Adsorption of organic molecules at the TiO2(110) surface: the effect of van der Waals interactions

Understanding the interaction of organic molecules with TiO2 surfaces is important for a wide range of technological applications. While density functional theory (DFT) calculations can provide valuable insight about these interactions, traditional DFT approaches with local exchange-correlation functionals suffer from a poor description of non-bonding van der Waals (vdW) interactions. We examine here the contribution of vdW forces to the interaction of small organic molecules (methane, methanol, formic acid and glycine) with the TiO2 (110) surface, based on DFT calculations with the optB88-vdW functional. The adsorption geometries and energies at different configurations were also obtained in the standard generalized gradient approximation (GGA-PBE) for comparison. We find that the optB88-vdW consistently gives shorter surface adsorbate-to-surface distances and slightly stronger interactions than PBE for the weak (physisorbed) modes of adsorption. In the case of strongly adsorbed (chemisorbed) molecules both functionals give similar results for the adsorption geometries, and also similar values of the relative energies between different chemisorption modes for each molecule. In particular both functionals predict that dissociative adsorption is more favourable than molecular adsorption for methanol, formic acid and glycine, in general agreement with experiment. The dissociation energies obtained from both functionals are also very similar, indicating that vdW interactions do not affect the thermodynamics of surface deprotonation. However, the optB88-vdW always predicts stronger adsorption than PBE. The comparison of the methanol adsorption energies with values obtained from a Redhead analysis of temperature programmed desorption data suggests that optB88-vdW significantly overestimates the adsorption strength, although we warn about the uncertainties involved in such comparisons.

Using an individual-based model to select among alternative foraging strategies of woodpigeons: data support a memory-based model with a flocking mechanism

Population modelling is increasingly recognised as a useful tool for pesticide risk assessment. For vertebrates that may ingest pesticides with their food, such as woodpigeon (Columba palumbus), population models that simulate foraging behaviour explicitly can help predicting both exposure and population-level impact. Optimal foraging theory is often assumed to explain the individual-level decisions driving distributions of individuals in the field, but it may not adequately predict spatial and temporal characteristics of woodpigeon foraging because of the woodpigeons’ excellent memory, ability to fly long distances, and distinctive flocking behaviour. Here we present an individual-based model (IBM) of the woodpigeon. We used the model to predict distributions of foraging woodpigeons that use one of six alternative foraging strategies: optimal foraging, memory-based foraging and random foraging, each with or without flocking mechanisms. We used pattern-oriented modelling to determine which of the foraging strategies is best able to reproduce observed data patterns. Data used for model evaluation were gathered during a long-term woodpigeon study conducted between 1961 and 2004 and a radiotracking study conducted in 2003 and 2004, both in the UK, and are summarised here as three complex patterns: the distributions of foraging birds between vegetation types during the year, the number of fields visited daily by individuals, and the proportion of fields revisited by them on subsequent days. The model with a memory-based foraging strategy and a flocking mechanism was the only one to reproduce these three data patterns, and the optimal foraging model produced poor matches to all of them. The random foraging strategy reproduced two of the three patterns but was not able to guarantee population persistence. We conclude that with the memory-based foraging strategy including a flocking mechanism our model is realistic enough to estimate the potential exposure of woodpigeons to pesticides. We discuss how exposure can be linked to our model, and how the model could be used for risk assessment of pesticides, for example predicting exposure and effects in heterogeneous landscapes planted seasonally with a variety of crops, while accounting for differences in land use between landscapes.

Disparity-defined objects moving in depth do not elicit three-dimensional shape constancy

Observers generally fail to recover three-dimensional shape accurately from binocular disparity. Typically, depth is overestimated at near distances and underestimated at far distances [Johnston, E. B. (1991). Systematic distortions of shape from stereopsis. Vision Research, 31, 1351–1360]. A simple prediction from this is that disparity-defined objects should appear to expand in depth when moving towards the observer, and compress in depth when moving away. However, additional information is provided when an object moves from which 3D Euclidean shape can be recovered, be this through the addition of structure from motion information [Richards, W. (1985). Structure from stereo and motion. Journal of the Optical Society of America A, 2, 343–349], or the use of non-generic strategies [Todd, J. T., & Norman, J. F. (2003). The visual perception of 3-D shape from multiple cues: Are observers capable of perceiving metric structure? Perception and Psychophysics, 65, 31–47]. Here, we investigated shape constancy for objects moving in depth. We found that to be perceived as constant in shape, objects needed to contract in depth when moving toward the observer, and expand in depth when moving away, countering the effects of incorrect distance scaling (Johnston, 1991). This is a striking example of the failure of shape con- stancy, but one that is predicted if observers neither accurately estimate object distance in order to recover Euclidean shape, nor are able to base their responses on a simpler processing strategy.

