Testing An Identification Algorithm for Extragalactic OB Associations Using a Galactic Sample

We have used a Galactic sample of OB stars and associations to test the performance of an automatic grouping algorithm designed to identify extragalactic OB associations. The algorithm identifies the known Galactic OB associations correctly when the search radius (78 pc) is defined by the observed stellar surface density. Galactic OB associations identified with a 78 pc search radius have diameters that are $\sim$3 times larger than OB associations identified with a 22 pc search radius in M33. Applying the smaller search radius to the Galactic data matches both the sizes and the number of member stars between the two galaxies quite well. Thus, we argue that this and similar algorithms should be used with a constant physical search radius, rather than one which varies with the stellar surface density. Such an approach would allow the identification of differences in the giant molecular cloud populations and star formation efficiency under most circumstances.Comment: accepted to AJ; 16 pages, aas latex, 9 postscript figures; available at http://www.physics.mcmaster.ca/Wilson_Preprints/index.htm

Limitations on wind-tunnel pressure signature extrapolation

Analysis of some recent experimental sonic boom data has revived the hypothesis that there is a closeness limit to the near-field separation distance from which measured wind tunnel pressure signatures can be extrapolated to the ground as though generated by a supersonic-cruise aircraft. Geometric acoustic theory is used to derive an estimate of this distance and the sample data is used to provide a preliminary indication of practical separation distance values

Molecular modelling studies of binding of DACD derivatives into G-Quadruplex DNA: comparison of force field and quantum polarized ligand docking methods

The DNA G-qadruplexes are one of the targets being actively explored for anti-cancer therapy by inhibiting them through small molecules. This computational study was conducted to predict the binding strengths and orientations of a set of novel dimethyl-amino-ethyl-acridine (DACA) analogues that are designed and synthesized in our laboratory, but did not diffract in Synchrotron light.Thecrystal structure of DNA G-Quadruplex(TGGGGT)4(PDB: 1O0K) was used as target for their binding properties in our studies.We used both the force field (FF) and QM/MM derived atomic charge schemes simultaneously for comparing the predictions of drug binding modes and their energetics. This study evaluates the comparative performance of fixed point charge based Glide XP docking and the quantum polarized ligand docking schemes. These results will provide insights on the effects of including or ignoring the drug-receptor interfacial polarization events in molecular docking simulations, which in turn, will aid the rational selection of computational methods at different levels of theory in future drug design programs. Plenty of molecular modelling tools and methods currently exist for modelling drug-receptor or protein-protein, or DNA-protein interactionssat different levels of complexities.Yet, the capasity of such tools to describevarious physico-chemical propertiesmore accuratelyis the next step ahead in currentresearch.Especially, the usage of most accurate methods in quantum mechanics(QM) is severely restricted by theirtedious nature. Though the usage of massively parallel super computing environments resulted in a tremendous improvement in molecular mechanics (MM) calculations like molecular dynamics,they are still capable of dealing with only a couple of tens to hundreds of atoms for QM methods. One such efficient strategy that utilizes thepowers of both MM and QM are the QM/MM hybrid methods. Lately, attempts have been directed towards the goal of deploying several different QM methods for betterment of force field based simulations, but with practical restrictions in place. One of such methods utilizes the inclusion of charge polarization events at the drug-receptor interface, that is not explicitly present in the MM FF

A synthesis of the echinoderm fauna of the Maltese Islands

A review of existing literature records of echinoderms from Malta and a study of a large collection of specimens was carried out between 2000 and 2004 so as to update and produce a validated checklist of echinoderms occurring in Maltese waters. Seventy different species of echinoderms are recorded, including a number of species for which only single records exist for the Maltese islands and five species that were not found in the present study. The Maltese echinoderm fauna includes 45% of the 153 recorded Mediterranean echinoderm species, and apart from two aliens, is typical of the central Mediterranean region.peer-reviewe

Ecological Opportunity In Adaptive Radiation Of Galapagos Endemic Land Snails

The classic evolutionary hypothesis of ecological opportunity proposes that both heterogeneity of resources and freedom from enemies promote phenotypic divergence as a response to increased niche availability. Although phenotypic divergence and speciation have often been inferred to be the primary consequences of the release from competition or predation that accompanies a shift to a new adaptive zone, increased phenotypic variation within species is expected to represent the first stage resulting from such a shift. Using measures of intraspecific morphological variation of 30 species of Galapagos endemic land snails in a phylogenetically controlled framework, we show that the number of local congeners and the number of local plant species are associated with lower and higher intraspecific phenotypic variation, respectively. In this clade, ecological opportunity thus explicitly links the role of competition from congeners and the heterogeneity of resources to the extent of intraspecific phenotypic divergence as adaptive radiation proceeds.Integrative Biolog