtms5 contain an acylimine bond. We have identified two positions around the chromophore of Rtms5 where substitutions can promote or suppress the extent of cleavage on harsh denaturation. We propose a model in which cleavage of Rtms5 is facilitated by a trans to cis isomerisation of the chromophore. (c) 2006 Elsevier Inc. All rights reserved.

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The sulfite dehydrogenase from Starkeya novella is the only known sulfite-oxidizing enzyme that forms a permanent heterodimeric complex between a molybdenum and a heme c-containing subunit and can be crystallized in an electron transfer competent conformation. Tyr236 is a highly conserved active site residue in sulfite oxidoreductases and has been shown to interact with a nearby arginine and a molybdenum-oxo ligand that is involved in catalysis. We have created a Tyr236 to Phe substitution in the SorAB sulfite dehydrogenase. The purified SDHY236F protein has been characterized in terms of activity, structure, intramolecular electron transfer, and EPR properties. The substituted protein exhibited reduced turnover rates and substrate affinity as well as an altered reactivity toward molecular oxygen as an electron acceptor. Following reduction by sulfite and unlike SDHWT, the substituted enzyme was reoxidized quickly in the presence of molecular oxygen, a process reminiscent of the reactions of the sulfite oxidases. SDHY236F also exhibited the pH-dependent CW-EPR signals that are typically observed in vertebrate sulfite oxidases, allowing a direct link of CW-EPR properties to changes caused by a single-amino acid substitution. No quantifiable electron transfer was seen in laser flash photolysis experiments with SDHY236F. The crystal structure of SDHY236F clearly shows that as a result of the substitution the hydrogen bonding network surrounding the active site is disturbed, resulting in an increased mobility of the nearby arginine. These disruptions underline the importance of Tyr236 for the integrity of the substrate binding site and the optimal alignment of Arg55, which appears to be necessary for efficient electron transfer.

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In this study, we investigate the fabrication of 3D porous poly(lactic-co-glycolic acid) (PLGA) scaffolds using the thermally-induced phase separation technique. The current study focuses on the selection of alternative solvents for this process using a number of criteria, including predicted solubility. toxicity, removability and processability. Solvents were removed via either vacuum freeze-drying or leaching, depending on their physical properties. The residual solvent was tested using gas chromatography-mass spectrometry. A large range of porous, highly interconnected scaffold architectures with tunable pore size and alignment was obtained, including combined macro- and microporous structures and an entirely novel 'porous-fibre' structure. The morphological features of the most promising poly(lactic-co-glycolic acid) scaffolds were analysed via scanning electron microscopy and X-ray micro-computed tomography in both two and three dimensions. The Young's moduli of the scaffolds under conditions of temperature, pH and ionic strength similar to those found in the body were tested and were found to be highly dependent on the architectures.

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The XSophe computer simulation software suite consisting of a daemon, the XSophe interface and the computational program Sophe is a state of the art package for the simulation of electron paramagnetic resonance spectra. The Sophe program performs the computer simulation and includes a number of new technologies including; the SOPHE partition and interpolation schemes, a field segmentation algorithm, homotopy, parallelisation and spectral optimisation. The SOPHE partition and interpolation scheme along with a field segmentation algorithm greatly increases the speed of simulations for most systems. Multidimensional homotopy provides an efficient method for accurately tracing energy levels and hence tracing transitions in the presence of energy level anticrossings and looping transitions and allowing computer simulations in frequency space. Recent enhancements to Sophe include the generalised treatment of distributions of orientational parameters, termed the mosaic misorientation linewidth model and a faster more efficient algorithm for the calculation of resonant field positions and transition probabilities. For complex systems the parallelisation enables the simulation of these systems on a parallel computer and the optimisation algorithms in the suite provide the experimentalist with the possibility of finding the spin Hamiltonian parameters in a systematic manner rather than a trial-and-error process. The XSophe software suite has been used to simulate multifrequency EPR spectra (200 MHz to 6 00 GHz) from isolated spin systems (S > ~½) and coupled centres (Si, Sj _> I/2). Griffin, M.; Muys, A.; Noble, C.; Wang, D.; Eldershaw, C.; Gates, K.E.; Burrage, K.; Hanson, G.R."XSophe, a Computer Simulation Software Suite for the Analysis of Electron Paramagnetic Resonance Spectra", 1999, Mol. Phys. Rep., 26, 60-84.

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The paper focuses on inter-personal aspects of the context in the analysis of evidential and related epistemic marking systems. While evidentiality is defined by its capacity to qualify the speaker's indexical point of view in terms of information source, it is argued that other aspects of the context are important to analyze evidentiality both conceptually and grammatically. These distinct, analytical components concern the illocutionary status of a given marker and its scope properties. The importance of the hearer's point of view in pragmatics and semantics is well attested and constitutes a convincing argument for an increased emphasis on the perspective of the hearer/addressee in analyses of epistemic marking, such as evidentiality. The paper discusses available accounts of evidentials that attend to the perspective of the addressee and also introduces lesser-known epistemic marking systems that share a functional space with evidentiality.