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We report the discovery of two new Galactic candidate luminous blue variable (LBV) stars via detection of circular shells (typical of confirmed and candidate LBVs) and follow-up spectroscopy of their central stars. The shells were detected at 22 mu m in the archival data of the Mid-Infrared All Sky Survey carried out with the Wide-field Infrared Survey Explorer (WISE). Follow-up optical spectroscopy of the central stars of the shells conducted with the renewed Southern African Large Telescope (SALT) showed that their spectra are very similar to those of the well-known LBVs P Cygni and AG Car, and the recently discovered candidate LBV MN112, which implies the LBV classification for these stars as well. The LBV classification of both stars is supported by detection of their significant photometric variability: one of them brightened in the R and I bands by 0.68 +/- 0.10 and 0.61 +/- 0.04 mag, respectively, during the last 1318 years, while the second one (known as Hen 3-1383) varies its B, V, R, I and Ks brightnesses by similar or equal to 0.50.9 mag on time-scales from 10 d to decades. We also found significant changes in the spectrum of Hen 3-1383 on a time-scale of similar or equal to 3 months, which provides additional support for the LBV classification of this star. Further spectrophotometric monitoring of both stars is required to firmly prove their LBV status. We discuss a connection between the location of massive stars in the field and their fast rotation, and suggest that the LBV activity of the newly discovered candidate LBVs might be directly related to their possible runaway status.
To identify genetic variants associated with head circumference in infancy, we performed a meta-analysis of seven genome-wide association studies (GWAS) (N = 10,768 individuals of European ancestry enrolled in pregnancy and/or birth cohorts) and followed up three lead signals in six replication studies (combined N = 19,089). rs7980687 on chromosome 12q24 (P = 8.1 x 10(-9)) and rs1042725 on chromosome 12q15 (P = 2.8 x 10(-10)) were robustly associated with head circumference in infancy. Although these loci have previously been associated with adult height(1), their effects on infant head circumference were largely independent of height (P = 3.8 x 10(-7) for rs7980687 and P = 1.3 x 10(-7) for rs1042725 after adjustment for infant height). A third signal, rs11655470 on chromosome 17q21, showed suggestive evidence of association with head circumference (P = 3.9 x 10(-6)). SNPs correlated to the 17q21 signal have shown genome-wide association with adult intracranial volume(2), Parkinson's disease and other neurodegenerative diseases(3-5), indicating that a common genetic variant in this region might link early brain growth with neurological disease in later life.
A catalog of genetic loci associated with kidney function from analyses of a million individuals
(2019)
Chronic kidney disease (CKD) is responsible for a public health burden with multi-systemic complications. Through transancestry meta-analysis of genome-wide association studies of estimated glomerular filtration rate (eGFR) and independent replication (n = 1,046,070), we identified 264 associated loci (166 new). Of these,147 were likely to be relevant for kidney function on the basis of associations with the alternative kidney function marker blood urea nitrogen (n = 416,178). Pathway and enrichment analyses, including mouse models with renal phenotypes, support the kidney as the main target organ. A genetic risk score for lower eGFR was associated with clinically diagnosed CKD in 452,264 independent individuals. Colocalization analyses of associations with eGFR among 783,978 European-ancestry individuals and gene expression across 46 human tissues, including tubulo-interstitial and glomerular kidney compartments, identified 17 genes differentially expressed in kidney. Fine-mapping highlighted missense driver variants in 11 genes and kidney-specific regulatory variants. These results provide a comprehensive priority list of molecular targets for translational research.
Reproducibility is a defining feature of science, but the extent to which it characterizes current research is unknown. We conducted replications of 100 experimental and correlational studies published in three psychology journals using high-powered designs and original materials when available. Replication effects were half the magnitude of original effects, representing a substantial decline. Ninety-seven percent of original studies had statistically significant results. Thirty-six percent of replications had statistically significant results; 47% of original effect sizes were in the 95% confidence interval of the replication effect size; 39% of effects were subjectively rated to have replicated the original result; and if no bias in original results is assumed, combining original and replication results left 68% with statistically significant effects. Correlational tests suggest that replication success was better predicted by the strength of original evidence than by characteristics of the original and replication teams.