Predicting spectral features in galaxy spectra from broad-band photometry

We explore the prospects of predicting emission-line features present in galaxy spectra given broad-band photometry alone. There is a general consent that colours, and spectral features, most notably the 4000 angstrom break, can predict many properties of galaxies, including star formation rates and hence they could infer some of the line properties. We argue that these techniques have great prospects in helping us understand line emission in extragalactic objects and might speed up future galaxy redshift surveys if they are to target emission-line objects only. We use two independent methods, Artificial Neural Networks (based on the ANNz code) and Locally Weighted Regression (LWR), to retrieve correlations present in the colour N-dimensional space and to predict the equivalent widths present in the corresponding spectra. We also investigate how well it is possible to separate galaxies with and without lines from broad-band photometry only. We find, unsurprisingly, that recombination lines can be well predicted by galaxy colours. However, among collisional lines some can and some cannot be predicted well from galaxy colours alone, without any further redshift information. We also use our techniques to estimate how much information contained in spectral diagnostic diagrams can be recovered from broad-band photometry alone. We find that it is possible to classify active galactic nuclei and star formation objects relatively well using colours only. We suggest that this technique could be used to considerably improve redshift surveys such as the upcoming Fibre Multi Object Spectrograph (FMOS) survey and the planned Wide Field Multi Object Spectrograph (WFMOS) survey.

Influence diagnostics in nonlinear mixed-effects elliptical models

In this work we propose and analyze nonlinear elliptical models for longitudinal data, which represent an alternative to gaussian models in the cases of heavy tails, for instance. The elliptical distributions may help to control the influence of the observations in the parameter estimates by naturally attributing different weights for each case. We consider random effects to introduce the within-group correlation and work with the marginal model without requiring numerical integration. An iterative algorithm to obtain maximum likelihood estimates for the parameters is presented, as well as diagnostic results based on residual distances and local influence [Cook, D., 1986. Assessment of local influence. journal of the Royal Statistical Society - Series B 48 (2), 133-169; Cook D., 1987. Influence assessment. journal of Applied Statistics 14 (2),117-131; Escobar, L.A., Meeker, W.Q., 1992, Assessing influence in regression analysis with censored data, Biometrics 48, 507-528]. As numerical illustration, we apply the obtained results to a kinetics longitudinal data set presented in [Vonesh, E.F., Carter, R.L., 1992. Mixed-effects nonlinear regression for unbalanced repeated measures. Biometrics 48, 1-17], which was analyzed under the assumption of normality. (C) 2009 Elsevier B.V. All rights reserved.

Neoproterozoic glacial dynamics revealed by provenance of diamictites of the Bebedouro Formation, Sao Francisco Craton, Central Eastern Brazil

One of the main questions on Neoproterozoic geology regards the extent and dynamics of the glacial systems that are recorded in all continents. We present evidence for short transport distances and localized sediment sources for the Bebedouro Formation, which records Neoproterozoic glaciomarine sedimentation in the central-eastern Sao Francisco Craton (SFC), Brazil. New data are presented on clast composition, based on point counting in thin section and SHRIMP dating of pebbles and detrital zircon. Cluster analysis of clast compositional data revealed a pronounced spatial variability of clast composition on diamictite indicating the presence of individual glaciers or ice streams feeding the basin. Detrital zircon ages reveal distinct populations of Archean and Palaeoproterozoic age. The youngest detrital zircon dated at 874 +/- 9 Ma constrains the maximum depositional age of these diamictites. We interpret the provenance of the glacial diamictites to be restricted to sources inside the SFC, suggesting deposition in an environment similar to ice streams from modern, high latitude glaciers.

Nytt fordon för transport av bränsleflis : Slutrapport (STEM-projekt 22127-1)

