Effect of caffeine on adenosine-induced reversible perfusion defects assessed by automated analysis

Objectives This prospective study investigated the effects of caffeine ingestion on the extent of adenosine-induced perfusion abnormalities during myocardial perfusion imaging (MPI). Methods Thirty patients with inducible perfusion abnormalities on standard (caffeine-abstinent) adenosine MPI underwent repeat testing with supplementary coffee intake. Baseline and test MPIs were assessed for stress percent defect, rest percent defect, and percent defect reversibility. Plasma levels of caffeine and metabolites were assessed on both occasions and correlated with MPI findings. Results Despite significant increases in caffeine [mean difference 3,106 μg/L (95% CI 2,460 to 3,752 μg/L; P < .001)] and metabolite concentrations over a wide range, there was no statistically significant change in stress percent defect and percent defect reversibility between the baseline and test scans. The increase in caffeine concentration between the baseline and the test phases did not affect percent defect reversibility (average change −0.003 for every 100 μg/L increase; 95% CI −0.17 to 0.16; P = .97). Conclusion There was no significant relationship between the extent of adenosine-induced coronary flow heterogeneity and the serum concentration of caffeine or its principal metabolites. Hence, the stringent requirements for prolonged abstinence from caffeine before adenosine MPI—based on limited studies—appear ill-founded.

Sources of productivity growth in health services : a case study of Queensland public hospitals

Improving the performance of health sector is one of the most popular issues in Australia. This paper contributes to this important policy debate by examining the efficiency of health facilities in Queensland using the Malmquist Productivity Index (MPI). This method is selected because it is suitable for the multi-input, multi-output, and not-for-profit natures of public health services. In addition, with the availability of panel data we can decompose productivity growth into useful components, including technical efficiency changes, technological changes and scale changes. The results revealed an average of 1.6 per cent of growth in total factor productivity (TFP) among Queensland public hospitals in the study period. The main component contributing to the modest improvement of TFP during the period was catching-up at an average of 1.0 per cent. SFA estimates suggest that the number of nurses is the most influential determinant of output.

An agent-based approach to immune modelling

This study focuses on trying to understand why the range of experience with respect to HIV infection is so diverse, especially as regards to the latency period. The challenge is to determine what assumptions can be made about the nature of the experience of antigenic invasion and diversity that can be modelled, tested and argued plausibly. To investigate this, an agent-based approach is used to extract high-level behaviour which cannot be described analytically from the set of interaction rules at the cellular level. A prototype model encompasses local variation in baseline properties contributing to the individual disease experience and is included in a network which mimics the chain of lymphatic nodes. Dealing with massively multi-agent systems requires major computational efforts. However, parallelisation methods are a natural consequence and advantage of the multi-agent approach. These are implemented using the MPI library.

Structures of mannose-6-phosphate isomerase from Salmonella typhimurium bound to metal atoms and substrate: implications for catalytic mechanism

Mannose-6-phosphate isomerase (MPI) catalyzes the inter-conversion of mannose 6-phosphate and fructose 6-phosphate. X-ray crystal structures of MPI from Salmonella typhimurium in the apo form (with no metal bound) and in the holo form (with bound Zn2+) and two other structures with yttrium bound at an inhibitory site and complexed with Zn2+ and fructose 6-phosphate (F6P) were determined in order to gain insights into the structure and the isomerization mechanism. Isomerization involves acid/base catalysis with proton transfer between the C1 and C2 atoms of the substrate. His99, Lys132, His131 and Asp270 are close to the substrate and are likely to be the residues involved in proton transfer. The interactions observed at the active site suggest that the ring-opening step is probably catalyzed by His99 and Asp270. An active-site loop consisting of residues 130-133 undergoes conformational changes upon substrate binding. Zn2+ binding induces structural order in the loop consisting of residues 50-54. The metal atom appears to play a role in substrate binding and is probably also important for maintaining the architecture of the active site. Isomerization probably follows the previously suggested cis-enediol mechanism.

Parallelization of an unstructured data based cell centre finite volume code, HIFUN-3D

This work describes the parallelization of High Resolution flow solver on unstructured meshes, HIFUN-3D, an unstructured data based finite volume solver for 3-D Euler equations. For mesh partitioning, we use METIS, a software based on multilevel graph partitioning. The unstructured graph used for partitioning is associated with weights both on its vertices and edges. The data residing on every processor is split into four layers. Such a novel procedure of handling data helps in maintaining the effectiveness of the serial code. The communication of data across the processors is achieved by explicit message passing using the standard blocking mode feature of Message Passing Interface (MPI). The parallel code is tested on PACE++128 available in CFD Center

Parallel implementation of alternate quadrant interlocking factorisation method on star topology

This paper discusses the parallel implementation of the solution of a set of linear equations using the Alternative Quadrant Interlocking Factorisation Methods (AQIF), on a star topology. Both the AQIF and LU decomposition methods are mapped onto star topology on an IBM SP2 system, with MPI as the internode communicator. Performance parameters such as speedup, efficiency have been obtained through experimental and theoretical means. The studies demonstrate (i) a mismatch of 15% between the theoretical and experimental results, (ii) scalability of the AQIF algorithm, and (iii) faster executing AQIF algorithm.

