Energy dependence of directed flow over a wide range of pseudorapidity in Au + Au collisions at the BNL Relativistic Heavy Ion Collider

We report on measurements of directed flow as a function of pseudorapidity in Au + Au collisions at energies of square root of SNN = 19.6, 62.4, 130 and 200 GeV as measured by the PHOBOS detector at the BNL Relativistic Heavy Ion Collider. These results are particularly valuable because of the extensive, continuous pseudorapidity coverage of the PHOBOS detector. There is no significant indication of structure near midrapidity and the data surprisingly exhibit extended longitudinal scaling similar to that seen for elliptic flow and charged particle pseudorapidity density.     

Anthralin: primary products of its redox reactions

One-electron reduction significantly enhances the ability of anthralin, 1, to act as a hydrogen atom donor. On annealing of an MTHF glass in which the radical anion of anthralin, 1*-, is generated radiolytically, this species decays mainly by loss of H* to give the anthralyl anion, 2- . On the other hand, radicals formed on radiolysis of matrices that are suitable for the generation of radical anions or cations are capable to abstract H* from anthralin to give the anthralyl radical, 2* . Both 2- and 2* are obtained simultaneously by mesolytic cleavage of the radical anion of the anthralin dimer. Contrary to general assumptions, the anthralyl radical is found to be much more reactive toward oxygen than the anion. All intermediates are characterized spectroscopically and by reference to quantum chemical calculations. Attempts to generate the radical cation of anthralin by X-irradiation of an Ar matrix containing anthralin led also to significant formation of its radical anion, i.e., anthralin acts apparently as an efficient electron trap in such experiments.     

Investigation of the mechanism of the intramolecular Scholl reaction of contiguous phenylbenzenes

Two mechanisms of the Scholl reaction were investigated in the series 1, 2, ..., n-oligophenylbenzenes (n = 2, 3, 4, 6) at the B3LYP/6-31G(d) level of theory. A mechanism involving generation of a radical cation followed by C-C bond formation and dehydrogenation is unlikely on the basis of unfavorable energies of activation. A mechanism involving generation of an arenium cation followed by C-C bond formation and dehydrogenation is energetically feasible. An explanation for the facile polycondensation of hexaphenylbenzene to hexa-peri-hexabenzocoronene, where six new aryl-aryl bonds are formed, is provided. Kinetic simulations based on the calculated activation energies of the arenium cation mechanism predict that intermediates will not accumulate; this is supported by mass balance experiments. Reaction optimization studies suggest that PhI(O2CCF3)2/BF3.OEt2 or MoCl5 are superior to FeCl3 or AlCl3/CuCl2. This is a full account of our work reported partially as a communication previously (Rempala, P.; Kroulík, J.; King, B. T. J. Am. Chem. Soc. 2004, 126, 15002-15003).     

An empirical analysis of the optimality rate of flow shop heuristics

If a certain optimization problem is NP-hard or even harder, one could expect that the chances of solving it optimally should rather decrease with an increase of the problem size. We reveal, however, that the opposite occurs for a strongly NP-hard problem, which requires sequencing n jobs through an m machine flow shop so as to minimize the makespan. In particular, we empirically examine optimality rates (the probability of being optimal) of the famous NEH heuristic of Nawaz et al. [Nawaz, M., Enscore, Jr., E., Ham, I., 1983. A heuristic algorithm for the m-machine, n-job flow-shop sequencing problem. Omega, The International Journal of Management Science 11, 91–95] and two improved versions of NEH. By using millions of simulation trials and a new effective lower bound on the shortest makespan, we observe relatively high optimality rates of the three heuristics for small values of m. Rather surprisingly, for larger values of n, the heuristics become more frequently optimal as n increases. Neither theoretical nor empirical studies of optimality rates of flow shop heuristics have been conducted so far, and – to the best of our knowledge – no similar studies are known in the field of operations research.     

Pyrazoloquinolines – alternative chromophores for organic LED fabrication

In this paper the synthesis of some new chromophores which could be used in polymer/organic LED fabrication are presented. All of them are pyrazoloquinoline (PAQ) derivatives. Their emission properties were tuned by side group substitution. They were characterized by absorption and photoemission spectroscopy. Some were used, dispersed in poly(N-vinylcarbazole) (PVK) matrix, as the emissive layer in LED structures.