Rapid decline of glomerular filtration rate estimated from creatinine (eGFRcrea) is associated with severe clinical endpoints. In contrast to cross-sectionally assessed eGFRcrea, the genetic basis for rapid eGFRcrea decline is largely unknown. To help define this, we meta-analyzed 42 genome-wide association studies from the Chronic Kidney Diseases Genetics Consortium and United Kingdom Biobank to identify genetic loci for rapid eGFRcrea decline. Two definitions of eGFRcrea decline were used: 3 mL/min/1.73m(2)/year or more ("Rapid3"; encompassing 34,874 cases, 107,090 controls) and eGFRcrea decline 25% or more and eGFRcrea under 60 mL/min/1.73m(2) at follow-up among those with eGFRcrea 60 mL/min/1.73m(2) or more at baseline ("CKDi25"; encompassing 19,901 cases, 175,244 controls). Seven independent variants were identified across six loci for Rapid3 and/or CKDi25: consisting of five variants at four loci with genome-wide significance (near UMOD-PDILT (2), PRKAG2, WDR72, OR2S2) and two variants among 265 known eGFRcrea variants (near GATM, LARP4B). All these loci were novel for Rapid3 and/or CKDi25 and our bioinformatic follow-up prioritized variants and genes underneath these loci. The OR2S2 locus is novel for any eGFRcrea trait including interesting candidates. For the five genome-wide significant lead variants, we found supporting effects for annual change in blood urea nitrogen or cystatin-based eGFR, but not for GATM or (LARP4B). Individuals at high compared to those at low genetic risk (8-14 vs. 0-5 adverse alleles) had a 1.20-fold increased risk of acute kidney injury (95% confidence interval 1.08-1.33). Thus, our identified loci for rapid kidney function decline may help prioritize therapeutic targets and identify mechanisms and individuals at risk for sustained deterioration of kidney function.
Rapid decline of glomerular filtration rate estimated from creatinine (eGFRcrea) is associated with severe clinical endpoints. In contrast to cross-sectionally assessed eGFRcrea, the genetic basis for rapid eGFRcrea decline is largely unknown. To help define this, we meta-analyzed 42 genome-wide association studies from the Chronic Kidney Diseases Genetics Consortium and United Kingdom Biobank to identify genetic loci for rapid eGFRcrea decline. Two definitions of eGFRcrea decline were used: 3 mL/min/1.73m(2)/year or more ("Rapid3"; encompassing 34,874 cases, 107,090 controls) and eGFRcrea decline 25% or more and eGFRcrea under 60 mL/min/1.73m(2) at follow-up among those with eGFRcrea 60 mL/min/1.73m(2) or more at baseline ("CKDi25"; encompassing 19,901 cases, 175,244 controls). Seven independent variants were identified across six loci for Rapid3 and/or CKDi25: consisting of five variants at four loci with genome-wide significance (near UMOD-PDILT (2), PRKAG2, WDR72, OR2S2) and two variants among 265 known eGFRcrea variants (near GATM, LARP4B). All these loci were novel for Rapid3 and/or CKDi25 and our bioinformatic follow-up prioritized variants and genes underneath these loci. The OR2S2 locus is novel for any eGFRcrea trait including interesting candidates. For the five genome-wide significant lead variants, we found supporting effects for annual change in blood urea nitrogen or cystatin-based eGFR, but not for GATM or (LARP4B). Individuals at high compared to those at low genetic risk (8-14 vs. 0-5 adverse alleles) had a 1.20-fold increased risk of acute kidney injury (95% confidence interval 1.08-1.33). Thus, our identified loci for rapid kidney function decline may help prioritize therapeutic targets and identify mechanisms and individuals at risk for sustained deterioration of kidney function.
