Vibrational spectroscopic force field studies of dimethyl sulfoxide and hexakis(dimethyl sulfoxide)scandium(III) iodide, and crystal and solution structure of the hexakis(dimethyl sulfoxide)scandium(III) ion

Hexakis(dimethyl sulfoxide) scandium(III) iodide, [Sc(OS(CH3)(2))(6)]I-3 contains centrosymmetric hexasolvated scandium(III) ions with an Sc-O bond distance of 2.069(3) Angstrom. EXAFS spectra yield a mean Sc-O bond distance of 2.09(1) Angstrom for solvated scandium(III) ions in dimethyl sulfoxide solution, consistent with six-coordination. Raman and infrared absorption spectra have been recorded, also of the deuterated compound, and analysed by means of normal coordinate methods, together with spectra of dimethyl sulfoxide. The effects on the vibrational spectra of the weak intermolecular C-H...O interactions and of the dipole dipole interactions in liquid dimethyl sulfoxide have been evaluated, in particular for the S O stretching mode. The strong Raman band at 1043.6 cm(-1) and the intense IR absorption at 1062.6 cm(-1) have been assigned as the S-O stretching frequencies of the dominating species in liquid dimethyl sulfoxide, evaluated as centrosymmetric dimers with antiparallel polar S-O groups. The shifts of vibrational frequencies and force constants for coordinated dimethyl sulfoxide ligands in hexasolvated trivalent metal ion complexes are discussed. Hexasolvated scandium( III) ions are found in dimethyl sulfoxide solution and in [Sc(OSMe2)(6)]I-3. The iodide ion dipole attraction shifts the methyl group C H stretching frequency for (S-)C-H...I- more than for the intermolecular (S-)C-H...O interactions in liquid dimethyl sulfoxide

CO in OH/IR stars close to the Galactic centre

Aims: A pilot project has been carried out to measure circumstellar CO emission from three OH/IR stars close to the Galactic centre. The intention was to find out whether it would be possible to conduct a large-scale survey for mass-loss rates using, for example, the Atacama Large Millimeter Array (ALMA). Such a survey would increase our understanding of the evolution of the Galactic bulge. Methods: Two millimetre-wave instruments were used: the Nobeyama Millimeter Array at 115 GHz and the Submillimeter Array at 230 GHz. An interferometer is necessary as a `spatial filter' in this region of space because of the confusion with interstellar CO emission. Results: Towards two of the stars, CO emission was detected with positions and radial velocities coinciding within the statistical errors with the corresponding data of the associated OH sources. However, for one of the stars the line profile is not what one expects for an unresolved expanding circumstellar envelope. We believe that this CO envelope is partially resolved and that this star therefore is a foreground star not belonging to the bulge. Conclusions: The results of the observations have shown that it is possible to detect line profiles of circumstellar CO from late-type stars both within and in the direction of the Galactic bulge. ALMA will be able to detect CO emission in short integrations with sensitivity sufficient to estimate mass-loss rates from a large number of such stars.Comment: 5 pages, 3 figure

Revision of empirical electric field modeling in the inner magnetosphere using Cluster data

Using Cluster data from the Electron Drift (EDI) and the Electric Field and Wave (EFW) instruments, we revise our empirically-based, inner-magnetospheric electric field (UNH-IMEF) model at 22.662 mV/m; K-p\u3c1, 1K(p)\u3c2, 2K(p)\u3c3, 3K(p)\u3c4, 4K(p)\u3c5, and K(p)4(+). Patterns consist of one set of data and processing for smaller activities, and another for higher activities. As activity increases, the skewed potential contour related to the partial ring current appears on the nightside. With the revised analysis, we find that the skewed potential contours get clearer and potential contours get denser on the nightside and morningside. Since the fluctuating components are not negligible, standard deviations from the modeled values are included in the model. In this study, we perform validation of the derived model more extensively. We find experimentally that the skewed contours are located close to the last closed equipotential, consistent with previous theories. This gives physical context to our model and serves as one validation effort. As another validation effort, the derived results are compared with other models/measurements. From these comparisons, we conclude that our model has some clear advantages over the others

Solving the polarization problem in ALMA-VLBI observations

The Atacama Large mm-submm Array (ALMA) is, by far, the most sensitive mm/submm telescope in the World. The ALMA Phasing Project (APP) will allow us to phase-up all the ALMA antennas and use them as one single VLBI station. This will be a key component of the Event Horizon Telescope (EHT), a Global VLBI array at millimeter wavelengths. A problem in the APP is the calibration and conversion of the polarization channels. Most VLBI stations record their signals in a circular basis, but the ALMA receivers record in a linear basis. The strategy that will be followed in the phased-ALMA VLBI observations will be to correlate in "mixed" basis (i.e., linear versus circular) and convert the visibilities to a pure circular basis after the correlation. We have developed an algorithm to perform such a polarization conversion of the VLBI visibilities. In these proceedings, we present the basics of the PolConvert algorithm and discuss on the polarization conversion in the general case were single dishes (besides phased arrays) record with linear receivers in VLBI observations. We show some results of PolConvert applied to realistic simulations, as well as a test with real VLBI observations at 86\,GHz between the Onsala radiotelescope (recording in linear basis) and the Effelsberg radiotelescope (recording in circular basis).Comment: To appear in the Proceedings of the 12th European VLBI Network Symposium (7-10 Oct 2014, Cagliary, Italy

