Electronic structure of graphite

Semi-empirical calculations of the π-band structure of planar and three-dimensional graphite are described. Special attention is given to the significance of band parameters. The theoretical results are in good agreement with experiment.     

A combinatorial approach toward the generation of ambiphilic peptide-based inhibitors of protein:geranylgeranyl transferase-1

A combinatorial synthesis of oligopeptide analogues and their evaluation as protein:geranylgeranyl transferase inhibitors is presented. The combinatorial strategy is based on the random mutation, in each new generation, of one of any of the four amino acid building blocks of which the most effective compounds of the previous generation are assembled. In this way, a progressive improvement of the average inhibitory activity was observed until the fifth generation. The most active inhibitors were found to inhibit PGGT-1 in the low micromolar range (IC(50): 3.8-8.1 microM).     

Polymeric silver(I) coordination tubes

Isolated polymeric Ag(I) coordination tubes are self-assembled from the rigid triamino ligands cis,cis-1,3,5-triaminocyclohexane (cis-tach) and cis,trans-1,3,5-triaminocyclohexane (trans-tach), forming two topologically equivalent framework motifs.     

General one-pot, three-step methodology leading to an extended class of N-heterocyclic cations: spontaneous nucleophilic addition, cyclization, and hydride loss

A new class of phenanthridinium derivative has been isolated from the reaction of 2-bromoethyl-phenanthridinium bromide with a range of primary amines in excellent yields. The reaction pathway is unprecedented and proceeds via three cascade steps: nucleophilic attack of a primary amine on the iminium moiety of a heteroaromatic ring system and cyclization to form a five-membered ring, followed by hydride loss to yield a rearomatized dihydro-1H-imidazo[1,2-f]phenanthridinium derivative. A range of NMR phase transfer experiments were carried out to elucidate the mechanistic pathway, and the methodology has been further developed by means of a biphasic system using N-bromosuccinimide as a co-oxidizing agent. The method has also been extended to other N-heterocyclic cation derivatives such as quinolinium and quinazolinium.     

A theoretical study of special acoustic effects caused by the staircase of the El Castillo pyramid at the Maya ruins of Chichen-Itza in Mexico

It is known that a handclap in front of the stairs of the great pyramid of Chichen Itza produces a chirp echo which sounds more or less like the sound of a Quetzal bird. The present work describes precise diffraction simulations and attempts to answer the critical question what physical effects cause the formation of the chirp echo. Comparison is made with experimental results obtained from David Lubman. Numerical simulations show that the echo shows a strong dependence on the kind of incident sound. Simulations are performed for a (delta function like) pulse and also for a real handclap. The effect of reflections on the ground in front of the pyramid is also discussed. The present work also explains why an observer seated on the lowest step of the pyramid hears the sound of raindrops falling in a water filled bucket instead of footstep sounds when people, situated higher up the pyramid, climb the stairs.     

The representation of 3D gaussian beams by means of inhomogeneous waves

There are different methods to mathematically represent a bounded beam. Perhaps the most famous method is the classical Fourier method that consists of the superposition of pure homogeneous plane waves all traveling in different directions and having an amplitude that can be found by the Fourier transform of the required profile. This method works perfectly for 2D as well as for 3D bounded beams. However, some researchers prefer the inhomogeneous wave theory to represent a bounded beam because some phenomena, e.g. the Schoch effect, are explained by this method by means of concepts that agree better with intuition. There are several papers dealing with this method for 2D gaussian beams. Until now, it has never been considered possible to represent 3D gaussian beams as well. The present paper shows a method to overcome this shortcoming and presents different sorts of 3D gaussian beams that are built up by means of inhomogeneous plane waves.     

The reflection of bounded inhomogeneous waves on a liquid/solid interface

Fourier analysis and normal mode theory are used to describe the reflection of bounded inhomogeneous waves on a liquid/solid interface. Nonspecular reflection phenomena in the Rayleigh angle are studied in detail. In this way, an explanation is given for the Rayleigh dip phenomenon for positive inhomogeneity factors and the related result of a reflection coefficient larger than unity when the sign of the inhomogeneity factor is reversed. In the limit of large beamwidths, the reflection coefficient predicted by the infinite plane inhomogeneous wave theory is obtained. These results are entirely consistent with the experimental work published by Deschamps [J. Acoust. Soc. Am. 96, 2841-2848 (1994)]. The energy efficiency of Rayleigh wave excitation is investigated as well. It is shown that for large beamwidths, the energy efficiency for bounded inhomogeneous waves is considerably higher in comparison with Gaussian and square-profiled beams.     

Extension of the mode method for viscoelastic media and focused ultrasonic beams

In the present study viscoelasticity is introduced in the mode model and the orthogonality condition is adapted for viscous media. The expansion of convergent acoustic Gaussian beams in terms of radiation modes for viscoelastic media is studied as well. The effects on the reflected and transmitted profiles of acoustic beams incident from an ideal liquid onto a viscoelastic plate are shown and physically explained. It is shown that focusing the incident beam can suppress divergence effects and gives the possibility to measure shear wave attenuation coefficients.     

Collinear acousto-optic diffraction using two nearby sound frequencies

Collinear acousto-optic spectrometers with sound consisting of one frequency have a spectral transfer function with many good characteristics, such as a narrow bandwidth, ... the side lobes, however, are rather high. To reduce these side lobes, one can try to apodize the sound in the acousto-optic cell by using a sound wave consisting out of two frequencies. At certain times, this produces a more smoothened sound field in the cell than in the one-frequency case. The resulting transfer function will contain lower side lobes. Also, the influence of all the sound field parameters--the amplitude, frequency difference, and time--on the transmission function is studied. Out of these results, better-performing collinear spectrometers can be designed.