DALiuGE: A Graph Execution Framework for Harnessing the Astronomical Data Deluge

The Data Activated Liu Graph Engine - DALiuGE - is an execution framework for processing large astronomical datasets at a scale required by the Square Kilometre Array Phase 1 (SKA1). It includes an interface for expressing complex data reduction pipelines consisting of both data sets and algorithmic components and an implementation run-time to execute such pipelines on distributed resources. By mapping the logical view of a pipeline to its physical realisation, DALiuGE separates the concerns of multiple stakeholders, allowing them to collectively optimise large-scale data processing solutions in a coherent manner. The execution in DALiuGE is data-activated, where each individual data item autonomously triggers the processing on itself. Such decentralisation also makes the execution framework very scalable and flexible, supporting pipeline sizes ranging from less than ten tasks running on a laptop to tens of millions of concurrent tasks on the second fastest supercomputer in the world. DALiuGE has been used in production for reducing interferometry data sets from the Karl E. Jansky Very Large Array and the Mingantu Ultrawide Spectral Radioheliograph; and is being developed as the execution framework prototype for the Science Data Processor (SDP) consortium of the Square Kilometre Array (SKA) telescope. This paper presents a technical overview of DALiuGE and discusses case studies from the CHILES and MUSER projects that use DALiuGE to execute production pipelines. In a companion paper, we provide in-depth analysis of DALiuGE's scalability to very large numbers of tasks on two supercomputing facilities.Comment: 31 pages, 12 figures, currently under review by Astronomy and Computin

IVOA Recommendation: Simple Spectral Access Protocol Version 1.1

The Simple Spectral Access (SSA) Protocol (SSAP) defines a uniform interface to remotely discover and access one dimensional spectra. SSA is a member of an integrated family of data access interfaces altogether comprising the Data Access Layer (DAL) of the IVOA. SSA is based on a more general data model capable of describing most tabular spectrophotometric data, including time series and spectral energy distributions (SEDs) as well as 1-D spectra; however the scope of the SSA interface as specified in this document is limited to simple 1-D spectra, including simple aggregations of 1-D spectra. The form of the SSA interface is simple: clients first query the global resource registry to find services of interest and then issue a data discovery query to selected services to determine what relevant data is available from each service; the candidate datasets available are described uniformly in a VOTable format document which is returned in response to the query. Finally, the client may retrieve selected datasets for analysis. Spectrum datasets returned by an SSA spectrum service may be either precomputed, archival datasets, or they may be virtual data which is computed on the fly to respond to a client request. Spectrum datasets may conform to a standard data model defined by SSA, or may be native spectra with custom project-defined content. Spectra may be returned in any of a number of standard data formats. Spectral data is generally stored externally to the VO in a format specific to each spectral data collection; currently there is no standard way to represent astronomical spectra, and virtually every project does it differently. Hence spectra may be actively mediated to the standard SSA-defined data model at access time by the service, so that client analysis programs do not have to be familiar with the idiosyncratic details of each data collection to be accessed

8-amino-6-methoxyquinoline-tetrazole hybrids: Impact of linkers on antiplasmodial activity

A new series of compounds was prepared from 6-methoxyquinolin-8-amine or its N-(2-aminoethyl) analogue via Ugi-azide reaction. Their linkers between the quinoline and the tert-butyltetrazole moieties differ in chain length, basicity and substitution. Compounds were tested for their antiplasmodial activity against Plasmodium falciparum NF54 as well as their cytotoxicity against L-6-cells. The activity and the cytotoxicity were strongly influenced by the linker and its substitution. The most active compounds showed good activity and promising selectivity

Synthesis and antiprotozoal activity of azabicyclo-nonane pyrimidine hybrids

2,4-Diaminopyrimidines and (dialkylamino)azabicyclo-nonanes possess activity against protozoan parasites. A series of fused hybrids were synthesized and tested in vitro against pathogens of malaria tropica and sleeping sickness. The activities and selectivities of compounds strongly depended on the substitution pattern of both ring systems as well as on the position of the nitrogen atom in the bicycles. The most promising hybrids of 3-azabicyclo-nonane with 2-aminopyrimidine showed activity against P. falciparum NF54 in submicromolar concentration and high selectivity. A hybrid with pyrrolidino substitution of the 2-azabicyclo-nonane as well as of the pyrimidine moiety exhibited promising activity against the multiresistant K1 strain of P. falciparum. A couple of hybrids of 2-azabicyclo-nonanes with 2-(dialkylamino)pyrimidines possessed high activity against Trypanosoma brucei rhodesiense STIB900 and good selectivity

