Δ-isobar contributions to the charge asymmetry of the three-nucleon bound states

Mechanisms of isospin violation in the nuclear force due to the Δ-isobar are studied. They arise from the coupling of the Δ to the photon and from the charge splitting of the Δ-mass. The charge-asymmetry contribution of the Δ to the ³He-³H binding-energy difference is calculated. Cancellations between different mechanisms are found yielding a small total result. The effect of the photon-induced Δ-excitation, traditionally considered, is negligible. The uncertainty in the Δ-mass splitting shows up in a sizeable theoretical uncertainty for the total result.     

Invariant Metrics on G-Spaces

Let X be a G-space such that the orbit space X/G is metrizable. Suppose a family of slices is given at each point of X. We study a construction which associates, under some conditions on the family of slices, with any metric on X/G an invariant metric on X. We show also that a family of slices with the required properties exists for any action of a countable group on a locally compact and locally connected metric space.     

The mass of a bound Δ-isobar

The properties of the Δ -isobar when bound in the nuclear medium are studied. The pionnucleon resonance nature of the Δ -isobar yields self-energy corrections, i.e., an energy- and medium-dependent mass and, above pion-production threshold, an energy- and medium-dependent width. Their importance on nucleon-nucleon scattering, the three-nucleon bound state and nuclear matter are discussed. Other effects arising from the resonance nature of the Δ -isobar are the retardation of the two-body interaction, three-nucleon forces and e.m. exchange currents.     

Debris from comet Halley, comet's mass loss and age

Summary Large particles released from the nucleus of comet Halley, but undetected directly by space probes, seem to affect decisively the mass loss and mass determination of the comet, and consequently its aging. Simultaneous radar meteor observations in 1985–86 at the approaches of the comet emphasize the relatively larger proportion of long-duration echoes with respect to previous years.     

Sunrise and range distribution of meteors

Summary The influence of the sunrise effect on the ionization of the meteor zone has been found from the comparison of meteor echo range distributions obtained by the meteor radars at Springhill (120 000 echoes) and Budrio (7000 echoes) during the activity of the Geminids meteor shower. The position of the maximum of the echo range distribution corresponding to the motion of the shower radiant was found to be shifted to larger distances, as expected from the sunrise effect, independently of different antenna systems of the two equipments.     

Application of belief theory to similarity data fusion for use in analog searching and lead hopping

A wide variety of computational algorithms have been developed that strive to capture the chemical similarity between two compounds for use in virtual screening and lead discovery. One limitation of such approaches is that, while a returned similarity value reflects the perceived degree of relatedness between any two compounds, there is no direct correlation between this value and the expectation or confidence that any two molecules will in fact be equally active. A lack of a common framework for interpretation of similarity measures also confounds the reliable fusion of information from different algorithms. Here, we present a probabilistic framework for interpreting similarity measures that directly correlates the similarity value to a quantitative expectation that two molecules will in fact be equipotent. The approach is based on extensive benchmarking of 10 different similarity methods (MACCS keys, Daylight fingerprints, maximum common subgraphs, rapid overlay of chemical structures (ROCS) shape similarity, and six connectivity-based fingerprints) against a database of more than 150,000 compounds with activity data against 23 protein targets. Given this unified and probabilistic framework for interpreting chemical similarity, principles derived from decision theory can then be applied to combine the evidence from different similarity measures in such a way that both capitalizes on the strengths of the individual approaches and maintains a quantitative estimate of the likelihood that any two molecules will exhibit similar biological activity.     