A considerable fraction of the central stars of planetary nebulae (CSPNe) are hydrogen-deficient. Almost all of these H-deficient central stars (CSs) display spectra with strong carbon and helium lines. Most of them exhibit emission-line spectra resembling those of massive WC stars. Therefore these stars are classed as CSPNe of spectral type [WC]. Recently, quantitative spectral analysis of two emission-line CSs, PB 8 and IC 4663, revealed that these stars do not belong to the [WC] class. Instead PB 8 has been classified as [WN/WC] type and IC 4663 as [WN] type. In this work we report the spectroscopic identification of another rare [WN] star, the CS of Abell 48. We performed a spectral analysis of Abell 48 with the Potsdam Wolf-Rayet (PoWR) models for expanding atmospheres. We find that the expanding atmosphere of Abell 48 is mainly composed of helium (85 per cent by mass), hydrogen (10 per cent) and nitrogen (5 per cent). The residual hydrogen and the enhanced nitrogen abundance make this object different from the other [WN] star IC 4663. We discuss the possible origin of this atmospheric composition.
During aging, intracranial volume remains unchanged and represents maximally attained brain size, while various interacting biological phenomena lead to brain volume loss. Consequently, intracranial volume and brain volume in late life reflect different genetic influences. Our genome-wide association study (GWAS) in 8,175 community-dwelling elderly persons did not reveal any associations at genome-wide significance (P < 5 x 10(-8)) for brain volume. In contrast, intracranial volume was significantly associated with two loci: rs4273712 (P = 3.4 x 10(-11)), a known height-associated locus on chromosome 6q22, and rs9915547 (P = 1.5 x 10(-12)), localized to the inversion on chromosome 17q21. We replicated the associations of these loci with intracranial volume in a separate sample of 1,752 elderly persons (P = 1.1 x 10(-3) for 6q22 and 1.2 x 10(-3) for 17q21). Furthermore, we also found suggestive associations of the 17q21 locus with head circumference in 10,768 children (mean age of 14.5 months). Our data identify two loci associated with head size, with the inversion at 17q21 also likely to be involved in attaining maximal brain size.
We introduce a new survey of massive stars in the Galaxy and the Magellanic Clouds using the Fibre Large Array Multi- Element Spectrograph ( FLAMES) instrument at the Very Large Telescope ( VLT). Here we present observations of 269 Galactic stars with the FLAMES- Giraffe Spectrograph ( R similar or equal to 25 000), in fields centered on the open clusters NGC3293, NGC4755 and NGC6611. These data are supplemented by a further 50 targets observed with the Fibre- Fed Extended Range Optical Spectrograph ( FEROS, R = 48 000). Following a description of our scientific motivations and target selection criteria, the data reduction methods are described; of critical importance the FLAMES reduction pipeline is found to yield spectra that are in excellent agreement with less automated methods. Spectral classifications and radial velocity measurements are presented for each star, with particular attention paid to morphological peculiarities and evidence of binarity. These observations represent a significant increase in the known spectral content of NGC3293 and NGC4755, and will serve as standards against which our subsequent FLAMES observations in the Magellanic Clouds will be compared
Gilbert et al. conclude that evidence from the Open Science Collaboration’s Reproducibility Project: Psychology indicates high reproducibility, given the study methodology. Their very optimistic assessment is limited by statistical misconceptions and by causal inferences from selectively interpreted, correlational data. Using the Reproducibility Project: Psychology data, both optimistic and pessimistic conclusions about reproducibility are possible, and neither are yet warranted.