An Efficient MPI_Allgather for Grids

Allgather is an important MPI collective communication. Most of the algorithms for allgather have been designed for homogeneous and tightly coupled systems. The existing algorithms for allgather on Gridsystems do not efficiently utilize the bandwidths available on slow wide-area links of the grid. In this paper, we present an algorithm for allgather on grids that efficiently utilizes wide-area bandwidths and is also wide-area optimal. Our algorithm is also adaptive to gridload dynamics since it considers transient network characteristics for dividing the nodes into clusters. Our experiments on a real-grid setup consisting of 3 sites show that our algorithm gives an average performance improvement of 52% over existing strategies.

Coupled Climate Model on Grids

Community Climate System Model (CCSM) is a Multiple Program Multiple Data (MPMD) parallel global climate model comprising atmosphere, ocean, land, ice and coupler components. The simulations have a time-step of the order of tens of minutes and are typically performed for periods of the order of centuries. These climate simulations are highly computationally intensive and can take several days to weeks to complete on most of today’s multi-processor systems. ExecutingCCSM on grids could potentially lead to a significant reduction in simulation times due to the increase in number of processors. However, in order to obtain performance gains on grids, several challenges have to be met. In this work,we describe our load balancing efforts in CCSM to make it suitable for grid enabling.We also identify the various challenges in executing CCSM on grids. Since CCSM is an MPI application, we also describe our current work on building a MPI implementation for grids to grid-enable CCSM.

A study of the speed and the accuracy of the Boundary Element Method as applied to the computational simulation of biological organs

In this work, first a Fortran code is developed for three dimensional linear elastostatics using constant boundary elements; the code is based on a MATLAB code developed by the author earlier. Next, the code is parallelized using BLACS, MPI, and ScaLAPACK. Later, the parallelized code is used to demonstrate the usefulness of the Boundary Element Method (BEM) as applied to the realtime computational simulation of biological organs, while focusing on the speed and accuracy offered by BEM. A computer cluster is used in this part of the work. The commercial software package ANSYS is used to obtain the `exact' solution against which the solution from BEM is compared; analytical solutions, wherever available, are also used to establish the accuracy of BEM. A pig liver is the biological organ considered. Next, instead of the computer cluster, a Graphics Processing Unit (GPU) is used as the parallel hardware. Results indicate that BEM is an interesting choice for the simulation of biological organs. Although the use of BEM for the simulation of biological organs is not new, the results presented in the present study are not found elsewhere in the literature. Also, a serial MATLAB code, and both serial and parallel versions of a Fortran code, which can solve three dimensional (3D) linear elastostatic problems using constant boundary elements, are provided as supplementary files that can be freely downloaded.

PocketMatch (version 2.0): A parallel algorithm for the detection of structural similarities between protein ligand binding-sites

Knowledge of protein-ligand interactions is essential to understand several biological processes and important for applications ranging from understanding protein function to drug discovery and protein engineering. Here, we describe an algorithm for the comparison of three-dimensional ligand-binding sites in protein structures. A previously described algorithm, PocketMatch (version 1.0) is optimised, expanded, and MPI-enabled for parallel execution. PocketMatch (version 2.0) rapidly quantifies binding-site similarity based on structural descriptors such as residue nature and interatomic distances. Atomic-scale alignments may also be obtained from amino acid residue pairings generated. It allows an end-user to compute database-wide, all-to-all comparisons in a matter of hours. The use of our algorithm on a sample dataset, performance-analysis, and annotated source code is also included.

OPTICAL FLOW ESTIMATION USING APPROXIMATE NEAREST NEIGHBOR FIELD FUSION

This paper proposes an optical flow algorithm by adapting Approximate Nearest Neighbor Fields (ANNF) to obtain a pixel level optical flow between image sequence. Patch similarity based coherency is performed to refine the ANNF maps. Further improvement in mapping between the two images are obtained by fusing bidirectional ANNF maps between pair of images. Thus a highly accurate pixel level flow is obtained between the pair of images. Using pyramidal cost optimization, the pixel level optical flow is further optimized to a sub-pixel level. The proposed approach is evaluated on the middlebury dataset and the performance obtained is comparable with the state of the art approaches. Furthermore, the proposed approach can be used to compute large displacement optical flow as evaluated using MPI Sintel dataset.

