An Optimizing Compiler for Parallel Chemistry Simulations

Well designed domain specific languages have three important benefits: (1) the easy expression of problems, (2) the application of domain specific optimizations (including parallelization), and (3) dramatic improvements in productivity for their users. In this paper we describe a compiler and parallel runtime system for modeling the complex kinetics of rubber vulcanization and olefin polymerization that achieves all of these goals. The compiler allows the development of a system of ordinary differential equations describing a complex vulcanization reaction or single-site olefin polymerization reaction—a task that used to require months—to be done in hours. A specialized common sub-expression elimination and other algebraic optimizations sufficiently simplify the complex machine generated code to allow it to be compiled—eliminating all but 8.0% of the operations in our largest program and enabling over 60 times faster execution on our largest benchmark codes. The parallel runtime and dynamic load balancing scheme enables fast simulations of the model.     

Iron Mobilization from Ferritin in Yeast Cell Lysate and Physiological Implications

Most in vitro iron mobilization studies from ferritin have been performed in aqueous buffered solutions using a variety of reducing substances. The kinetics of iron mobilization from ferritin in a medium that resembles the complex milieu of cells could dramatically differ from those in aqueous solutions, and to our knowledge, no such studies have been performed. Here, we have studied the kinetics of iron release from ferritin in fresh yeast cell lysates and examined the effect of cellular metabolites on this process. Our results show that iron release from ferritin in buffer is extremely slow compared to cell lysate under identical experimental conditions, suggesting that certain cellular metabolites present in yeast cell lysate facilitate the reductive release of ferric iron from the ferritin core. Using filtration membranes with different molecular weight cut-offs (3, 10, 30, 50, and 100 kDa), we demonstrate that a cellular component >50 kDa is implicated in the reductive release of iron. When the cell lysate was washed three times with buffer, or when NADPH was omitted from the solution, a dramatic decrease in iron mobilization rates was observed. The addition of physiological concentrations of free flavins, such as FMN, FAD, and riboflavin showed about a two-fold increase in the amount of released iron. Notably, all iron release kinetics occurred while the solution oxygen level was still high. Altogether, our results indicate that in addition to ferritin proteolysis, there exists an auxiliary iron reductive mechanism that involves long-range electron transfer reactions facilitated by the ferritin shell. The physiological implications of such iron reductive mechanisms are discussed.     

Some Thermodynamic Aspects of the Oxides of Chromium

To understand Cr emissions from slag melts to a vapor phase, an assessment of the stabilities of the chromium oxides at high temperatures has been carried out. The objective of the present study is to present a set of consistent data corresponding to the thermodynamic properties of the oxides of chromium, with special reference to the emission of hexavalent chromium from slags. In the current work, critical analysis of the experimental data available and a third analysis in the case of Cr₂O₃ have been carried out. Commercial databases, Fact Sage and ThermoCalc along with NIST-JANAF Thermochemical Tables, have been used for the analysis and comparisons of the results that are presented. The significant discrepancies in the available data have been pointed out. The data from NIST-JANAF Thermochemical Tables have been found to provide a set of consistent data for the various chromium oxides. An Ellingham diagram and the equations for the ΔG° (standard Gibbs free energy change) of formation of CrO _x have been proposed. The present analysis shows that CrO₃(g) is likely to be emitted from slag melts at high oxygen partial pressures.     

Image coding based on maximum entropy partitioning for identifying improbable intensities related to facial expressions

In this paper we investigate information-theoretic image coding techniques that assign longer codes to improbable, imprecise and non-distinct intensities in the image. The variable length coding techniques when applied to cropped facial images of subjects with different facial expressions, highlight the set of low probability intensities that characterize the facial expression such as the creases in the forehead, the widening of the eyes and the opening and closing of the mouth. A new coding scheme based on maximum entropy partitioning is proposed in our work, particularly to identify the improbable intensities related to different emotions. The improbable intensities when used as a mask decode the facial expression correctly, providing an effective platform for future emotion categorization experiments.     