The photochemical ring-opening of 1,3-cyclohexadiene imaged by ultrafast electron diffraction
(2019)
The ultrafast photoinduced ring-opening of 1,3-cyclohexadiene constitutes a textbook example of electrocyclic reactions in organic chemistry and a model for photobiological reactions in vitamin D synthesis. Although the relaxation from the photoexcited electronic state during the ring-opening has been investigated in numerous studies, the accompanying changes in atomic distance have not been resolved. Here we present a direct and unambiguous observation of the ring-opening reaction path on the femtosecond timescale and subangstrom length scale using megaelectronvolt ultrafast electron diffraction. We followed the carbon-carbon bond dissociation and the structural opening of the 1,3-cyclohexadiene ring by the direct measurement of time-dependent changes in the distribution of interatomic distances. We observed a substantial acceleration of the ring-opening motion after internal conversion to the ground state due to a steepening of the electronic potential gradient towards the product minima. The ring-opening motion transforms into rotation of the terminal ethylene groups in the photoproduct 1,3,5-hexatriene on the subpicosecond timescale.
Femtosecond x-ray laser pulses are used to probe the carbon monoxide (CO) oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and oxygen (O) on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the OK-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OC-O bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region, which is consistent with predictions based on a quantum oscillator model.
The planetary nebula N66 in the Large Magellanic Cloud is an extraordinary object, as it is the only confirmed PN where the central star is a Wolf-Rayet star of the nitrogen sequence, i.e. of type [WN]. Moreover, the star showed a dramatic brightness outburst in 1993-1994. In a previous paper (Hamann et al. 2003) we analyzed the changing stellar spectra and found evidence that the central star is most likely a binary system where a white dwarf presently accretes matter from a non-degenerate companion at a high rate. Thus the object is a candidate for a future type Ia supernova in our cosmic neighborhood. In the present paper we analyze the morphology and kinematics of the nebula, using images and high-resolution spectra obtained with the Hubble Space Telescope (HST) and the Very Large Telescope (ESO-VLT). The object presents a complex multipolar structure, dominated by very bright lobes located at both sides of the central star and separated by a narrow waist. In addition there is a pair of very extended and twisted loops, also pointing in opposite directions; their symmetry axis and collimation angle differs from those of the bright lobes. High resolution spectroscopy reveals two main velocity components, "approaching" material at an average heliocentric radial velocity Of V-rad = 248 30 km s(-1) and similarly bright "receding" material at V-rad = 331 +/- 25 km s(-1). A systemic velocity of about 300 km s(-1) is derived. Opposite lobes and loops possess opposite velocities. Furthermore there are knots and filaments of complex structure and kinematics. Close to the central star, nebular gas is found, receding at very high velocity (125 km s(-1) relative to the system). The morphology and kinematics of LMC-N66 can be explained as the result of episodic bipolar ejections with changing axis. The bipolar structures could have been produced by collimated streams ejected from a precessing central source. We suggest that the precession could have been produced by an external torque, possibly due to a binary companion. Young, fast-moving nebular knots close to the star appear slightly He- and N-richer than the main body of the nebula, but are still hydrogen-rich in contrast to the helium-dominated atmosphere of the [WN]- type central star. In the binary scenario, this nebular matter must have been accreted from the non-degenerate companion and re-ejected before it was fully burnt
We present an overview of four deep phase-constrained Chandra HETGS X-ray observations of delta Ori A. Delta Ori A is actually a triple system that includes the nearest massive eclipsing spectroscopic binary, delta Ori Aa, the only such object that can be observed with little phase-smearing with the Chandra gratings. Since the fainter star, delta Ori Aa2, has a much lower X-ray luminosity than the brighter primary (delta Ori Aa1), delta Ori Aa provides a unique system with which to test the spatial distribution of the X-ray emitting gas around delta Ori Aa1 via occultation by the photosphere of, and wind cavity around, the X-ray dark secondary. Here we discuss the X-ray spectrum and X-ray line profiles for the combined observation, having an exposure time of nearly 500 ks and covering nearly the entire binary orbit. The companion papers discuss the X-ray variability seen in the Chandra spectra, present new space-based photometry and ground-based radial velocities obtained simultaneously with the X-ray data to better constrain the system parameters, and model the effects of X-rays on the optical and UV spectra. We find that the X-ray emission is dominated by embedded wind shock emission from star Aa1, with little contribution from the tertiary star Ab or the shocked gas produced by the collision of the wind of Aa1 against the surface of Aa2. We find a similar temperature distribution to previous X-ray spectrum analyses. We also show that the line half-widths are about 0.3-0.5 times the terminal velocity of the wind of star Aa1. We find a strong anti-correlation between line widths and the line excitation energy, which suggests that longer-wavelength, lower-temperature lines form farther out in the wind. Our analysis also indicates that the ratio of the intensities of the strong and weak lines of Fe XVII and Ne X are inconsistent with model predictions, which may be an effect of resonance scattering.
