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.     

Parametric Study of Jatropha Seeds for Biodiesel Production by Reactive Extraction

The purpose of the present study was to reduce the cost and increase the efficiency of biodiesel production by reactive extraction (in situ) of Jatropha seeds. Oil from the seeds was extracted and reacted in a single step. Experimental studies have been carried out to maximize the yield of biodiesel by varying the reaction parameters viz. seed size (<0.85 mm to >2.46 mm), seed/solvent ratio (w/w) (1:2.6–1:7.8) and catalyst concentration (0.05–0.1 M). Under the optimized conditions: seed size (>2.46 mm), seed/solvent ratio (w/w) (1:7.8), catalyst concentration (0.1 M) and reaction time 1 h, approximately 98% conversion to biodiesel was achieved meeting International (ASTM) as well as National (BIS) specifications. The results were supported by HPLC analysis.     

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     

Order estimation of 2-dimensional complex superimposed exponential signal model using exponentially embedded family (EEF) rule: large sample consistency properties

Multidimensional Systems and Signal Processing - In this paper, we consider the order estimation problem of a 2-dimensional complex superimposed exponential signal model in presence of additive...     

Carcass traits of Kheri lambs maintained on different system of feeding management

The study was conducted on 6-month-old finisher lambs of the Kheri breed raised under extensive range management (G1), grazing with ad libitum concentrate supplementation (G2) or intensive feeding (G3) to assess dressing yield, cutability of standard cuts, composition of the carcass and the efficiency of mutton production from the three defined systems. The weaning weight of the lambs in the three groups was similar while the finishing weight, total body weight gain in the experiment, average daily gain and the percent feed conversion efficiency were higher (P<0.01) in G2 and G3 than G1. The pre slaughter weight (PSW), empty live weight (ELW), hot carcass weight and hot carcass weight with edible offal was higher (P<0.01) in G2 and G3 fed on a high plane of nutrition than G1 raised under extensive range management. The dressing percent in terms of live weight (LW) and empty live weight (ELW) was also higher in G2 and G3 than G1. The loin eye area as an index of muscle growth was also higher in G2 and G3 than G1. Although the weights of standard cuts were generally higher in G2 and G3 due to higher PSW, as proportions of half carcass they were similar in the three groups, except the rack cut, which was higher in G2 and G3. The cut proportions pooled for the three groups averaged 33.2%, 12.3%, 13.3%, 24.9% and 16.3% of half carcass for leg, loin, rack, neck and shoulder and breast and fore shank, respectively. The depot fat (Caul and kidney fat) accretion was higher in G2 and G3 than G1. The composition of the half carcass indicated that lean percent was higher (P<0.01) in G1 and G2 than G3 while sub cutaneous and intra muscular fat content were generally higher (P<0.01) in G2 and G3 and KOH bone percent was higher (P<0.05) in G1 and G2 than G3. The results indicated that the growth performance was better, feed conversion efficiency, carcass yield and dressing percentage higher in lambs maintained under grazing with supplementation and intensive feeding than extensive range management. The carcass separable fat content was 8% under extensive range management while it was 12% and 16% in semi intensive and intensive system of feeding management indicating that the carcass was of acceptable quality. The loin eye area reflected the trends of pre slaughter weight and was higher in intensive and semi intensive than extensive range management.     

Carbon micro/nano spring structures in the absence of sulphurous promoter by CCVD method

Carbon microcoils are generally prepared by catalytic chemical vapor deposition of acetylene, using Ni as the catalyst and thiophene as the promoter. In this work, a new catalyst has been developed on purpose to avoid the introducing of noxious and unpleasant thiophene during the reaction process. The products obtained at temperature of 740 degrees C were pure, regular and had perfect morphology. Scanning electron microscopy and Raman spectroscopy were employed to characterize the asprepared carbon microcoils.