A general and scalable solution for heterogeneous workflow invocation and nesting

Several widely utilized, grid workflow management systems emerged in the last decade. These systems were developed by different scientific communities for various purposes. Enhancing these systems with the capability of invoking and nesting the workflows of other systems within their native workflows makes these communities to be able to carry out cross-organizational experiments and share non-native workflows. The novel solution described in this paper allows the integration of different workflow engines and makes them accessible for workflow systems in order to achieve this goal. The solution is based on an application repository and submitter, which exposes different workflow engines and executes them using the computational resources of the grid. In contrast with other approaches, our solution is scalable in terms of both number of workflows and amount of data, easily extendable in the sense that the integration of a new workflow engine does not require code re-engineering, and general, since it can be adopted by numerous workflow systems

Genetically discrete populations of Trypanosoma congolense from livestock on the Kenyan coast

Twenty-seven stocks of Nannomonas trypanosomes isolated from livestock in 1982 on a ranch at Kilifi on the Kenyan coast were characterized by isoenzyme electrophoresis and by the abilities of the parasite's DNA to hybridize to two repetitive sequence DNA probes. Allthe Kilifi stocks which were examined had isoenzyme patterns which were markedly different from the 75 patterns previously described from 78 stocks of Trypanosoma congolense. On average only 15% of the enzyme bands present in the Kilifi stocks were present in those stocks of T. congolense which had previously been surveyed for isoenzymes. The DNA from all the Kilifi stocks which had been examined for isoenzymes hybridized with only the repetitive sequence probe isolated from a clone of a Kilifi stock. In contrast, the DNA from all 27 Kilifi stocks failed to hybridize with a repetitive sequence probe isolated from a clone from a different stock of T. congolense. Thus, the trypanosomes in all the Kilifi stocks examined were both phenotypically and genotypically discrete. These genetically discrete trypanosomes have also been detected in 2 stocks isolated from livestock from another location on the Kenyan coast. The results show that there is a wide range of genetic heterogeneity within the trypanosomes currently classified as T. congolense. We suggest that the limits of this genetic heterogeneity could represent incipient speciatio

Two interacting diffusing particles on low-dimensional discrete structures

In this paper we study the motion of two particles diffusing on low-dimensional discrete structures in presence of a hard-core repulsive interaction. We show that the problem can be mapped in two decoupled problems of single particles diffusing on different graphs by a transformation we call 'diffusion graph transform'. This technique is applied to study two specific cases: the narrow comb and the ladder lattice. We focus on the determination of the long time probabilities for the contact between particles and their reciprocal crossing. We also obtain the mean square dispersion of the particles in the case of the narrow comb lattice. The case of a sticking potential and of 'vicious' particles are discussed.Comment: 9 pages, 6 postscript figures, to appear in 'Journal of Physics A',-January 200

p-species integrable reaction-diffusion processes

We consider a process in which there are p-species of particles, i.e. A_1,A_2,...,A_p, on an infinite one-dimensional lattice. Each particle $A_i$ can diffuse to its right neighboring site with rate $D_i$, if this site is not already occupied. Also they have the exchange interaction A_j+A_i --> A_i+A_j with rate $r_{ij}.$ We study the range of parameters (interactions) for which the model is integrable. The wavefunctions of this multi--parameter family of integrable models are found. We also extend the 2--species model to the case in which the particles are able to diffuse to their right or left neighboring sites.Comment: 16 pages, LaTe

Hexacoordinated tin complexes catalyse imine hydrogenation with H2

Impact Factor (IF) 2023 (2024 update): 4.3Fil: Žáková, Andrea. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Saha, Pritha. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Paparakis, Alexandros. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Zábranský, Martin. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Gastelu, Gabriela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Química Orgánica; Argentina.Fil: Gastelu, Gabriela. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química Córdoba; Argentina.Fil: Kukla, Jaroslav. University Prague. Faculty of Science Charles. Institute of Environmental Studies; Czech Republic.Fil: Uranga, Jorge G. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; Argentina.Fil: Uranga, Jorge G. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química Córdoba; Argentina.Fil: Hulla, Martin. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Frustrated Lewis pair (FLP) hydrogenation catalysts predominantly use alkyl- and aryl-substituted Lewis acids (LA) that offer a limited number of combinations of substituents, limiting our ability to tune their properties and, ultimately, their reactivity. Nevertheless, main-group complexes have numerous ligands available for such purposes, which could enable us to broaden the range of FLP catalysis. Supporting this hypothesis, we demonstrate here that hexacoordinated tin complexes with Schiff base ligands catalyse imine hydrogenation via activation of H2(g). As shown by hydrogen–deuterium scrambling, [Sn(tBu2Salen)(OTf)2] activated H2(g) at 25 °C and 10 bar of H2. After tuning the ligands, we found that [Sn(Salen)Cl2] was the most efficient imine hydrogenation catalyst despite having the lowest activity in H2(g) activation. Moreover, various imines were hydrogenated in yields up to 98% thereby opening up opportunities for developing novel FLP hydrogenation catalysts based on hexacoordinated LA of main-group elements.info:eu-repo/semantics/publishedVersionFil: Žáková, Andrea. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Saha, Pritha. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Paparakis, Alexandros. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Zábranský, Martin. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic.Fil: Gastelu, Gabriela. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Departamento de Química Orgánica; Argentina.Fil: Gastelu, Gabriela. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química Córdoba; Argentina.Fil: Kukla, Jaroslav. University Prague. Faculty of Science Charles. Institute of Environmental Studies; Czech Republic.Fil: Uranga, Jorge G. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas; Argentina.Fil: Uranga, Jorge G. Consejo Nacional de Investigaciones Científicas y Técnicas. Instituto de Investigaciones en Físico-Química Córdoba; Argentina.Fil: Hulla, Martin. University Prague. Faculty of Science. Charles Department of Inorganic Chemistry; Czech Republic