Structure and viscoelasticity of matched asymmetric diblock and triblock copolymers in the cylinder and sphere microstructures

A polystyrene–polyisoprene (PS–PI) diblock copolymer (10,000–50,000 g/mol) and a matched PS&ndashPI–PS triblock (10,000–100,000–10,000 g/mol) were employed to study the effect of chain architecture on the rheological response of ordered block copolymer melts. Both samples adopt hexagonal microstructures with PS cylinders embedded in a PI matrix; on further heating, an order–order transition (OOT) into a cubic array of spheres takes place prior to the order–disorder transition. Each morphology was verified by SAXS and TEM. Interestingly, at the OOT the low-frequency elastic modulus of the diblock increased abruptly, whereas that of the triblock decreased. In contrast, the modulus of the cubic phase was roughly independent of chain architecture. Chain relaxation parallel and perpendicular to the cylinders was probed by measuring the elastic modulus of a macroscopically aligned sample in directions parallel G and perpendicular (G) to the cylinder orientation. For both materials G < G < G where G is the elastic modulus of a randomly oriented sample. This result is attributed to the ability of the unentangled PS blocks to move along the direction of the cylinder axis, and thus relax the stress in the PI matrix in the parallel alignment. In each of the three cylindrical orientations the triblock had a larger modulus than the diblock, which is attributed to the presence of bridging PI blocks that connect distinct PS domains. About 20° below the OOT G showed a distinct change in its temperature dependence, which, coupled with SAXS measurements, is indicative of the onset of an undulation in the cylinder diameter that presages the pinching off of cylinders into spheres, as recently predicted by theory. The use of oriented samples also permitted SAXS confirmation of an approximate epitaxial relationship between the cylinder and the sphere unit cells, although a distinct change in the location of the structure factor maximum, q^*, is noted at the OOT. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2811–2823, 1997     

Microstructure of triblock copolymers in asphalt oligomers

A model asphalt has been separated into two parts, asphaltene and maltene, through solvent extraction by n-heptane. The interactions of asphaltene and maltene with the triblock copolymer poly(styrene-b-(ethylene-co-butylene)-b-styrene) (SEBS) were investigated by transmission electron microscopy (TEM), small-angle X-ray scattering (SAXS), dynamic mechanical analysis (DMA), and differential scanning calorimetry (DSC). Asphaltene was found to be essentially immiscible with both blocks of SEBS, while maltene was miscible with SEBS. An unusual sequence of morphological transformations of SEBS microstructure with respect to the addition of maltene was observed. The morphology transformed from hexagonal cylinder, to perforated layers, to lamellae and then back to the original hexagonal cylinder. The observed transformation reflects a limited solubility for both S and EB domains: at lower concentration maltene is a preferential additive for S domains, while increasing concentration the swelling of EB-rich microdomains by maltene becomes significant. The basic understanding of the interactions of the components of asphalt with SEBS gives a simple path to characterize and predict the microstructure of triblock copolymers in asphalt oligomers. © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2857–2877, 1997     

Rational design of diflunisal analogues with reduced affinity for human serum albumin.

Many lead compounds bind to serum albumin and exhibit markedly reduced efficacy in vivo as compared to their potency in vitro. To aid in the design of compounds with reduced albumin binding, we performed nuclear magnetic resonance (NMR) structural and binding studies on the complex between domain III of human serum albumin (HSA-III) and diflunisal, a cyclooxygenase inhibitor with antiinflammatory activity. The structural studies indicate that the aromatic rings of diflunisal are involved in extensive and specific interactions with hydrophobic residues that comprise the binding pocket in subdomain IIIA. The carboxylic acid of diflunisal forms electrostatic interactions with the protein similar to those observed in the X-ray structure of HSA complexed to myristic acid. In addition to the structural studies, NMR-derived binding constants were obtained for diflunisal and closely related analogues to develop a structure-affinity relationship for binding to subdomain IIIA. On the basis of the structural and binding data, compounds were synthesized that exhibit more than a 100-fold reduction in binding to domain III of HSA, and nearly a 10-fold reduction in affinity for full length albumin. Significantly, several of these compounds maintain activity against cyclooxygenase-2. These results suggest a rational strategy for designing out albumin binding in potential drug molecules by using structure-based design in conjunction with NMR-based screening.