Simulation models that describe autonomous individual organisms (individual based models, IBM) or agents (agent-based models, ABM) have become a widely used tool, not only in ecology, but also in many other disciplines dealing with complex systems made up of autonomous entities. However, there is no standard protocol for describing such simulation models, which can make them difficult to understand and to duplicate. This paper presents a proposed standard protocol, ODD, for describing IBMs and ABMs, developed and tested by 28 modellers who cover a wide range of fields within ecology. This protocol consists of three blocks (Overview, Design concepts, and Details), which are subdivided into seven elements: Purpose, State variables and scales, Process overview and scheduling, Design concepts, Initialization, Input, and Submodels. We explain which aspects of a model should be described in each element, and we present an example to illustrate the protocol in use. In addition, 19 examples are available in an Online Appendix. We consider ODD as a first step for establishing a more detailed common format of the description of IBMs and ABMs. Once initiated, the protocol will hopefully evolve as it becomes used by a sufficiently large proportion of modellers. (c) 2006 Elsevier B.V. All rights reserved.
We used the Linac Coherent Light Source free-electron x-ray laser to probe the electronic structure of CO molecules as their chemisorption state on Ru(0001) changes upon exciting the substrate by using a femtosecond optical laser pulse. We observed electronic structure changes that are consistent with a weakening of the CO interaction with the substrate but without notable desorption. A large fraction of the molecules (30%) was trapped in a transient precursor state that would precede desorption. We calculated the free energy of the molecule as a function of the desorption reaction coordinate using density functional theory, including van der Waals interactions. Two distinct adsorption wells-chemisorbed and precursor state separated by an entropy barrier-explain the anomalously high prefactors often observed in desorption of molecules from metals.
Morphology of the planetary nebula LMC-N66 (ionized by a [WN] star) indicates that the nebula is a multipolar object with a very narrow waist. It shows several jets, knots and filaments in opposite directions from the central star. A couple of twisted long filaments could be interpreted as due to point-symmetric type ejection. If such is the case, the progenitor would be a binary precessing system. High resolution spectroscopy shows that most of the material is approaching or receding from the star. However the line profiles are very complex, showing several components at different velocities. Our high resolution spectroscopic data show that the different structures (knots, filaments, ...) present different radial velocities spreading from 240 to more than 400 km/s. The system velocity is 300 km/s. There are high velocity knots located to the north of the central star, moving at more than 100 km/s relative to the system velocity.
