The coupled-cluster method in high sectors of the Fock space

The coupled-cluster method is applied to high sectors of the Fock space (up to five electrons outside a closed shell). Ionization potentials and excitation energies are calculated for atomic N, O, F, P, and S and their ions. The effect of virtual triple excitations is included, exactly or at several levels of appoximation. These terms are important for accurate results in the high sectors. © 1995 John Wiley & Sons, Inc.     

Fundamental symmetries and precision measurements on trapped particles

The tests of fundamental symmetries (CPT symmetry and the equivalence principle for antiparticles) that can be deduced from high-precision frequency measurements on trapped particles are reviewed.     

Analogs of renormalization group transformations in random processes

We review the properties of a real-space renormalization group transformation of the free energy, including the existence of oscillatory terms multiplying the non-analytic part of the free energy. We then construct stochastic processes which incorporate into probability distributions the features of the free energy scaling equation. (The essential information is obtainable from the scaling equation and a direct solution for a probability is not necessary.) These random processes are shown to be generated directly from Cantor sets. In a spatial representation, the ensuing random process exhibits a transition between Gaussian and fractal behavior. In the fractal regime, the trajectories will, in an average sense, form self-similar clusters. In a temporal representation, the random process exhibits a transition between an asymptotically constant renewal rate and fractal behavior. The fractal regime represents a frozen state with only transient effects allowed and is related to charge transport in glasses.     

Quaternary adamantine selenides and tellurides of the form I III IV VI4

The preparation of a range of polycrystalline Selenides and Tellurides of the form I III IV VI₄ was undertaken. Twelve Selenides with quaternary composition were prepared but the eight Tellurides attempted did not grow as quaternaries. Single crystal samples of CuGaSnSe₄ were grown by vapour transport. X-Ray powder photography confirmed that the quaternary Selenides have tetragonal Chalcopyrite structure with a c/a ratio of approximately 2. A systematic variation of unit cell volume and of c/a was found over the entire range of compounds grown.     

Gauge fields,BRS symmetry and the Casimir effect

The canonical quantization of the photon field in covariant gauge is studied in the presence of static boundaries, on which the field satisfies either “bag” or superconductor boundary conditions. The inclusion of the Fadeev-Popov ghost fields is found to be essential for agreement with Coulomb gauge calculations of the Casimir energy.     

Enamine carboxylates as stereodetermining intermediates in prolinate catalysis

Experimental and computational studies probing the nature of intermediates in the α-amination of aldehydes catalyzed by prolinate salts support an enamine carboxylate intermediate in the stereodetermining step.     

Unexpected phenol production from arylboronic acids under palladium-free conditions; organocatalyzed air oxidation

An intriguing class of quinones that efficiently catalyze the air oxidation (overall hydroxylation) of arylboronic acids to the corresponding phenol is reported. Autocatalysis in the parent system is particularly efficient and leads to rapid, quantitative synthesis of quinones such as 4 from boronic acid 1 at room temperature using air as stoichiometric oxidant. The efficiency results from a balance between two-stage conjugate addition and migration with each step driven by aromatization of a naphthalene fragment.     

Investigation of dental samples using a 35MHz focussed ultrasound piezocomposite transducer

Dental erosion and decay are increasingly prevalent but as yet there is no quantitative monitoring tool. Such a tool would allow earlier diagnosis and treatment and ultimately the prevention of more serious disease and pain. Despite ultrasound having been demonstrated as a method of probing the internal structures of teeth more than 40 years ago, development of a clinical tool has been slow. The aim of the study reported here was to investigate the use of a novel high frequency ultrasound transducer and validate it using a known dental technique.A tooth extracted for clinical reasons was sectioned to provide a sample that contained an enamel and dentine layer such that the enamel-dentine junction (EDJ) was of a varying depth. The sample was then submerged in water and a B-scan recorded using a custom-designed piezocomposite ultrasound transducer with a centre frequency of 35 MHz and a −6 dB bandwidth of 24 MHz.The transducer has an axial resolution of 180 μm and a spatial resolution of 110 μm, a significant advance on previous work using lower frequencies. The depth of the EDJ was measured from the resulting data set and compared to measurements from the sequential grinding and imaging (SGI) method.The B-scan showed that the EDJ was of varying depth. Subsequently, the EDJ measurements were found to have a correlation of 0.89 (p < 0.01) against the SGI measurements. The results indicate that high frequency ultrasound is capable of measuring enamel thickness to an accuracy of within 10% of the total enamel thickness, whereas currently there is no clinical tool available to measure enamel thickness.     

The marinopyrroles, antibiotics of an unprecedented structure class from a marine Streptomyces sp

Cultivation of an obligate marine Streptomyces strain has furnished the marinopyrroles A and B, densely halogenated, axially chiral metabolites that contain an uncommon bispyrrole structure. X-ray analysis of marinopyrrole B showed that the natural product exists as an atropo-enantiomer with the M-configuration. Though configurationally stable at room temperature, M-(-)-marinopyrrole A can be racemized at elevated temperatures to yield the non-natural P-(+)-atropo-enantiomer. The marinopyrroles possess potent antibiotic activities against methicillin-resistant Staphylococcus aureus.