Comparing the Costs and Acceptability of Three Fidelity Assessment Methods for Assertive Community Treatment

Successful implementation of evidence-based practices requires valid, yet practical fidelity monitoring. This study compared the costs and acceptability of three fidelity assessment methods: on-site, phone, and expert-scored self-report. Thirty-two randomly selected VA mental health intensive case management teams completed all fidelity assessments using a standardized scale and provided feedback on each. Personnel and travel costs across the three methods were compared for statistical differences. Both phone and expert-scored self-report methods demonstrated significantly lower costs than on-site assessments, even when excluding travel costs. However, participants preferred on-site assessments. Remote fidelity assessments hold promise in monitoring large scale program fidelity with limited resources

An interacting spin flip model for one-dimensional proton conduction

A discrete asymmetric exclusion process (ASEP) is developed to model proton conduction along one-dimensional water wires. Each lattice site represents a water molecule that can be in only one of three states; protonated, left-pointing, and right-pointing. Only a right(left)-pointing water can accept a proton from its left(right). Results of asymptotic mean field analysis and Monte-Carlo simulations for the three-species, open boundary exclusion model are presented and compared. The mean field results for the steady-state proton current suggest a number of regimes analogous to the low and maximal current phases found in the single species ASEP [B. Derrida, Physics Reports, {\bf 301}, 65-83, (1998)]. We find that the mean field results are accurate (compared with lattice Monte-Carlo simulations) only in the certain regimes. Refinements and extensions including more elaborate forces and pore defects are also discussed.Comment: 13pp, 6 fig

Exact time-dependent correlation functions for the symmetric exclusion process with open boundary

As a simple model for single-file diffusion of hard core particles we investigate the one-dimensional symmetric exclusion process. We consider an open semi-infinite system where one end is coupled to an external reservoir of constant density $\rho^\ast$ and which initially is in an non-equilibrium state with bulk density $\rho_0$. We calculate the exact time-dependent two-point density correlation function $C_{k,l}(t)\equiv -$ and the mean and variance of the integrated average net flux of particles $N(t)-N(0)$ that have entered (or left) the system up to time $t$. We find that the boundary region of the semi-infinite relaxing system is in a state similar to the bulk state of a finite stationary system driven by a boundary gradient. The symmetric exclusion model provides a rare example where such behavior can be proved rigorously on the level of equal-time two-point correlation functions. Some implications for the relaxational dynamics of entangled polymers and for single-file diffusion in colloidal systems are discussed.Comment: 11 pages, uses REVTEX, 2 figures. Minor typos corrected and reference 17 adde

Asymmetric exclusion process with next-nearest-neighbor interaction: some comments on traffic flow and a nonequilibrium reentrance transition

We study the steady-state behavior of a driven non-equilibrium lattice gas of hard-core particles with next-nearest-neighbor interaction. We calculate the exact stationary distribution of the periodic system and for a particular line in the phase diagram of the system with open boundaries where particles can enter and leave the system. For repulsive interactions the dynamics can be interpreted as a two-speed model for traffic flow. The exact stationary distribution of the periodic continuous-time system turns out to coincide with that of the asymmetric exclusion process (ASEP) with discrete-time parallel update. However, unlike in the (single-speed) ASEP, the exact flow diagram for the two-speed model resembles in some important features the flow diagram of real traffic. The stationary phase diagram of the open system obtained from Monte Carlo simulations can be understood in terms of a shock moving through the system and an overfeeding effect at the boundaries, thus confirming theoretical predictions of a recently developed general theory of boundary-induced phase transitions. In the case of attractive interaction we observe an unexpected reentrance transition due to boundary effects.Comment: 12 pages, Revtex, 7 figure