Chemical Shifts to Metabolic Pathways: Identifying Metabolic Pathways Directly from a Single 2D NMR Spectrum

Identifying cellular processes in terms of metabolic pathways is one of the avowed goals of metabolomics studies. Currently, this is done after relevant metabolites are identified to allow their mapping onto specific pathways. This task is daunting due to the complex nature of cellular processes and the difficulty in establishing the identity of individual metabolites. We propose here a new method: ChemSMP (Chemical Shifts to Metabolic Pathways), which facilitates rapid analysis by identifying the active metabolic pathways directly from chemical shifts obtained from a single two-dimensional (2D) C-13-H-1] correlation NMR spectrum without the need for identification and assignment of individual metabolites. ChemSMP uses a novel indexing and scoring system comprised of a ``uniqueness score'' and a ``coverage score''. Our method is demonstrated on metabolic pathways data from the Small Molecule Pathway Database (SMPDB) and chemical shifts from the Human Metabolome Database (HMDB). Benchmarks show that ChemSMP has a positive prediction rate of >90% in the presence of deduttered data and can sustain the same at 60-70% even in the presence of noise, such as deletions of peaks and chemical shift deviations. The method tested on NMR data acquired for a mixture of 20 amino acids shows a success rate of 93% in correct recovery of pathways. When used on data obtained from the cell lysate of an unexplored oncogenic cell line, it revealed active metabolic pathways responsible for regulating energy homeostasis of cancer cells. Our unique tool is thus expected to significantly enhance analysis of NMIR-based metabolomics data by reducing existing impediments.

PLUTO plus : Near-Complete Modeling of Affine Transformations for Parallelism and Locality

Affine transformations have proven to be very powerful for loop restructuring due to their ability to model a very wide range of transformations. A single multi-dimensional affine function can represent a long and complex sequence of simpler transformations. Existing affine transformation frameworks like the Pluto algorithm, that include a cost function for modern multicore architectures where coarse-grained parallelism and locality are crucial, consider only a sub-space of transformations to avoid a combinatorial explosion in finding the transformations. The ensuing practical tradeoffs lead to the exclusion of certain useful transformations, in particular, transformation compositions involving loop reversals and loop skewing by negative factors. In this paper, we propose an approach to address this limitation by modeling a much larger space of affine transformations in conjunction with the Pluto algorithm's cost function. We perform an experimental evaluation of both, the effect on compilation time, and performance of generated codes. The evaluation shows that our new framework, Pluto+, provides no degradation in performance in any of the Polybench benchmarks. For Lattice Boltzmann Method (LBM) codes with periodic boundary conditions, it provides a mean speedup of 1.33x over Pluto. We also show that Pluto+ does not increase compile times significantly. Experimental results on Polybench show that Pluto+ increases overall polyhedral source-to-source optimization time only by 15%. In cases where it improves execution time significantly, it increased polyhedral optimization time only by 2.04x.

SMO: An Integrated Approach to Intra-array and Inter-array Storage Optimization

The polyhedral model provides an expressive intermediate representation that is convenient for the analysis and subsequent transformation of affine loop nests. Several heuristics exist for achieving complex program transformations in this model. However, there is also considerable scope to utilize this model to tackle the problem of automatic memory footprint optimization. In this paper, we present a new automatic storage optimization technique which can be used to achieve both intra-array as well as inter-array storage reuse with a pre-determined schedule for the computation. Our approach works by finding statement-wise storage partitioning hyper planes that partition a unified global array space so that values with overlapping live ranges are not mapped to the same partition. Our heuristic is driven by a fourfold objective function which not only minimizes the dimensionality and storage requirements of arrays required for each high-level statement, but also maximizes inter statement storage reuse. The storage mappings obtained using our heuristic can be asymptotically better than those obtained by any existing technique. We implement our technique and demonstrate its practical impact by evaluating its effectiveness on several benchmarks chosen from the domains of image processing, stencil computations, and high-performance computing.