Högskolan Dalarna har i samarbete med Naturbränsle i Mellansverige AB genomfört studier på ett nytt fordon för transport av skogsflis. Fordonet är försett med egen lastningsutrustning (kran och skopa), vilket innebär att flisskördaren kan tippa flisen direkt på marken eller på en i förväg utlagd duk (minskar risken för föroreningar i samband med lastning). Studier har också genomförts på transport av flis med lastväxlarfordon och container (traditionell metod) för att jämförelser skall kunna göras mellan de olika fordonstyperna. Studierna har finansie¬rats via anslag från Statens Energimyndighet och via ”naturabidrag” från deltagande företag.Studierna visar att det nya transportfordonet är ett bättre alternativ än de traditionella last¬växlarfordonen på större objekt med långa transportavstånd. Dessutom pekar studien på att det är sannolikt är bättre även på små objekt under förutsättning att flisningskostnaden kan hållas på en rimlig nivå. Studierna visar också att det bör finnas en viss utvecklingspotential på det nya fordonet (teknik- och metodutveckling), varför det bedöms kunna konkurrera med lastväxlarfordonen även på andra typer av objekt.Jämfört med de traditionella lastväxlarfordonen har det nya fordonet bl.a. följande fördelar:•Transportarbetet blir lättare att planera i och med att beroendeförhållandet mellan in¬blandade maskiner och fordon för flisproduktion och transport upphör.••Risken för störningar i transportflödet minskar.•Miljövinsterna blir större jämfört med lastväxlarfordon som måste ställa ut tomma con¬tainrar innan flisningen kan påbörjas.•Det finns inget behov av lastmaskiner på terminalerna.•Flis kan mellanlagras i skogen.Till nackdelarna med det nya fordonet hör bl.a. följande:•Framkomligheten är något sämre än för lastväxlarfordon på mycket smala och kurviga skogsbilvägar.•Det finns en viss risk för att föroreningar följer med vid lastning av fordonet. Studies were carried out on a new vehicle for transport of fuel chips from the forest. The vehicle was equipped with a crane and a bucket meaning that the chipper may tip the fuel chips right on the ground or on a mat (vira from wood processing industry) to prevent from dirt such as sand and stones when loading. Studies were also carried out on traditional main hauling with transport bins. Transport speed was the same for all vehicles except for the new self-loader on forest roads with lower quality.The studies show that the new system probably is a better alternative on large sites with long transport distances and on sites with only little parking place for transport bins. It is also likely that the new vehicle may be used on very small sites if they are close to each other and if moving cost for the chipper is low.The studies show that the new vehicle has the following advantages:•Transport and other work may be planned in a better way leading to that stress de¬creases.•Dependence between chipper operators and truck drivers decreases.•The risk for disturbances in transport flow decreases.•Environment benefits compared to traditional system with higher traffic intensity (less exhaust gases and lower stress on roads and bridges).•No need for loading machines on terminals.•Easier to store fuel chips on landing.

Using GIS Network Analyst to Identify Suppliers for a Produce Co-op in Waterville, ME

The idea for organizing a cooperative market on Waterville Main Street was proposed by Aime Schwartz in the fall of 2008. The Co-op would entail an open market located on Main Street to provide fresh, local produce and crafts to town locals. Through shorter delivery distances and agreements with local farmers, the co-op theoretically will offer consumers lower prices on produce than can be found in conventional grocery stores, as well as an opportunity to support local agriculture. One of the tasks involved with organizing the Co-op is to source all of the produce from among the hundreds of farmers located in Maine. The purpose of this project is to show how Geographic Information System (GIS) tools can be used to help the Co-op and other businesses a) site nearby farms that carry desired produce and products, and b) determine which farms are closest to the business site. Using GIS for this purpose will make it easier and more efficient to source produce suppliers, and reduce the workload on business planners. GIS Network Analyst is a tool that provides network-based spatial analysis, and can be used in conjunction with traditional GIS technologies to determine not only the geometric distance between points, but also distance over existing networks (like roads). We used Network Analyst to find the closest produce suppliers to the Co-op for specific produce items, and compute how far they are over existing roads. This will enable business planners to source potential suppliers by distance before contacting individual farmers, allowing for more efficient use of their time and a faster planning process.

Slow Oscillations in the Mouse Hippocampus Entrained by Nasal Respiration

Different types of network oscillations occur in different behavioral, cognitive, or vigilance states. The rodent hippocampus expresses prominentoscillations atfrequencies between 4 and 12Hz,which are superimposed by phase-coupledoscillations (30 –100Hz).These patterns entrain multineuronal activity over large distances and have been implicated in sensory information processing and memory formation. Here we report a new type of oscillation at near- frequencies (2– 4 Hz) in the hippocampus of urethane-anesthetized mice. The rhythm is highly coherent with nasal respiration and with rhythmic field potentials in the olfactory bulb: hence, we called it hippocampal respiration-induced oscillations. Despite the similarity in frequency range, several features distinguish this pattern from locally generatedoscillations: hippocampal respiration-induced oscillations have a unique laminar amplitude profile, are resistant to atropine, couple differentlytooscillations, and are abolished when nasal airflow is bypassed bytracheotomy. Hippocampal neurons are entrained by both the respiration-induced rhythm and concurrent oscillations, suggesting a direct interaction between endogenous activity in the hippocampus and nasal respiratory inputs. Our results demonstrate that nasal respiration strongly modulates hippocampal network activity in mice, providing a long-range synchronizing signal between olfactory and hippocampal networks.

