Chemistry in oxygen-rich circumstellar envelopes

We have considered the chemistry occuring in the circumstellar envelope surrounding an oxygen-rich AGE star and have specifically modelled 4 sources; R Dor, TX Cam, OH231.8+4.2 and IK Tau. Methane has been assumed to be a parent molecule and the resulting carbon chemistry is investigated. We find that carbon chain molecules up to C2H4 can be abundant as can CH3CN and CH3OH. Our model extends previous work by including the chemistry of silicon, chlorine and phosphorus. The presence of CH4 as a parent and hence its daughter species CH3 and CH3+ leads to other carbon-bearing species such as H2CS, SiCH2, H2CN and CCl.

FORMALDEHYDE IN OXYGEN-RICH CIRCUMSTELLAR ENVELOPES

We test the hypothesis that methane is the source of the carbon observed in carbon-bearing molecules around oxygen-rich stars, by considering the synthesis of formaldehyde which is formed in the reaction between oxygen atoms and methyl radicals. We find that, provided that the parent methane abundance is large enough, millimetre-wave emission lines of H2CO should be detectable in such stars. We also consider the formation of other species, notably H2CN and H2CS, from methyl radicals, but conclude that they will be at least one order of magnitude less abundant than H2CO and therefore not detectable with current instrumentation.

Qatar-1b: a hot Jupiter orbiting a metal-rich K dwarf star

We report the discovery and initial characterization of Qatar-1b, a hot Jupiter-orbiting metal-rich K dwarf star, the first planet discovered by the Qatar Exoplanet Survey. We describe the strategy used to select candidate transiting planets from photometry generated by the Qatar Exoplanet Survey camera array. We examine the rate of astrophysical and other false positives found during the spectroscopic reconnaissance of the initial batch of candidates. A simultaneous fit to the follow-up radial velocities and photometry of Qatar-1b yields a planetary mass of 1.09 ± 0.08 MJ and a radius of 1.16 ± 0.05 RJ. The orbital period and separation are 1.420 033 ± 0.000 016 d and 0.023 43 ± 0.000 26 au for an orbit assumed to be circular. The stellar density, effective temperature and rotation rate indicate an age greater than 4 Gyr for the system.

Massive stars exploding in a He-rich circumstellar medium - I. Type Ibn (SN 2006jc-like) events

We present new spectroscopic and photometric data of the Type Ibn supernovae 2006jc, 2000er and 2002ao. We discuss the general properties of this recently proposed supernova family, which also includes SN 1999cq. The early-time monitoring of SN 2000er traces the evolution of this class of objects during the first few days after the shock breakout. An overall similarity in the photometric and spectroscopic evolution is found among the members of this group, which would be unexpected if the energy in these core-collapse events was dominated by the interaction between supernova ejecta and circumstellar medium. Type Ibn supernovae appear to be rather normal Type Ib/c supernova explosions which occur within a He-rich circumstellar environment. SNe Ibn are therefore likely produced by the explosion of Wolf-Rayet progenitors still embedded in the He-rich material lost by the star in recent mass-loss episodes, which resemble known luminous blue variable eruptions. The evolved Wolf-Rayet star could either result from the evolution of a very massive star or be the more evolved member of a massive binary system. We also suggest that there are a number of arguments in favour of a Type Ibn classification for the historical SN 1885A (S-Andromedae), previously considered as an anomalous Type la event with some resemblance to SN 1991bg.

Massive stars exploding in a He-rich circumstellar medium - II. The transitional case of SN 2005la

We present photometric and spectroscopic data of the peculiar SN 2005la, an object which shows an optical light curve with some luminosity fluctuations and spectra with comparably strong narrow hydrogen and helium lines, probably of circumstellar nature. The increasing full width at half-maximum velocity of these lines is indicative of an acceleration of the circumstellar material. SN 2005la exhibits hybrid properties, sharing some similarities with both Type IIn supernovae and 2006jc-like (Type Ibn) events. We propose that the progenitor of SN 2005la was a very young Wolf-Rayet (WN-type) star which experienced mass ejection episodes shortly before core collapse.

The effect of lutein- and zeaxanthin-rich foods v. supplements on macular pigment level and serological markers of endothelial activation inflammation and oxidation pilot studies in healthy volunteers:pilot studies in healthy volunteers

The aim of the present study was to compare the effect of lutein- and zeaxanthin-rich foods and supplements on macular pigment level (MPL) and serological markers of endothelial activation, inflammation and oxidation in healthy volunteers. We conducted two 8-week intervention studies. Study 1 (n 52) subjects were randomised to receive either carrot juice (a carotene-rich food) or spinach powder (a lutein- and zeaxanthin-rich food) for 8 weeks. Study 2 subjects (n 75) received supplements containing lutein and zeaxanthin, ß-carotene, or placebo for 8 weeks in a randomised, double-blind, placebo-controlled trial. MPL, serum concentrations of lipid-soluble antioxidants, inter-cellular adhesion molecule 1, vascular cell adhesion molecule 1, C-reactive protein and F2-isoprostane levels were assessed at baseline and post-intervention in both studies. In these intervention studies, no effects on MPL or markers of endothelial activation, inflammation or oxidation were observed. However, the change in serum lutein and zeaxanthin was associated or tended to be associated with the change in MPL in those receiving lutein- and zeaxanthin-rich foods (lutein r 0.40, P = 0.05; zeaxanthin r 0.30, P = 0.14) or the lutein and zeaxanthin supplement (lutein r 0.43, P = 0.03; zeaxanthin r 0.22, P = 0.28). In both studies, the change in MPL was associated with baseline MPL (food study r - 0.54, P <0.001; supplement study r - 0.40, P <0.001). We conclude that this 8-week supplementation with lutein and zeaxanthin, whether as foods or as supplements, had no significant effect on MPL or serological markers of endothelial activation, inflammation and oxidation in healthy volunteers, but may improve MPL in the highest serum responders and in those with initially low MPL.