Thermoplastic olefin/clay nanocomposites: Morphology and mechanical properties

Thermoplastic olefin (TPO)/clay nanocomposites were made with clay loadings of 0.6–6.7 wt %. The morphology of these TPO/clay nanocomposites was investigated with atomic force microscopy, transmission electron microscopy (TEM), and X‐ray diffraction. The ethylene–propylene rubber (EPR) particle morphology in the TPO underwent progressive particle breakup and decreased in particle size as the clay loading increased from 0.6 to 5.6 wt %. TEM micrographs showed that the clay platelets preferentially segregated to the rubber–particle interface. The breakup of the EPR particles was suspected to be due to the increasing melt viscosity observed as the clay loading increased or to the accompanying chemical modifiers of the clay, acting as interfacial agents and reducing the interfacial tension with a concomitant reduction in the particle size. The flexural modulus of the injection moldings increased monotonically as the clay loading increased. The unnotched (Izod) impact strength was substantially increased or maintained, whereas the notched (Izod) impact strength decreased modestly as the clay loading increased. © 2004 Wiley Periodicals, Inc. J Appl Polym Sci 92: 928–936, 2004     

应对生物样品中生长促进剂领域的新挑战

Xevo TQ质谱系统能在规定的最大残留量（maximum residue limit,MRL）水平上高灵敏地检测皮质类固醇,为复杂体系如肝脏分析方法的缺少提供了一条解决途径。此外,中性丢失模式的高灵敏度使得皮质类固醇和β-兴奋剂新的种属筛选变得更为容易。     

MRMR Based Feature Vector Design for Efficient Citrus Disease Detection

In recent times, the images and videos have emerged as one of the most important information source depicting the real time scenarios. Digital images nowadays serve as input for many applications and replacing the manual methods due to their capabilities of 3D scene representation in 2D plane. The capabilities of digital images along with utilization of machine learning methodologies are showing promising accuracies in many applications of prediction and pattern recognition. One of the application fields pertains to detection of diseases occurring in the plants, which are destroying the widespread fields. Traditionally the disease detection process was done by a domain expert using manual examination and laboratory tests. This is a tedious and time consuming process and does not suffice the accuracy levels. This creates a room for the research in developing automation based methods where the images captured through sensors and cameras will be used for detection of disease and control its spreading. The digital images captured from the field's forms the dataset which trains the machine learning models to predict the nature of the disease. The accuracy of these models is greatly affected by the amount of noise and ailments present in the input images, appropriate segmentation methodology, feature vector development and the choice of machine learning algorithm. To ensure the high rated performance of the designed system the research is moving in a direction to fine tune each and every stage separately considering their dependencies on subsequent stages. Therefore the most optimum solution can be obtained by considering the image processing methodologies for improving the quality of image and then applying statistical methods for feature extraction and selection. The training vector thus developed is capable of presenting the relationship between the feature values and the target class. In this article, a highly accurate system model for detecting the diseases occurring in citrus fruits using a hybrid feature development approach is proposed. The overall improvement in terms of accuracy is measured and depicted.     

Speed prediction models for car and sports utility vehicle at locations along four-lane median divided horizontal curves

Sites with varying geometric features were analyzed to develop the 85th percentile speed prediction models for car and sports utility vehicle (SUV) at 50 m prior to the point of curvature (PC), PC, midpoint of a curve (MC), point of tangent (PT) and 50 m beyond PT on four-lane median divided rural highways. The car and SUV speed data were combined in the analysis as they were found to be normally distributed and not significantly different. Independent parameters representing geometric features and speed at the preceding section were logically selected in stepwise regression analyses to develop the models. Speeds at various locations were found to be dependent on some combinations of curve length, curvature and speed in the immediately preceding section of the highway. Curve length had a significant effect on the speed at locations 50 m prior to PC, PC and MC. The effect of curvature on speed was observed only at MC. The curve geometry did not have a significant effect on speed from PT onwards. The speed at 50 m prior to PC and curvature is the most significant parameter that affects the speed at PC and MC, respectively. Before entering a horizontal curve, drivers possibly perceive the curve based on its length. Longer curve encourages drivers to maintain higher speed in the preceding tangent section. Further, drivers start experiencing the effect of curvature only after entering the curve and adjust speed accordingly. Practitioners can use these findings in designing consistent horizontal curve for vehicle speed harmony.

     

Insider attack mitigation in a smart metering infrastructure using reputation score and blockchain technology

International Journal of Information Security - The increasing use of smart metering infrastructure invites security threats through trusted insiders in spite of the devices’ authentication...