37 resultados para 030606 Structural Chemistry and Spectroscopy


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We have developed new models of the chemistry of deuterium for investigating fractionation in interstellar molecular clouds. We have incorporated the latest information on reactions which affect deuteration, extended previous models to include S-D bonds for the first time and included the gasphase chemistry of some doubly-deuterated species. We present models for a wide range of physical parameters, including density, temperature, elemental abundances, and the freeze out of molecules on to dust grains. We discuss the detailed fractionation of particular species and show how fractionation can be used to probe the history of interstellar matter. The freeze out of molecules onto dust leads to significant enhancement in fractionation ratios and, in particular, to large fractionation in doubly-deuterated species.

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This article applies the panel stationarity test with a break proposed by Hadri and Rao (2008) to examine whether 14 macroeconomic variables of OECD countries can be best represented as random walk or stationary fluctuations around a deterministic trend. In contrast to previous studies, based essentially on visual inspection of the break type or just applying the most general break model, we use a model selection procedure based on BIC. We do this for each time series so that heterogeneous break models are allowed for in the panel. Our results suggest, overwhelmingly, that if we account for a structural break, cross-sectional dependence and choose the break models to be congruent with the data, then the null of stationarity cannot be rejected for all the 14 macroeconomic variables examined in this article. This is in sharp contrast with the results obtained by Hurlin (2004), using the same data but a different methodology.

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We compare the results of our JCMT spectral line survey of molecular gas towards ultracompact HII regions with the predictions of models of sulphur chemistry in hot cores. We investigate the range of evolutionary models that are consistent with the observed physical conditions and chemical abundances, and see to what extent it is possible to constrain core ages by comparing abundances with the predictions of chemical models. The observed abundance ratios vary little from source to source, suggesting that all the sources are at a similar evolutionary stage. The models are capable of predicting the observed abundances of H2S, SO, SO2, and CS. The models fail to predict the amount of OCS observed, suggesting that an alternative formation route is required. An initial H2S abundance from grain mantle evaporation of similar to 10(-7) is preferred.

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The FMRFamide-related peptides (FaRPs), KHEYLRFamide (AF2) and KSAYMRFamide (PF3) were structurally characterised from the parasitic nematode of sheep, Haemonchus contortus (MH isolate). Both peptides were sequenced in a single gas-phase sequencing run and their structure confirmed by mass spectrometry which identified peptides of 920 Da (C-terminally amidated AF2) and 902/918 Da (C-terminally amidated non-oxidised/oxidised PF3, respectively). AF2 had inhibitory effects on H. contortus muscle and inhibited acetylcholine (ACh, 10 mu M)-induced contractions, with a threshold for activity of I mu M. PF3 induced concentration-dependent contractions of H. contortus (activity threshold, 10 nM) and enhanced ACh contractions. Compared with the MH isolate, an isolate of H. contortus which has reduced sensitivity to cholinergic drugs (Lawes isolate) was less sensitive to the effects of PF3. The concentration-response curves for the cholinergic compounds ACh and levamisole (LEV), and PF3, but not a control, KPNFIRFamide (PF4), showed a statistically similar shift. This study implicates PF3 in the modulation of cholinergic function in H. contortus. (C) 1999 Elsevier Science B.V. All rights reserved.

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A full-scale 34 m composite wind turbine blade was tested to failure under flap-wise loading. Local displacement measurement equipment was developed and displacements were recorded throughout the loading history.

Ovalization of the load carrying box girder was measured in the full-scale test and simulated in non-linear FE-calculations. The nonlinear Brazier effect is characterized by a crushing pressure which causes the ovalization. To capture this effect, non-linear FE-analyses at different scales were employed. A global non-linear FE-model of the entire blade was prepared and the boundaries to a more detailed sub-model were extracted. The FE-model was calibrated based on full-scale test measurements.

Local displacement measurements helped identify the location of failure initiation which lead to catastrophic failure. Comparisons between measurements and FE-simulations showed that delamination of the outer skin was the initial failure mechanism followed by delamnination buckling which then led to collapse.