Proposta de localização de uma unidade de tratamento de óleo e gordura residual de fritura na cidade do Natal/RN para produção de biodiesel

This work addresses biodiesel by transesterification from the use of waste frying oil as a possible technological alternative for both reducing greenhouse gas emissions and by presenting themselves as an environmental call to designate a rational use of oil when no longer played in the environment to become renewable energy. It has proposed location of a residual oil and fat treatment plant to produce biodiesel, using models of Location and Routing for the improvement of routes. To achieve the goal, questionnaires were administered in establishments that use oil or vegetable fat in their productive activities in order to quantify the residue, to analyze actions and environmental perception of people who work directly with the residue on the destination you are being given to oil and fat used. It has indicated using of two single setup location, the method of Center of Gravity and the model of Ardalan, a geographical point that minimizes the costs of transporting waste to the treatment plant. Actions have been proposed for the improvement of collection routes this residue using the Routing Method of Scanning, as an illustration. The results demonstrated the lack of knowledge of the people who deal directly with large amounts of waste, on the environmental impacts caused by their incorrect disposal. The models used were uniform since point out to neighborhoods in similar regions. The neighborhoods of Lagoa Nova / Morro Branco (Ardalan) and Nova Descoberta (Center of Gravity) as ideal for the installation of treatment plant. However, it is suggested to be tested other models that take into account new variables than those used (supply of waste and the distance between points). The routing through the method of scanning has shown that it is possible, in a simple way to optimize routes in order to reduce distances and therefore the logistics costs in the collection of such waste. Introducing a route as a test to gather the twenty largest oil suppliers used in sample frying, using as a main factor time 8 hour of working shift every day

Algoritmos para o problema de localização de uma facilidade com distâncias limitadas e restrições de atendimento

The objective in the facility location problem with limited distances is to minimize the sum of distance functions from the facility to the customers, but with a limit on each distance, after which the corresponding function becomes constant. The problem has applications in situations where the service provided by the facility is insensitive after a given threshold distance (eg. fire station location). In this work, we propose a global optimization algorithm for the case in which there are lower and upper limits on the numbers of customers that can be served

Desenvolvimento de um protocolo de comunicação para automação de subestações móveis via satélite

One of the most important decisions to turn a substation automatic and no attended it relates to the communication media between this substation and Operation Center. Generally energy companies uses radio or optic fiber, depending of distances and infrastructure of each situation. This rule applies to common substations. Mobile substations are a particular case, therefore they are conceived for use at provisional situations, emergencies, preventive or corrective maintenance. Thus the telecommunication solution used at common substations are not applied so easily to mobile substations, due absence of infrastructure (media) or difficulty to insert the mobile substation data in existing automation network not long. The ideal media must supply covering in a great geographic area to satisfy presented requirements. The implantation costs of this big infrastructure are expensive, however a existing operator may be used. Two services that fulfill that requirements are satellite and cellular telephony. This work presents a solution for automation of mobile substations through satellite. It was successfully implanted at a brazilian electric energy concessionaire named COSERN. The operation became transparent to operators. Other gotten benefits had been operational security, quality in the supply of electric energy and costs reduction. The project presented is a new solution, designed to substations and general applications where few data should be transmitted, but there is difficulties in relation to the media. Despite the satellite having been used, the same resulted can be gotten using celullar telephony, through Short Messages or packet networks as GPRS or EDGE.

O Brasil que Portugal escreveu: pedagogia e política sem comemorações

O estudo aqui proposto centrar-se-á nas imagens do Brasil expressas por manuais didáticos, por periódicos e por intelectuais portugueses do século XIX. Pretende-se, a partir de tal documentação, reconstituir alguma atmosfera mental que circundava as idéias de Brasil e a percepção da nação portuguesa sobre o tema do Brasil, da emigração e dos brasileiros. Mediante tal enfoque, entendemos ser possível tanto compreender as identidades que configuravam uma dada mitologia cultural quanto a demarcação de distâncias e diferenças.

A low-cost 3D reconstruction system using a single-shot projection of a pattern matrix

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

New species of Moenkhausia Eigenmann, 1903 (Characiformes: Characidae) with comments on the Moenkhausia oligolepis species complex

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)