Palladium-catalyzed regioselective arylation of imidazo[1,2-b][1,2,4]triazine: synthesis of an alpha 2/3-selective GABA agonist

A convergent, practical, and efficient synthesis of 2',6-difluoro-5'-[3-(1-hydroxy-1-methylethyl)imidazo[1,2-b][1,2,4]triazin-7-yl]biphenyl-2-carbonitrile (1), an orally active GABA(A) alpha(2/3)-selective agonist, is described. The seven-step, chromatography-free synthesis was demonstrated on a multi-kilogram scale and utilized biaryl bromide 6 and imidazotriazine 22 as key intermediates. Biaryl bromide 6 was prepared via a highly selective aromatic bromination. The regioselective condensation of aminotriazine 15 with chloroacetaldehyde provided the desired imidazotriazine intermediate 22. A highly regioselective palladium-catalyzed arylation in the final step highlights the efficiency of the route.     

Ultralow emittance, multi-MeV proton beams from a laser virtual-cathode plasma accelerator

The laminarity of high-current multi-MeV proton beams produced by irradiating thin metallic foils with ultraintense lasers has been measured. For proton energies >10 MeV, the transverse and longitudinal emittance are, respectively, <0.004 mm mrad and <10(-4) eV s, i.e., at least 100-fold and may be as much as 10(4)-fold better than conventional accelerator beams. The fast acceleration being electrostatic from an initially cold surface, only collisions with the accelerating fast electrons appear to limit the beam laminarity. The ion beam source size is measured to be <15 microm (FWHM) for proton energies >10 MeV.     

Evidence of the key role of metal-molecule bonding in metal-molecule-metal transport experiments

The transport properties of two oligothiophene derivatives, that differ only by the chemical group coupling to gold, are compared. It is shown that the role of the coupling group in the transport properties can be decoupled from that of the conjugated body of the molecules and that Se is a better electronic coupling group than S. These results are accounted for semiquantitatively within the frame of the scattering theory of transport, using results from ultraviolet photoemission spectroscopy experiments as inputs for the position in energy of the molecular orbitals with respect to the Fermi level of the electrodes.     

Sound-field reproduction in-room using optimal control techniques: simulations in the frequency domain

This paper describes the simulations and results obtained when applying optimal control to progressive sound-field reproduction (mainly for audio applications) over an area using multiple monopole loudspeakers. The model simulates a reproduction system that operates either in free field or in a closed space approaching a typical listening room, and is based on optimal control in the frequency domain. This rather simple approach is chosen for the purpose of physical investigation, especially in terms of sensing microphones and reproduction loudspeakers configurations. Other issues of interest concern the comparison with wave-field synthesis and the control mechanisms. The results suggest that in-room reproduction of sound field using active control can be achieved with a residual normalized squared error significantly lower than open-loop wave-field synthesis in the same situation. Active reproduction techniques have the advantage of automatically compensating for the room's natural dynamics. For the considered cases, the simulations show that optimal control results are not sensitive (in terms of reproduction error) to wall absorption in the reproduction room. A special surrounding configuration of sensors is introduced for a sensor-free listening area in free field.     

Experiments in mixed-integer linear programming

This paper presents a branch and bound method for solving mixed integer linear programming problems. After briefly discussing the bases of the method, new concepts called pseudo-costs and estimations are introduced. Then, the heuristic rules for generating the tree, which are the main features of the method, are presented. Numerous parameters allow the user for adjusting the search strategy to a given problem.This method has been implemented in the IBM Extended Mathematical Programming System in order to solve large mixed integer L. P. problems. Numerical results making comparisons between different choices of rules are provided and discussed.This paper was presented at the 7th Mathematical Programming Symposium The Hague, The Netherlands.     

Alloying effects on the optical absorption edge of glow-discharge a-Si1-xGex: H

The absorption edge of glow-discharge a-Si_1-xGe_x: H alloys with Ge concentrations varying from 0 to 38% is determined from optical and photoconductivity measurements. The alloying effects on the band edges and the density of localized states in the pseudo-gap are discussed in relation with modifications of the photoconduction response.     

Experimental contribution to the relaxation problem on the (100) and (110) surfaces of aluminum by LEED data reduction

It is shown that low-energy electron diffraction intensities off crystal surfaces can, despite their apparent complexity, be fully understood with such simple and familiar concepts as Bragg reflections, zero-angle scattering phase shifts, electron penetration depth, and intdermediate beams in multiple scattering. Our emphasis is on direct physical understanding rather than on calculational methods.     

The efficient solution of large-scale linear programming problems—some algorithmic techniques and computational results

First, this paper presents the results of experiments with algorithmic techniques for efficiently solving medium and large scale linear and mixed integer programming problems. The techniques presented here are either original or recent.The solution of a great number of problems has shown that efficient problem solving requires automatic adaptation of algorithmic techniques upon problem characteristics. We show when a given technique should be used for a particular problem.The last part of this paper describes an attempt to provide a powerful mathematical programming language, allowing an easy programming of specific studies on medium-size models such as the recursive use of LP or the build-up of algorithms based on the simplex method.All these features have been implemented in the IBM Mathematical Programming System, MPSX/370, and its feature MIP/370. Extensive numerical results and comparisons on real-life problems are provided and commented upon.Presented at the IXth International Symposium on Mathematical Programming in Budapest (1976).