Polyglutamine variation in a flowering time protein correlates with island age in a Hawaiian plant radiation

<p>Abstract</p> <p>Background</p> <p>A controversial topic in evolutionary developmental biology is whether morphological diversification in natural populations can be driven by expansions and contractions of amino acid repeats in proteins. To promote adaptation, selection on protein length variation must overcome deleterious effects of multiple correlated traits (pleiotropy). Thus far, systems that demonstrate this capacity include only ancient or artificial morphological diversifications. The Hawaiian Islands, with their linear geological sequence, present a unique environment to study recent, natural radiations. We have focused our research on the Hawaiian endemic mints (Lamiaceae), a large and diverse lineage with paradoxically low genetic variation, in order to test whether a direct relationship between coding-sequence repeat diversity and morphological change can be observed in an actively evolving system.</p> <p>Results</p> <p>Here we show that in the Hawaiian mints, extensive polyglutamine (CAG codon repeat) polymorphism within a homolog of the pleiotropic flowering time protein and abscisic acid receptor FCA tracks the natural environmental cline of the island chain, consequent with island age, across a period of 5 million years. CAG expansions, perhaps following their natural tendency to elongate, are more frequent in colonists of recently-formed, nutrient-rich islands than in their forebears on older, nutrient-poor islands. Values for several quantitative morphological variables related to reproductive investment, known from Arabidopsis <it>fca </it>mutant studies, weakly though positively correlate with increasing glutamine tract length. Together with protein modeling of FCA, which indicates that longer polyglutamine tracts could induce suboptimally mobile functional domains, we suggest that CAG expansions may form slightly deleterious alleles (with respect to protein function) that become fixed in founder populations.</p> <p>Conclusion</p> <p>In the Hawaiian mint <it>FCA </it>system, we infer that contraction of slightly deleterious CAG repeats occurred because of competition for resources along the natural environmental cline of the island chain. The observed geographical structure of <it>FCA </it>variation and its correlation with morphologies expected from Arabidopsis mutant studies may indicate that developmental pleiotropy played a role in the diversification of the mints. This discovery is important in that it concurs with other suggestions that repetitive amino acid motifs might provide a mechanism for driving morphological evolution, and that variation at such motifs might permit rapid tuning to environmental change.</p

Fast Algorithms for Spiking Neural Network Simulation with FPGAs

Using OpenCL-based high-level synthesis, we create a number of spiking neural network (SNN) simulators for the Potjans-Diesmann cortical microcircuit for a high-end Field-Programmable Gate Array (FPGA). Our best simulators simulate the circuit 25\% faster than real-time, require less than 21 nJ per synaptic event, and are bottle-necked by the device's on-chip memory. Speed-wise they compare favorably to the state-of-the-art GPU-based simulators and their energy usage is lower than any other published result. This result is the first for simulating the circuit on a single hardware accelerator. We also extensively analyze the techniques and algorithms we implement our simulators with, many of which can be realized on other types of hardware. Thus, this article is of interest to any researcher or practitioner interested in efficient SNN simulation, whether they target FPGAs or not.Comment: 34 page

The GOAL study: a prospective examination of the impact of factor V Leiden and ABO(H) blood groups on haemorrhagic and thrombotic pregnancy outcomes

Factor V Leiden (FVL) and ABO(H) blood groups are the common influences on haemostasis and retrospective studies have linked FVL with pregnancy complications. However, only one sizeable prospective examination has taken place. As a result, neither the impact of FVL in unselected subjects, any interaction with ABO(H) in pregnancy, nor the utility of screening for FVL is defined. A prospective study of 4250 unselected pregnancies was carried out. A venous thromboembolism (VTE) rate of 1·23/1000 was observed, but no significant association between FVL and pre-eclampsia, intra-uterine growth restriction or pregnancy loss was seen. No influence of FVL and/or ABO(H) on ante-natal bleeding or intra-partum or postpartum haemorrhage was observed. However, FVL was associated with birth-weights &gt;90th centile [odds ratio (OR) 1·81; 95% confidence interval (CI&lt;sub&gt;95&lt;/sub&gt;) 1·04–3·31] and neonatal death (OR 14·79; CI&lt;sub&gt;95&lt;/sub&gt; 2·71–80·74). No association with ABO(H) alone, or any interaction between ABO(H) and FVL was observed. We neither confirmed the protective effect of FVL on pregnancy-related blood loss reported in previous smaller studies, nor did we find the increased risk of some vascular complications reported in retrospective studies