Chemical Modelling of Young Stellar Objects, I. Method and Benchmarks

Upcoming facilities such as the Herschel Space Observatory or ALMA will deliver a wealth of molecular line observations of young stellar objects (YSOs). Based on line fluxes, chemical abundances can then be estimated by radiative transfer calculations. To derive physical properties from abundances, the chemical network needs to be modeled and fitted to the observations. This modeling process is however computationally exceedingly demanding, particularly if in addition to density and temperature, far UV (FUV) irradiation, X-rays, and multi-dimensional geometry have to be considered. We develop a fast tool, suitable for various applications of chemical modeling in YSOs. A grid of the chemical composition of the gas having a density, temperature, FUV irradiation and X-ray flux is pre-calculated as a function of time. A specific interpolation approach is developed to reduce the database to a feasible size. Published models of AFGL 2591 are used to verify the accuracy of the method. A second benchmark test is carried out for FUV sensitive molecules. The novel method for chemical modeling is more than 250,000 times faster than direct modeling and agrees within a mean factor of 1.35. The tool is distributed for public use. In the course of devloping the method, the chemical evolution is explored: We find that X-ray chemistry in envelopes of YSOs can be reproduced by means of an enhanced cosmic-ray ionization rate. We further find that the abundance of CH+ in low-density gas with high ionization can be enhanced by the recombination of doubly ionized carbon (C++) and suggest a new value for the initial abundance of the main sulphur carrier in the hot-core.Comment: Accepted by ApJS. 24 pages, 15 figures. A version with higher resolution images is available from http://www.astro.phys.ethz.ch/staff/simonbr/papgridI.pdf . Online data available at http://www.astro.phys.ethz.ch/chemgrid.html . Second paper of this series of papers available at arXiv:0906.058

Variation in sequence and location of the fumonisin mycotoxin niosynthetic gene cluster in Fusarium

In Fusarium, the ability to produce fumonisins is governed by a 17-gene fumonisin biosynthetic gene (FUM) cluster. Here, we examined the cluster in F. oxysporum strain O-1890 and nine other species selected to represent a wide range of the genetic diversity within the GFSC

Evidence of environmental strains on charge injection in silole based organic light emitting diodes

Using d. functional theory (DFT) computations, the authors demonstrated a substantial skeletal relaxation when the structure of 2,5-bis-[4-anthracene-9-yl-phenyl]-1,1-dimethyl-3,4-diphenyl-silole (BAS) is optimized in the gas-phase comparing with the mol. structure detd. from monocrystal x-ray diffraction. The origin of such a relaxation is explained by a strong environmental strains induced by the presence of anthracene entities. Also, the estn. of the frontier orbital levels showed that this structural relaxation affects mainly the LUMO that is lowered of 190 meV in the gas phase. To check if these theor. findings would be confirmed for thin films of BAS, the authors turned to UV photoemission spectroscopy and/or inverse photoemission spectroscopy and electrooptical measurements. The study of the c.d. or voltage and luminance or voltage characteristics of an ITO/PEDOT/BAS/Au device clearly demonstrated a very unusual temp.-dependent behavior. Using a thermally assisted tunnel transfer model, this behavior likely originated from the variation of the electronic affinity of the silole deriv. with the temp. The thermal agitation relaxes the mol. strains in thin films as it is shown when passing from the cryst. to the gas phase. The relaxation of the intramol. thus induces an increase of the electronic affinity and, as a consequence, the more efficient electron injection in org. light-emitting diodes

Therapist behaviours in a web-based mindfulness-based cognitive therapy (eMBCT) for chronic cancer-related fatigue:Analyses of e-mail correspondence

Web-based mindfulness-based cognitive therapy (eMBCT) has been found effective in decreasing fatigue severity in patients suffering from Chronic Cancer-Related Fatigue (CCRF). In web-based therapy, guidance from a therapist positively affects treatment outcome. So far, less is known about what kind of therapist behaviours contribute to treatment outcome. The present study aimed at 1) identifying therapist behaviours during eMBCT and 2) exploring whether these behaviours were correlated to a decrease in fatigue severity among patients. Qualitative content analyses were performed on 537 feedback e-mails from five therapists sent to 31 patients within a secured portal. Through content analyses, nine therapist behaviours were identified: emphatic utterances, probing self-reflection, informing, psychoeducation, task prompting, paraphrasing, task reinforcement, providing group context and alliance bolstering. Among these behaviours task prompting (19%), paraphrasing (16%) and task reinforcement (15%) were the most common. Linear regression analyses showed a significant association between informing and task prompting on the one hand and a decrease in fatigue severity on the other. Multivariate analysis indicated that informing and task prompting jointly explain the decrease in fatigue. These findings underline the importance for therapists to provide patients with sufficient information and to encourage them to do the exercises

Ga and Gß Proteins Regulate the Cyclic AMP Pathway That Is Required for Development and Pathogenicity of the Phytopathogen Mycosphaerella graminicola