Methods for enhanced electrical transduction and characterization of micromechanical resonators

This paper details the design and enhanced electrical transduction of a bulk acoustic mode resonator fabricated in a commercial foundry MEMS process utilizing 2.5 μm gaps. The I-V characteristics of electrically addressed silicon resonators are often dominated by capacitive parasitics, inherent to hybrid technologies. This paper benchmarks a variety of drive and detection principles for electrostatically driven square-extensional mode resonators operating in air via analytical models accompanied by measurements of fabricated devices with the primary aim of enhancing the ratio of the motional to feedthrough current at nominal operating voltages. In view of ultimately enhancing the motional to feedthrough current ratio, a new detection technique that combines second harmonic capacitive actuation and piezoresistive detection is presented herein. This new method is shown to outperform previously reported methods utilizing voltages as low as ±3 V in air, providing a promising solution for low voltage CMOS-MEMS integration. To elucidate the basis of this improvement in signal output from measured devices, an approximate analytical model for piezoresistive sensing specific to the resonator topology reported here is also developed and presented. © 2010 Elsevier B.V. All rights reserved.

Enhanced transduction methods for electrostatically driven MEMS resonators

Electrically addressed silicon bulk acoustic wave microresonators offer high Q solutions for applications in sensing and signal processing. However, the electrically transduced motional signal is often swamped by parasitic feedthrough in hybrid technologies. With the aim of enhancing the ratio of the motional to feedthrough current at nominal operating voltages, this paper benchmarks a variety of drive and detection principles for electrostatically driven square-extensional mode resonators operating in air and in a foundry MEMS process utilizing 2μm gaps. A new detection technique, combining second harmonic capacitive actuation and piezoresistive detection, outperforms previously reported methods utilizing voltages as low as ± 3V in air providing a promising solution for low voltage CMOS-MEMS integration. ©2009 IEEE.

Evaluation of the conventional surveying equipment applied to deformation analysis of heritage buildings. A case study: the bell tower of Santa María la Blanca church in Agoncillo (La Rioja, Spain)

Contributed to: "Measuring the Changes": 13th FIG International Symposium on Deformation Measurements and Analysis; 4th IAG Symposium on Geodesy for Geotechnical and Structural Enginering (Lisbon, Portugal, May 12-15, 2008).

[C_Cordoba_Teatro] Documentación geométrica de los restos del Teatro Romano de Córdoba

[ES] El proyecto documenta los restos de una parte del antiguo teatro romano de Córdoba que se encuentran bajo la ampliación del museo arqueológico (MAECO) y ocupan una superficie de unos 50 x 20 metros, en el momento de la documentación era un área sobre la que se estaba construyendo el nuevo edificio. Se incluyen también otros posibles restos visibles desde el sótano de una residencia anexa.

Assessment of cobia, Rachycentron canadum, in the waters of the U.S. Gulf of Mexico

