Algorithms versus architectures for computational chemistry

The algorithms employed are computationally intensive and, as a result, increased performance (both algorithmic and architectural) is required to improve accuracy and to treat larger molecular systems. Several benchmark quantum chemistry codes are examined on a variety of architectures. While these codes are only a small portion of a typical quantum chemistry library, they illustrate many of the computationally intensive kernels and data manipulation requirements of some applications. Furthermore, understanding the performance of the existing algorithm on present and proposed supercomputers serves as a guide for future programs and algorithm development. The algorithms investigated are: (1) a sparse symmetric matrix vector product; (2) a four index integral transformation; and (3) the calculation of diatomic two electron Slater integrals. The vectorization strategies are examined for these algorithms for both the Cyber 205 and Cray XMP. In addition, multiprocessor implementations of the algorithms are looked at on the Cray XMP and on the MIT static data flow machine proposed by DENNIS

Hot Routes: Developing a New Technique for the Spatial Analysis of Crime

The use of hotspot mapping techniques such as KDE to represent the geographical spread of linear events can be problematic. Network-constrained data (for example transport-related crime) require a different approach to visualize concentration. We propose a methodology called Hot Routes, which measures the risk distribution of crime along a linear network by calculating the rate of crimes per section of road. This method has been designed for everyday crime analysts, and requires only a Geographical Information System (GIS), and suitable data to calculate. A demonstration is provided using crime data collected from London bus routes

Effect of a standardised dietary restriction protocol on multiple laboratory strains of Drosophila melanogaster

Background: Outcomes of lifespan studies in model organisms are particularly susceptible to variations in technical procedures. This is especially true of dietary restriction, which is implemented in many different ways among laboratories. Principal Findings: In this study, we have examined the effect of laboratory stock maintenance, genotype differences and microbial infection on the ability of dietary restriction (DR) to extend life in the fruit fly Drosophila melanogaster. None of these factors block the DR effect. Conclusions: These data lend support to the idea that nutrient restriction genuinely extends lifespan in flies, and that any mechanistic discoveries made with this model are of potential relevance to the determinants of lifespan in other organisms

The effect of elevated hydrostatic pressure on the spectral absorption of deep-sea fish visual pigments

The effect of hydrostatic pressure (0.1-54 MPa, equivalent to pressures experienced by fish from the ocean's surface to depths of ca. 5400 m) on visual pigment absorption spectra was investigated for rod visual pigments extracted from the retinae of 12 species of deep-sea fish of diverse phylogeny and habitat. The wavelength of peak absorption (λmax) was shifted to longer wavelengths by an average of 1.35 nm at 40 MPa (a pressure approximately equivalent to average ocean depth) relative to measurements made at one atmosphere (ca. 0.1 MPa), but with little evidence of a change in absorbance at the λmax. We conclude that previousλ max measurements of deep-sea fish visual pigments, made at a pressure close to 0.1 MPa, provide a good indication ofλ max values at higher pressures when considering the ecology of vision in the deep-sea. Although not affecting the spectral sensitivity of the animal to any important degree, the observed shift inλ max may be of interest in the context of understanding opsin-chromophore interaction and spectral tuning of visual pigments

Biology of breast cancer in young women

Breast cancer arising at a young age is relatively uncommon, particularly in the developed world. Several studies have demonstrated that younger patients often experience a more aggressive disease course and have poorer outcome compared to older women. Expression of key biomarkers, including endocrine receptors, HER2 and proliferation markers, appears to be different in younger patients and young women are more likely to harbor a genetic predisposition. Despite these differences, little research to date has focused on the biology of these tumors to refine prognosis, and potentially direct treatment strategies, which remain similar to those offered to older patients. Accumulating evidence suggests the differences in breast stroma in younger patients and changes that occur with pregnancy and breastfeeding likely contribute to the different biology of these tumors. Reproductive behaviors appear to impact the biology of tumors developing later in life. In addition, tumors arising during or shortly following pregnancy appear to exhibit unique biological features. In this review, we discuss our emerging understanding of the biology of breast cancer arising at a young age at both the pathologic and the genomic level. We elucidate the potential role of genomic signatures, the impact of pregnancy and breastfeeding on breast cancer biology, and how even current knowledge might advance the clinical management of young breast cancer patients

Deformation of a Trapped Fermi Gas with Unequal Spin Populations

The real-space densities of a polarized strongly-interacting two-component Fermi gas of $^6$Li atoms reveal two low temperature regimes, both with a fully-paired core. At the lowest temperatures, the unpolarized core deforms with increasing polarization. Sharp boundaries between the core and the excess unpaired atoms are consistent with a phase separation driven by a first-order phase transition. In contrast, at higher temperatures the core does not deform but remains unpolarized up to a critical polarization. The boundaries are not sharp in this case, indicating a partially-polarized shell between the core and the unpaired atoms. The temperature dependence is consistent with a tricritical point in the phase diagram.Comment: Accepted for publication in Physical Review Letter

Bright soliton trains of trapped Bose-Einstein condensates

We variationally determine the dynamics of bright soliton trains composed of harmonically trapped Bose-Einstein condensates with attractive interatomic interactions. In particular, we obtain the interaction potential between two solitons. We also discuss the formation of soliton trains due to the quantum mechanical phase fluctuations of a one-dimensional condensate.Comment: 4 pages, 2 figures, submitted to PR

NICMOS Imaging of the Dusty Microjansky Radio Source VLA J123642+621331 at z = 4.424

We present the discovery of a radio galaxy at a likely redshift of z = 4.424 in one of the flanking fields of the Hubble Deep Field. Radio observations with the VLA and MERLIN centered on the HDF yielded a complete sample of microjansky radio sources, of which about 20% have no optical counterpart to I < 25 mag. In this Letter, we address the possible nature of one of these sources, through deep HST NICMOS images in the F110W (J) and F160W (H) filters. VLA J123642+621331 has a single emission line at 6595-A, which we identify with Lyman-alpha at z = 4.424. We argue that this faint (H = 23.9 mag), compact (r = 0.2 arcsec), red (I - K = 2.0) object is most likely a dusty, star-forming galaxy with an embedded active nucleus.Comment: Accepted for publication in Astrophysical Journal Letters. 11 pages, 4 figures, uses aastex v5.0 and psfi