We identified and functionally characterized genes encoding three G alpha proteins and one G beta protein in the dimorphic fungal wheat pathogen Mycosphaerella graminicola, which we designated MgGpa1, MgGpa2, MgGpa3, and MgGpb1, respectively. Sequence comparisons and phylogenetic analyses showed that MgGPA1 and MgGPA3 are most related to the mammalian G alpha(i) and G alpha(s) families, respectively, whereas MgGPA2 is not related to either of these families. On potato dextrose agar (PDA) and in yeast glucose broth (YGB), MgGpa1 mutants produced significantly longer spores than those of the wild type (WT), and these developed into unique fluffy mycelia in the latter medium, indicating that this gene negatively controls filamentation. MgGpa3 mutants showed more pronounced yeast-like growth accompanied with hampered filamentation and secreted a dark-brown pigment into YGB. Germ tubes emerging from spores of MgGpb1 mutants were wavy on water agar and showed a nested type of growth on PDA that was due to hampered filamentation, numerous cell fusions, and increased anastomosis. Intracellular cyclic AMP (cAMP) levels of MgGpb1 and MgGpa3 mutants were decreased, indicating that both genes positively regulate the cAMP pathway, which was confirmed because the WT phenotype was restored by adding cAMP to these mutant cultures. The cAMP levels in MgGpa1 mutants and the WT were not significantly different, suggesting that this gene might be dispensable for cAMP regulation. In planta assays showed that mutants of MgGpa1, MgGpa3, and MgGpb1 are strongly reduced in pathogenicity. We concluded that the heterotrimeric G proteins encoded by MgGpa3 and MgGpb1 regulate the cAMP pathway that is required for development and pathogenicity in M. graminicola

No negative impact of Palliative sedation on relatives' experience of the dying phase and their wellbeing after the patient's death: An observational study

Background: Palliative sedation is the widely-used intervention of administering sedating agents to induce a state of unconsciousness to take away a dying patient's perception of otherwise irrelievable symptoms. However, it remains questionable whether this ethically complex intervention is beneficial for patients and whether the associated lack of communication in the last phase of life has a negative impact on relatives' wellbeing. Methods: An observational questionnaire study was conducted among relatives of a consecutive sample of patients who died a non-sudden death in the Erasmus MC Cancer Institute or in the hospice 'Laurens Cadenza' (both in Rotterdam) between 2010 and 2013. Results: Relatives filled in questionnaires regarding 151 patients who had been sedated and 90 patients who had not been sedated. The median time since all patients had passed away was 21 (IQR 14-32) months. No significant differences were found in relatives' assessments of the quality of end-of-life care, patients' quality of life in the last week before death and their quality of dying, between patients who did and did not receive sedation, or in relatives' satisfaction with their own life, their general health and their mental wellbeing after the patient's death. Conclusions: The use of sedation in these patients appears to have no negative effect on bereaved relatives' evaluation of the patient's dying phase, or on their own wellbeing after the patient's death

Heavy Carriers and Non-Drude Optical Conductivity in MnSi

Optical properties of the weakly helimagnetic metal MnSi have been determined in the photon energy range from 2 meV to 4.5 eV using the combination of grazing incidence reflectance at 80 degrees (2 meV to 0.8 eV) and ellipsometry (0.8 to 4.5 eV). As the sample is cooled below 100 K the effective mass becomes strongly frequency dependent at low frequencies, while the scattering rate developes a linear frequency dependence. The complex optical conductivity can be described by the phenomenological relation \sigma(\omega,T) \propto (\Gamma(T)+i\omega)^{-1/2} used for cuprates and ruthenates.Comment: 5 pages, ReVTeX 4, 5 figures in eps forma

Magnetic excitations in the low-temperature ferroelectric phase of multiferroic YMn2O5 using inelastic neutron scattering

We studied magnetic excitations in a low-temperature ferroelectric phase of the multiferroic YMn2O5 using inelastic neutron scattering (INS). We identify low-energy magnon modes and establish a correspondence between the magnon peaks observed by INS and electromagnon peaks observed in optical absorption [1]. Furthermore, we explain the microscopic mechanism, which results in the lowest-energy electromagnon peak, by comparing the inelastic neutron spectral weight with the polarization in the commensurate ferroelectric phase.Comment: 4 pages, 4 figure

Potential benefits of an adaptive forward collision warning system

Forward collision warning (FCW) systems can reduce rear-end vehicle collisions. However, if the presentation of warnings is perceived as mistimed, trust in the system is diminished and drivers become less likely to respond appropriately. In this driving simulator investigation, 45 drivers experienced two FCW systems: a non-adaptive and an adaptive FCW that adjusted the timing of its alarms according to each individual driver’s reaction time. Whilst all drivers benefited in terms of improved safety from both FCW systems, non-aggressive drivers (low sensation seeking, long followers) did not display a preference to the adaptive FCW over its non-adaptive equivalent. Furthermore, there was little evidence to suggest that the non-aggressive drivers’ performance differed with either system. Benefits of the adaptive system were demonstrated for aggressive drivers (high sensation seeking, short followers). Even though both systems reduced their likelihood of a crash to a similar extent, the aggressive drivers rated each FCW more poorly than their non-aggressive contemporaries. However, this group, with their greater risk of involvement in rear-end collisions, reported a preference for the adaptive system as they found it less irritating and stress-inducing. Achieving greater acceptance and hence likely use of a real system is fundamental to good quality FCW design