This assessment applies to cobia (Rachycentron canadum) located in the territorial waters of the U.S. Gulf of Mexico. Separation of the Gulf of Mexico and Atlantic Ocean is defined by the seaward extension of the Dade/Monroe county line in south Florida. Mixing of fish between the Atlantic and Gulf of Mexico occurs in the Florida Keys during winter months. Cobia annually migrate north in early spring in the Gulf to spawning grounds in the northern Gulf of Mexico, returning to the Florida Keys by winter. Catches of cobia in the Gulf of Mexico are dominated by recreational landings, accounting for nearly 90% of the total. Since 1980, the landings of cobia in the recreational fishery have remained fairly stable at around 400-600 mt with a slight peak of 1,014 mt in 1997. The recreational fishery was estimated to have landed 471 mt in 2000. The landings from the commercial fishery have shown a steady increase from 45 mt in 1980 to a peak of 120 mt in 1994, followed by a decline to 62 mt in 2000. The previous assessment of cobia occurred in 1996 using a virtual population analysis (VPA) model. For this analysis a surplus-production model (ASPIC) and a forward-projecting, age-structured population model programmed in the AD Model Builder (ADMB) software were applied to cobia data from the Gulf of Mexico. The primary data consisted of four catch-per-unit-effort (CPUE) indices derived from the Marine Recreational Fisheries Statistics Survey (MRFSS) (1981-1999), Southeast region headboat survey (1986-1999), Texas creel survey (1983-1999), and shrimp bycatch estimates (1980-1999). Length samples were available from the commercial (1983-2000) and recreational (1981-2000) fisheries. The ASPIC model applied to the cobia data provided unsatisfactory results. The ADMB model fit described the observed length composition data and fishery landings fairly well based on graphical examination of model residuals. The CPUE indices indicated some disagreement for various years, but the model fit an overall increasing trend from 1992-1997 for the MRFSS, headboat, and Texas creel indices. The shrimp bycatch CPUE was treated as a recruitment index in the model. The fit to these data followed an upward trend in recruitment from 1988-1997, but did not fit the 1994-1997 data points very well. This was likely the result of conflicting information from other data sources. Natural mortality (M) for cobia is unknown. As a result, a range of values for M from 0.2-0.4, based on longevity and growth parameters, were selected for use in the age-structured model. The choice of natural mortality appears to greatly influence the perceived status of the population. Population status as measured by spawning stock biomass in the last year relative to the value at maximum sustainable yield (SSB2000/SSBMSY), spawning stock biomass in the last year relative to virgin spawning stock biomass (SSB2000/S0), and static spawning stock biomass per recruit (SSBR) all indicate the population is either depleted, near MSY, or well above MSY depending on the choice of M. The variance estimates for these benchmarks are very large and in most cases ranges from depleted to very healthy status. The only statement that can be made with any degree of certainty about cobia in the Gulf of Mexico is that the population has increased since the 1980s. (PDF contains 61 pages)

A review of the ecological effectiveness of subtidal marine reserves in Central California, Part I: Synopsis of scientific investigations

Marine reserves, often referred to as no-take MPAs, are defined as areas within which human activities that can result in the removal or alteration of biotic and abiotic components of an ecosystem are prohibited or greatly restricted (NRC 2001). Activities typically curtailed within a marine reserve are extraction of organisms (e.g., commercial and recreational fishing, kelp harvesting, commercial collecting), mariculture, and those activities that can alter oceanographic or geologic attributes of the habitat (e.g., mining, shore-based industrial-related intake and discharges of seawater and effluent). Usually, marine reserves are established to conserve biodiversity or enhance nearby fishery resources. Thus, goals and objectives of marine reserves can be inferred, even if they are not specifically articulated at the time of reserve formation. In this report, we review information about the effectiveness of the three marine reserves in the Monterey Bay National Marine Sanctuary (Hopkins Marine Life Refuge, Point Lobos Ecological Reserve, Big Creek Ecological Reserve), and the one in the Channel Islands National Marine Sanctuary (the natural area on the north side of East Anacapa Island). Our efforts to objectively evaluate reserves in Central California relative to reserve theory were greatly hampered for four primary reasons; (1) few of the existing marine reserves were created with clearly articulated goals or objectives, (2) relatively few studies of the ecological consequences of existing reserves have been conducted, (3) no studies to date encompass the spatial and temporal scope needed to identify ecosystem-wide effects of reserve protection, and (4) there are almost no studies that describe the social and economic consequences of existing reserves. To overcome these obstacles, we used several methods to evaluate the effectiveness of subtidal marine reserves in Central California. We first conducted a literature review to find out what research has been conducted in all marine reserves in Central California (Appendix 1). We then reviewed the scientific literature that relates to marine reserve theory to help define criteria to use as benchmarks for evaluation. A recent National Research Council (2001) report summarized expected reserve benefits and provided the criteria we used for evaluation of effectiveness. The next step was to identify the research projects in this region that collected information in a way that enabled us to evaluate reserve theory relative to marine reserves in Central California. Chapters 1-4 in this report provide summaries of those research projects. Contained within these chapters are evaluations of reserve effectiveness for meeting specific objectives. As few studies exist that pertain to reserve theory in Central California, we reviewed studies of marine reserves in other temperate and tropical ecosystems to determine if there were lessons to be learned from other parts of the world (Chapter 5). We also included a discussion of social and economic considerations germane to the public policy decision-making processes associated with marine reserves (Chapter 6). After reviewing all of these resources, we provided a summary of the ecological benefits that could be expected from existing reserves in Central California. The summary is presented in Part II of this report. (PDF contains 133 pages.)