Selective hydrogenation of acetylene in ethylene rich feed streams at high pressure over ligand modified Pd/TiO2

The selective hydrogenation of acetylene from ethylene rich streams was conducted at high pressure and in the presence of CO over two 1 wt% loaded Pd/TiO2 catalysts with differing dispersions. Although, the more poorly dispersed sample did not result in high acetylene conversion only a small proportion of the total available ethylene was hydrogenated to ethane. The more highly dispersed sample was able to remove acetylene to a level below the detection limit but this was at the expense of significant proportion (ca. 30%) of the available ethylene. Modification of the catalysts by exposure to triphenyl phosphine or diphenyl sulfide and subsequent reduction at 393 K led to improved performance with increased conversion of acetylene and decreased propensity to hydrogenate ethylene resulting in an overall net gain in ethylene. The higher dispersed sample which had been ligand modified provided the best results overall and in particular for the diphenyl sulfide treated sample which was able to completely eliminate acetylene and still obtain a net gain in ethylene. The differences observed are thought to be due to the creation of appropriate active ensembles of Pd atoms which are able to accommodate acetylene but have limited ability to adsorb ethylene. Sub-surface hydrogen formation was suppressed, but not eliminated, by exposure to modifier.

CoMFA and homology-based models of the glycine binding site of N-methyl-D-aspartate receptor

Homology modeling was used to build 3D models of the N-methyl-D-aspartate (NMDA) receptor glycine binding site on the basis of an X-ray structure of the water-soluble AMPA-sensitive receptor. The docking of agonists and antagonists to these models was used to reveal binding modes of ligands and to explain known structure-activity relationships. Two types of quantitative models, 3D-QSAR/CoMFA and a regression model based on docking energies, were built for antagonists (derivatives of 4-hydroxy-2-quinolone, quinoxaline-2,3-dione, and related compounds). The CoMFA steric and electrostatic maps were superimposed on the homology-based model, and a close correspondence was marked. The derived computational models have permitted the evaluation of the structural features crucial for high glycine binding site affinity and are important for the design of new ligands.

Selectivity fields: comparative molecular field analysis (CoMFA) of the glycine/NMDA and AMPA receptors

An approach for evaluation of binding selectivity was suggested and exemplified using glycine/NMDA and AMPA receptors. For analyzing the pairwise selectivity, we propose to use the difference between biological activities (expressed as -log Ki) of ligands with respect to different receptor subtypes as a dependent variable for building comparative molecular field analysis (CoMFA) models. The resulting fields (which will be referred to as the "selectivity fields") indicate the ways of increasing selectivity of binding, inhibition, etc. As an example, CoMFA of a set of pyrazolo[1,5-c]quinazolines and triazolo[1,5-c]quinazolines was used for considering the binding selectivity with respect to glycine/NMDA and AMPA receptors. In addition, the mapping of these fields onto the molecular models of the corresponding receptors makes it possible to reveal the reasons for experimentally observed selectivity as well as to suggest additional ways of increasing selectivity.

Discovery and SAR of a novel series of non-MPEP site mGlu(5) PAMs based on an aryl glycine sulfonammide scaffold

Herein we report the discovery and SAR of a novel series of non-MPEP site metabotropic glutamate receptor 5 (mGlu(5)) positive allosteric modulators (PAMs) based on an aryl glycine sulfonamide scaffold. This series represents a rare non-MPEP site mGlu(5) PAM chemotype.

Arsenic rich iron plaque on macrophyte roots--an ecotoxicological risk?

Arsenic is known to accumulate with iron plaque on macrophyte roots. Three to four years after the Aznalcóllar mine spill (Spain), residual arsenic contamination left in seasonal wetland habitats has been identified in this form by scanning electron microscopy. Total digestion has determined arsenic concentrations in thoroughly washed 'root+plaque' material in excess of 1000 mg kg(-1), and further analysis using X-ray absorption spectroscopy suggests arsenic exists as both arsenate and arsenite. Certain herbivorous species feed on rhizomes and bulbs of macrophytes in a wide range of global environments, and the ecotoxicological impact of consuming arsenic rich iron plaque associated with such food items remains to be quantified. Here, greylag geese which feed on Scirpus maritimus rhizome and bulb material in areas affected by the Aznalcóllar spill are shown to have elevated levels of arsenic in their feces, which may originate from arsenic rich iron plaque.