A 3D MHD model of astrophysical flows: algorithms, tests and parallelisation

In this paper we describe a numerical method designed for modelling different kinds of astrophysical flows in three dimensions. Our method is a standard explicit finite difference method employing the local shearing-box technique. To model the features of astrophysical systems, which are usually compressible, magnetised and turbulent, it is desirable to have high spatial resolution and large domain size to model as many features as possible, on various scales, within a particular system. In addition, the time-scales involved are usually wide-ranging also requiring significant amounts of CPU time. These two limits (resolution and time-scales) enforce huge limits on computational capabilities. The model we have developed therefore uses parallel algorithms to increase the performance of standard serial methods. The aim of this paper is to report the numerical methods we use and the techniques invoked for parallelising the code. The justification of these methods is given by the extensive tests presented herein.Comment: 17 pages with 21 GIF figures. Accepted for publication in A&

Haptography: Capturing and Recreating the Rich Feel of Real Surfaces

Haptic interfaces, which allow a user to touch virtual and remote environments through a hand-held tool, have opened up exciting new possibilities for applications such as computer-aided design and robot-assisted surgery. Unfortunately, the haptic renderings produced by these systems seldom feel like authentic re-creations of the richly varied surfaces one encounters in the real world. We have thus envisioned the new approach of haptography, or haptic photography, in which an individual quickly records a physical interaction with a real surface and then recreates that experience for a user at a different time and/or place. This paper presents an overview of the goals and methods of haptography, emphasizing the importance of accurately capturing and recreating the high frequency accelerations that occur during tool-mediated interactions. In the capturing domain, we introduce a new texture modeling and synthesis method based on linear prediction applied to acceleration signals recorded from real tool interactions. For recreating, we show a new haptography handle prototype that enables the user of a Phantom Omni to feel fine surface features and textures

Optical Properties of Gyroid Structured Materials: From Photonic Crystals to Metamaterials

The gyroid is a continuous and triply periodic cubic morphology which possesses a constant mean curvature surface across a range of volumetric ll fractions. Found in a variety of natural and synthetic systems which form through self-assembly, from buttery wing scales to block copolymers, the gyroid also exhibits an inherent chirality not observed in any other similar morphologies. These unique geometrical properties impart to gyroid structured materials a host of interesting optical properties. Depending on the length scale on which the constituent materials are organised, these properties arise from starkly di erent physical mechanisms (such as a complete photonic band gap for photonic crystals and a greatly depressed plasma frequency for optical metamaterials). This article reviews the theoretical predictions and experimental observations of the optical properties of two fundamental classes of gyroid structured materials: photonic crystals (wavelength scale) and metamaterials (subwavelength scale).This work was supported by the EPSRC through the Cambridge NanoDTC EP/G037221/1, EP/G060649/1, EP/L027151/1, and ERC LINASS 320503.This is the accepted manuscript version of the article. The final version is available from Wiley via http://dx.doi.org/10.1002/adom.20140033

Altered spin state equilibrium in the T309V mutant of cytochrome P450 2D6: a spectroscopic and computational study

Cytochrome P450 2D6 (CYP2D6) is one of the most important cytochromes P450 in humans. Resonance Raman data from the T309V mutant of CYP2D6 show that the substitution of the conserved I-helix threonine situated in the enzyme’s active site perturbs the heme spin equilibrium in favor of the six-coordinated low-spin species. A mechanistic hypothesis is introduced to explain the experimental observations, and its compatibility with the available structural and spectroscopic data is tested using quantum-mechanical density functional theory calculations on active-site models for both the CYP2D6 wild type and the T309V mutant

A simple and rapid chemiluminescence assay for on-site analysis of paraquat using a portable luminometer

Paraquat (N,N′-dimethyl-4,4′-bipyridinium dichloride) is one of the most widely used herbicides owing to its high efficacy and low environmental persistence. However, because paraquat has significant acute toxicity, fatalities are often caused by accidental or voluntary ingestion of paraquat. In consideration of the strong toxicity and fast-Acting property of paraquat, on-site analysis at accident scenes should be effective in facilitating immediate medical treatment. In this study, a simple and rapid chemiluminescence assay using a portable luminometer was developed for on-site analysis of paraquat. The proposed assay is based on luminol chemiluminescence detection of superoxide anion radical resulting from the redox reaction between paraquat and dithiothreitol. Intense chemiluminescence was observed after mixing of paraquat and dithiothreitol in the presence of luminol. Because the chemiluminescence intensity was proportional to the concentration of paraquat, a quantitative measurement of paraquat was possible. The calibration curve for standard paraquat solution was linear from 0.025 to 2.5 μM with the correlation coefficient of 0.992; the detection limit (blank + 3SD) was 22 nM. The proposed assay was applied to determine paraquat in beverage samples after a cation exchange clean-up procedure. Given that the portable luminometer used in this study is small and lightweight, the proposed assay should be useful for on-site analysis of paraquat

Dominância fiscal : uma investigação empírica sobre o caso brasileiro no período de 2003 a 2014

A estabilização econômica dos anos de 1990 e a adoção do tripé econômico, a partir de 1999, marcam o fim de um capítulo delicado da história brasileira; a partir de então, era necessária a existência de certa sintonia de políticas monetária e fiscal para a manutenção do controle dos diversos indicadores econômicos. Contudo, com essa reciprocidade na política econômica, são incitadas discussões sobre a orientação do governo na hora de definir suas prioridades nesse campo: as variáveis fiscais são priorizadas e, por conseguinte, determinadas, forçando as monetárias a se ajustarem – ou o contrário? A resposta para esse questionamento leva à discussão sobre a dominância fiscal. Assim, esse trabalho visa verificar empiricamente, usando das modelagens econométricas VAR e estudo de eventos, se há dominância fiscal ou monetária na economia brasileira e se a eficácia da política monetária mudou na transição do governo Lula para o governo Dilma. O resultado foi inconclusivo para o governo Lula e indicou dominância fiscal no governo Dilma. Ainda verificou-se não haver modificação na eficácia da política monetária.Economic stabilization, in the 1990s, and utilization of an economic tripod, after 1999, represents the end of a delicate chapter in Brazilian history. Ever since, it was necessary the existence of a certain agreement between monetary and fiscal politic, in order to maintain under control a variety of economic indicators. However, this reciprocity (in economic politic) starts discussions about the real government orientations when it comes to define its priority on this subject: are the fiscal variables priorized, and then, determined, forcing monetary variables to adjust themselves, or the opposite? The answer to these questions emerge from the fiscal dominance discussion. This paper intends to empiric verify, using econometric modeling VAR and event study, if there is fiscal dominance or monetary in Brazilian economy and whether the effectiveness of monetary politic has changed in the transition from Lula's government to the Dilma government. The result was inconclusive for the Lula government and indicated fiscal dominance in the Dilma government. There was still no change in the efficiency of the monetary politic.CAPE