Euler Solution Using Adaptive Cartesian Grid With A Gridless Boundary Treatment

A quadtree-based adaptive Cartesian grid generator and flow solver were developed. The grid adaptation based on pressure or density gradient was performed and a gridless method based on the least-square fashion was used to treat the wall surface boundary condition, which is generally difficult to be handled for the common Cartesian grid. First, to validate the technique of grid adaptation, the benchmarks over a forward-facing step and double Mach reflection were computed. Second, the flows over the NACA 0012 airfoil and a two-element airfoil were calculated to validate the developed gridless method. The computational results indicate the developed method is reasonable for complex flows.

On demand translation for querying incompletely aligned datasets

More and more users aim at taking advantage of the existing Linked Open Data environment to formulate a query over a dataset and to then try to process the same query over different datasets, one after another, in order to obtain a broader set of answers. However, the heterogeneity of vocabularies used in the datasets on the one side, and the fact that the number of alignments among those datasets is scarce on the other, makes that querying task difficult for them. Considering this scenario we present in this paper a proposal that allows on demand translations of queries formulated over an original dataset, into queries expressed using the vocabulary of a targeted dataset. Our approach relieves users from knowing the vocabulary used in the targeted datasets and even more it considers situations where alignments do not exist or they are not suitable for the formulated query. Therefore, in order to favour the possibility of getting answers, sometimes there is no guarantee of obtaining a semantically equivalent translation. The core component of our proposal is a query rewriting model that considers a set of transformation rules devised from a pragmatic point of view. The feasibility of our scheme has been validated with queries defined in well known benchmarks and SPARQL endpoint logs, as the obtained results confirm.

Otimização multimodal através de novas técnicas baseadas em clusterização nebulosa

Neste trabalho, é proposta uma nova família de métodos a ser aplicada à otimização de problemas multimodais. Nestas técnicas, primeiramente são geradas soluções iniciais com o intuito de explorar o espaço de busca. Em seguida, com a finalidade de encontrar mais de um ótimo, estas soluções são agrupadas em subespaços utilizando um algoritmo de clusterização nebulosa. Finalmente, são feitas buscas locais através de métodos determinísticos de otimização dentro de cada subespaço gerado na fase anterior com a finalidade de encontrar-se o ótimo local. A família de métodos é formada por seis variantes, combinando três esquemas de inicialização das soluções na primeira fase e dois algoritmos de busca local na terceira. A fim de que esta nova família de métodos possa ser avaliada, seus constituintes são comparados com outras metodologias utilizando problemas da literatura e os resultados alcançados são promissores.

Grandes túneis urbanos: uma proposta de gestão ambiental.

