On the Stirling numbers associated with the meromorphic Weyl algebra

The generalized Stirling numbers introduced recently (Mansour and Schork, 2011 [5], Mansour et al., 2011 [6]) are considered in detail for the particular case $s=2$ corresponding to the meromorphic Weyl algebra. A combinatorial interpretation in terms of perfect matchings is given for these meromorphic Stirling numbers and the connection to Bessel functions is discussed. Furthermore, two related $q$-polynomial identities are derived.     

A parallel algorithm for two-staged two-dimensional fixed-orientation cutting problems

In this paper, we study the two-staged two-dimensional fixed-orientation cutting problem. We investigate the use of the parallel beam search algorithm for approximately solving the problem. The beam-search can be viewed as a truncated tree-search in which a subset of generated nodes are investigated. The proposed approach tries to explore some of these nodes in parallel by applying a master-slave paradigm. The master processor serves to guide the search-resolution by using a best-first search strategy for selecting the successive sets of nodes, called elite nodes. Whereas each slave processor develops the search tree and updates the global list of the master processor in an asynchronous manner. Each processor is based on combining a partial lower bound and a complementary upper bound, obtained by solving a series of bounded knapsack problems. The proposed method is analyzed computationally on a set of benchmark instances of the literature and their results are compared to those provided by existing algorithms. Encouraging and new results have been obtained.     

Opto-electronic properties and molecular design of new materials based on pyrrole studied by DFT

In this work, we investigate oligopyrroles and derivatives, which serve as models for corresponding polymers. In order to discuss these materials, we carried out DFT calculations and used DFT methods to calculate ground state electronic structures. We are particularly interested in exploring the potential of several substituent groups as electron donors with numerous ties to electronic materials by exploring and comparing the energies of HOMO, LUMO, Gap energies, and structural properties. Results are discussed in comparison with the properties of the doped oligomers. The theoretical ground-state geometry and electronic structure of the studied molecules were obtained by the DFT method at B3LYP level with 6-31G(d) basis set. The opto-electronic properties of these materials were determined by ZINDO/s and TD//B3LYP/6-31G(d) calculations performed on the B3LYP/6-31(d) optimized geometries. The results of this study demonstrate how electronic properties can be tuned by the backbone ring or side group and suggest these compounds as good candidates for opto-electronic applications.     

Characteristics of flow from an oxy-fuel burner with separated jets: influence of jet injection angle

This paper presents an experimental study of flow development and structure on a separated jet burner in reacting and non-reacting flows. Effects of deflection jets in an aligned configuration of three round jets are emphasized. The idea is based on the confinement of a central jet of fuel by two side jets of oxygen to improve mixing, to control flame stability, and to reduce pollutant emissions. The fields of mean velocity and fluctuation intensity were measured using Particle Image Velocimetry. The deflection of jets has a considerable effect on the dynamic behavior and on the flame characteristics. Results showed that the deflection of jets favors mixing and accelerates merging and combining of jets to a single one. Measurements in reacting flow showed a high influence of combustion on dynamic fields. Compared to non-reactive case, in combustion, larger radial expansion and higher velocity were observed, particularly, above the stabilization point of the flame.     

Bridge effect on the charge transfer and optoelectronic properties of triphenylamine-based organic dye sensitized solar cells: theoretical approach

Research on Chemical Intermediates - In this work, a series of six organic dyes-sensitized solar cells (DSSCs) combining various π-bridges with a fixed donor (triphenylamine) and a fixed...     

Convective heat transfer performance of hybrid nanofluid in a horizontal pipe considering nanoparticles shapes effect

Journal of Thermal Analysis and Calorimetry - In the present paper, the first and second laws of thermodynamics are utilized to select the optimized position of porous insert to achieve maximum...     

Molecular docking,ADME/Tox prediction,and in vitro study of the cell growth inhibitory activity of five β-carboline alkaloids

Structural Chemistry - In a continuing effort to find new cytotoxic, antitumor, and less toxic agents from β-carbolines derivatives, using experimental and computational studies, five...     

Restricted 123-avoiding Baxter permutations and the Padovan numbers

Baxter studied a particular class of permutations by considering fixed points of the composite of commuting functions. This class is called Baxter permutations. In this paper we investigate the number of 123-avoiding Baxter permutations of length n that also avoid (or contain a prescribed number of occurrences of) another certain pattern of length k. In several interesting cases the generating function depends only on k and is expressed via the generating function for the Padovan numbers.