Optical Flow based on Approximate Nearest Neighbor Field

In this work, we propose an algorithm for optical flow estimation using Approximate Nearest Neighbor Fields (ANNF). Proposed optical flow estimation algorithm consists of two steps, flow initialization using ANNF maps and cost filtering. Flow initialization is done by computing the ANNF map using FeatureMatch between two consecutive frames. The ANNF map obtained represents a noisy optical flow, which is refined by making use of superpixels. The best flow associated with each superpixel is computed by optimizing a cost function. The proposed approach is evaluated on Middlebury and MPI-Sintel optical flow dataset and is found to be comparable with the state of the art methods for optical flow estimation.

Fault Tolerance on Large Scale Systems using Adaptive Process Replication

Exascale systems of the future are predicted to have mean time between failures (MTBF) of less than one hour. At such low MTBFs, employing periodic checkpointing alone will result in low efficiency because of the high number of application failures resulting in large amount of lost work due to rollbacks. In such scenarios, it is highly necessary to have proactive fault tolerance mechanisms that can help avoid significant number of failures. In this work, we have developed a mechanism for proactive fault tolerance using partial replication of a set of application processes. Our fault tolerance framework adaptively changes the set of replicated processes periodically based on failure predictions to avoid failures. We have developed an MPI prototype implementation, PAREP-MPI that allows changing the replica set. We have shown that our strategy involving adaptive process replication significantly outperforms existing mechanisms providing up to 20 percent improvement in application efficiency even for exascale systems.

Fast Computing For Lurr Of Earthquake Prediction

The LURR theory is a new approach for earthquake prediction, which achieves good results in earthquake prediction within the China mainland and regions in America, Japan and Australia. However, the expansion of the prediction region leads to the refinement of its longitude and latitude, and the increase of the time period. This requires increasingly more computations, and the volume of data reaches the order of GB, which will be very difficult for a single CPU. In this paper, a new method was introduced to solve this problem. Adopting the technology of domain decomposition and parallelizing using MPI, we developed a new parallel tempo-spatial scanning program.

沿平板可压缩湍流边界层的直接数值模拟

湍流广泛存在于自然界和工程应用中。可压平板湍流是一种典型的壁湍流，对其进行直接数值模拟研究是壁湍流机理研究的基础。本文采用高精度紧致型差分格式求解三维可压N-S方程，利用MPI并行程序，直接数值模拟了来流马赫数为M的＝2．25，雷诺数为Re＝635O00／in．的空间发展的可压缩平板湍流边界层。本文主要研究了如下一些问题。方法研究方面：●针对壁湍流流动的特点，文中提出了与基于非等距网格高精度紧致型差分格式相结合的简化的迭代一隐式时间推进法，建立了可压缩平板湍流边界层直接数值模拟方法。提高了计算效率，并给出了迭代收敛的条件。●研究了不同网格加密方法对数值解分辨率的影响，指出在保证近物面附近物理平面内网格是均匀的条件下，采用坐标变换的方法也可得到近物面高分辨率的数值解，纠正了人们认为只有在基于非等距网格上才能得到高分辨率解的观点。●采用包括前缘在内的二维可压平板层流边界层直接数值模拟结果为三维可压平板湍流边界层计算提供上游边界条件，解决了国外采用的局限性很大的经验公式带来的不相容问题。物理问题的模拟研究：●在国内首次给出了超声速平板边界层从层流经bypass转披直到充分发展湍流的整个过程。所得流场统计特征（如平均速度分布，物面摩阻系数，脉动速度的均方根等）与相关理论和实验符合甚好。这些结果充分证实了本文所建立的数值方法的有效性和所得结果的可靠性。●在此基础上，文中分析了可压平板湍流边界层内的拟序结构的形成过程。研究了初始扰动对平板边界层流动转挨特征的影响，指出上游初始扰动中展向的非对称性是形成bypass转挨的关键因素，且较大的时间扰动频率使得边界层转披位置后移。这些结果为壁湍流控制提供一定依据。●在此基础上研究了可压缩效应对平均流动特征以及湍能的生成和耗散特征的影响，指出在Mc∞=2.25的情况下，Morkovin假设基本成立。但可压缩效应使得边界层内层中过渡层加宽；拟序结构有明显差别。与不可压相比上抛、下扫对不同区域的作用有所不同。在近壁区，湍动能方程中的压力-膨胀项和压力-速度相关项仍是不可忽略的量，这导致声的产生和可压缩效应对湍流的发展所产生的抑制作用。