Este estudo objetiva a sistematização do conhecimento, através de uma abordagem multidisciplinar, de forma a conformar uma proposta inicial de protocolo de gestão ocupacional e ambiental em grandes túneis urbanos em âmbito nacional. Há na presente pesquisa uma atenção particular aos túneis urbanos dedicados ao tráfego de veículos automotores, devido às suas características físico-espaciais que os tornam especialmente perigosos e tóxicos aos seus usuários e aos funcionários envolvidos. A relativa carência de material bibliográfico de caráter sistêmico e específico no Brasil enseja à busca por referências em documentos desenvolvidos em outros países. Ainda que em nível preliminar, a compilação crítica de dados, normas e referências pesquisadas, à luz do contexto e dos instrumentos normativos brasileiros referentes ao tema, traduz-se no aspecto original desta proposta dissertativa, a ser possivelmente utilizada como ponto de partida para estudos mais extensos. São abordadas as seguintes disciplinas relativas ao objeto de pesquisa: a) Características físico-espaciais; b) Formas de uso; c) Sistema de ventilação e exaustão; d) Sistema de iluminação; e) Sistema de segurança contra sinistros e incêndio; f) Sistema de fiscalização e orientação de tráfego, comunicação e sinalização; g) Sistema de drenagem; h) Sistema de gerenciamento de resíduos sólidos. O túnel Rebouças (1962-1965) e o túnel Engenheiro Raymundo de Paula Soares (Linha Amarela) (1997), distanciados por mais de três décadas, foram escolhidos como estudos de caso, não tão somente devido aos seus portes, fluxos intensos de veículos etc., mas também devido aos contextos das evoluções normativas em que se inserem.

Mutagênese ambiental: estabelecimento de valores de referência para manguezais da Baía de Ilha Grande

Estudos ambientais têm demonstrado que substâncias geradas por processos antropogênicos podem causar efeitos prejudiciais interferindo no equilíbrio natural do ecossistema. Manguezais exercem funções essenciais nos ciclos biológicos e constituem Área de Proteção Permanente no Brasil. Infelizmente, eles estão sendo degradados acima do seu limite de suporte, levando a uma redução das áreas remanescentes no mundo. Este trabalho apresenta os resultados de mutagenicidade e genotoxicidade observados em quatro amostragens (PI, V, O e PII) entre 2009 e 2010, relacionados com metais e hidrocarbonetos policíclicos aromáticos (HPA) em sedimento de mangue para a caracterização dos valores de referência. Os testes de genotoxicidade foram feitos a partir de hemócitos do caranguejo Goniopsis cruentata, coletados em um ecossistema potencialmente não poluído do Brasil, localizado no sul do Rio de Janeiro (Parati/RJ), chamado de "Saco do Mamanguá". Coleta, armazenamento e manipulação dos sedimentos e material biológico de cinco pontos de amostragem (M1- M5) foram processados de acordo com normas norte-americanas reconhecidas. A identificação das substâncias químicas foi realizada com extratos de sedimentos e utilizada no bioensaio Salmonella/microssoma (Kado). A avaliação de potenciais danos genotóxicos estabelecidos foi realizada através do Teste de Micronúcleo, que apresentou valores significativos na amostra V. Resultados negativos foram observados para as cepas de Salmonella typhimurium TA97, TA98, TA100 e TA102, tanto na ausência quanto na presença de fração de metabolização exógena de mamíferos (S9 mix 4%) em todas as análises. A quantificação por cromatografia gasosa com detecção por espectrometria de massas dos 16 HPA prioritários em termos de conservação ambiental apresentou valores baixos nas duas primeiras amostragens (PI e V) e nulos nas coletas seguintes (O e PII), nos mesmos pontos. De acordo com os valores utilizados nos Estados Unidos e Canadá como referência, os detectados por nós não são considerados como toxicantes ambientais positivos, com exceção do Benzo(a)pireno, que em M1V apresentou valores um pouco acima do limite a partir do qual já podem ser observados pequenos efeitos na biota. A análise dos metais (Cd, Cr, Cu, Fe, Mn, Ni, Pb e Zn) por Espectrometria de Absorção Atômica inicialmente realizada com a água intersticial foi melhor interpretada a partir da matriz sedimento. Este estudo contribuirá com a implementação de indicadores para valores de referência em mangue.

Frame-level features conveying phonetic information for language and speaker recognition

150 p.