VOFilter, Bridging Virtual Observatory and Industrial Office Applications

VOFilter is an XML based filter developed by the Chinese Virtual Observatory project to transform tabular data files from VOTable format into OpenDocument format. VOTable is an XML format defined for the exchange of tabular data in the context of the Virtual Observatory (VO). It is the first Proposed Recommendation defined by International Virtual Observatory Alliance, and has obtained wide support from both the VO community and many Astronomy projects. OpenOffice.org is a mature, open source, front office applications suite with the advantage of native support of industrial standard OpenDocument XML file format. Using the VOFilter, VOTable files can be loaded in OpenOffice.org Calc, a spreadsheet application, and then displayed and analyzed as other spreadsheet files. Here, the VOFilter acts as a connector, bridging the coming VO with current industrial office applications. Virtual Observatory and technical background of the VOFilter are introduced. Its workflow, installation and usage are presented. Existing problems and limitations are also discussed together with the future development plans.Comment: Accepted for publication in ChJAA (9 pages, 2 figures, 185KB

New acyl derivatives of 3-aminofurazanes and their antiplasmodial activities

An N-acylated furazan-3-amine of a Medicines for Malaria Venture (MMV) project has shown activity against different strains of Plasmodium falciparum. Seventeen new derivatives were prepared and tested in vitro for their activities against blood stages of two strains of Plasmodium falciparum. Several structure-activity relationships were revealed. The activity strongly depended on the nature of the acyl moiety. Only benzamides showed promising activity. The substitution pattern of their phenyl ring affected the activity and the cytotoxicity of compounds. In addition, physicochemical parameters were calculated (log P, log D, ligand efficiency) or determined experimentally (permeability) via a PAMPA. The N-(4-(3,4-diethoxyphenyl)-1,2,5-oxadiazol-3-yl)-3-(trifluoromethyl)benzamide possessed good physicochemical properties and showed high antiplasmodial activity against a chloroquine-sensitive strain (IC50(NF54) = 0.019 microM) and even higher antiplasmodial activity against a multiresistant strain (IC50(K1) = 0.007 microM). Compared to the MMV compound, the permeability and the activity against the multiresistant strain were improved

Low-Frequency Noise and Microplasma Analysis for c-Si Solar Cell Characterization

This paper brings the comparison of solar cell conversion efficiency and results from a noise spectroscopy and microplasma presence to evaluate the solar cell technology. Three sets of monocrystalline silicon solar cells (c-Si) varying in front side phosphorus doped emitters were produced by standard screen-printing technique. From the measurements it follows that the noise spectral density related to defects is of 1/f type and its magnitude. It has been established that samples showing low noise feature high-conversion efficiency. The best results were reached for a group solar cells with selective emitter structure prepared by double-phosphorus diffusion process

New derivatives of the multi-stage active Malaria Box compound MMV030666 and their antiplasmodial potencies

MMV's Malaria Box compound MMV030666 shows multi-stage activity against various strains of Plasmodium falciparum and lacks resistance development. To evaluate the importance of its diarylether partial structure, diarylthioethers and diphenylamines with varying substitution patterns were prepared. A number of evident structure-activity relationships were revealed. Physicochemical and pharmacokinetic parameters were determined experimentally (passive permeability) or calculated. Compared to the lead compound a diarylthioether was more active and less cytotoxic resulting in an excellent selectivity index of 850. In addition, pharmacokinetic and physicochemical parameters were improved

New 2‑aminopyrimidine derivatives and their antitrypanosomal and antiplasmodial activities

Novel 2-aminopyrimidine derivatives were prepared from acyclic starting materials, benzylidene acetones and ammonium thiocyanates, via 5 steps, including ring closure, aromatization, S-methylation, oxidation to methylsulfonyl compounds, and formation of guanidines with suitable amines. The prepared compounds differ from each other by the substitutions of their amino group and of their phenyl ring. The 2-aminopyrimidines were tested by use of microplate assays for their in vitro activities against a causative organism of sleeping sickness, Trypanosoma brucei rhodesiense, as well as against a causative organism of malaria, Plasmodium falciparum NF54. Their cytotoxic properties were determined with L-6 cells (rat skeletal myoblasts). Some of the compounds exhibited quite good antitrypanosomal activity, and others showed excellent antiplasmodial activity. The influence of the structural modifications on these activities is discussed