We address the question of the multiplicativity of the maximal p-norm output purities of bosonic Gaussian channels under Gaussian inputs. We focus on general Gaussian channels resulting from the reduction of unitary dynamics in larger Hilbert spaces. It is shown that the maximal output purity of tensor products of single-mode channels under Gaussian inputs is multiplicative for any p is an element of (1, infinity) for products of arbitrary identical channels as well as for a large class of products of different channels. In the case of p=2, multiplicativity is shown to be true for arbitrary products of generic channels acting on any number of modes
We consider the additivity of the minimal output entropy and the classical information capacity of a class of quantum channels. For this class of channels, the norm of the output is maximized for the output being a normalized projection. We prove the additivity of the minimal output Renyi entropies with entropic parameters alpha is an element of [ 0, 2], generalizing an argument by Alicki and Fannes, and present a number of examples in detail. In order to relate these results to the classical information capacity, we introduce a weak form of covariance of a channel. We then identify various instances of weakly covariant channels for which we can infer the additivity of the classical information capacity. Both additivity results apply to the case of an arbitrary number of different channels. Finally, we relate the obtained results to instances of bi-partite quantum states for which the entanglement cost can be calculated
Serving many at once: How a database approach can create unity in dynamical ecosystem modelling
(2014)
Simulation modelling in ecology is a field that is becoming increasingly compartmentalized. Here we propose a Database Approach To Modelling (DATM) to create unity in dynamical ecosystem modelling with differential equations. In this approach the storage of ecological knowledge is independent of the language and platform in which the model will be run. To create an instance of the model, the information in the database is translated and augmented with the language and platform specifics. This process is automated so that a new instance can be created each time the database is updated. We describe the approach using the simple Lotka-Volterra model and the complex ecosystem model for shallow lakes PCLake, which we automatically implement in the frameworks OSIRIS, GRIND for MATLAB, ACSL, R, DUFLOW and DELWAQ. A clear advantage of working in a database is the overview it provides. The simplicity of the approach only adds to its elegance. (C) 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license (http://creativecommons.org/licenses/by-nc-sa/3.0/).
In the light of ongoing land use changes, it is important to understand how multitrophic communities perform at different land use intensities. The paradox of enrichment predicts that fertilization leads to destabilization and extinction of predator-prey systems. We tested this prediction for a land use intensity gradient from natural to highly fertilized agricultural ecosystems. We included multiple aboveground and belowground trophic levels and land use-dependent searching efficiencies of insects. To overcome logistic constraints of field experiments, we used a successfully validated simulation model to investigate plant responses to removal of herbivores and their enemies. Consistent with our predictions, instability measured by herbivore-induced plant mortality increased with increasing land use intensity. Simultaneously, the balance between herbivores and natural enemies turned increasingly towards herbivore dominance and natural enemy failure. Under natural conditions, there were more frequently significant effects of belowground herbivores and their natural enemies on plant performance, whereas there were more aboveground effects in agroecosystems. This result was partly due to the "boom-bust'' behavior of the shoot herbivore population. Plant responses to herbivore or natural enemy removal were much more abrupt than the imposed smooth land use intensity gradient. This may be due to the presence of multiple trophic levels aboveground and belowground. Our model suggests that destabilization and extinction are more likely to occur in agroecosystems than in natural communities, but the shape of the relationship is nonlinear under the influence of multiple trophic interactions. Citation: Meyer KM, Vos M, Mooij WM, Hol WHG, Termorshuizen AJ, et al. (2012) Testing the Paradox of Enrichment along a Land Use Gradient in a Multitrophic Aboveground and Belowground Community.
Water quality modelling deals with multidisciplinary questions ranging from fundamental to applied. Addressing this broad range of questions requires multiple analysis techniques and therefore multiple frameworks. Through the recently developed database approach to modelling (DATM), it has become possible to run a model in multiple software frameworks without much overhead. Here we apply DATM to the ecosystem model for ditches PCDitch and its twin model for shallow lakes PCLake. Using DATM, we run these models in six frameworks (ACSL, DELWAQ, DUFLOW, GRIND for MATLAB, OSIRIS and R), and report on the possible model analyses with tools provided by each framework. We conclude that the dynamic link between frameworks and models resulting from DATM has the following main advantages: it allows one to use the framework one is familiar with for most model analyses and eases switching between frameworks for complementary model analyses, including the switch between a 0-D and 1-D to 3-D setting. Moreover, the strength of each framework - including runtime performance - can now be easily exploited. We envision that a community-based further development of the concept can contribute to the future development of water quality modelling, not only by addressing multidisciplinary questions but also by facilitating the exchange of models and process formulations within the community of water quality modellers.
Very massive stars, 100 times heavier than the sun, are rare. It is not yet known whether such stars can form in isolation or only in star clusters. The answer to this question is of fundamental importance. The central region of our Galaxy is ideal for investigating very massive stars and clusters located in the same environment. We used archival infrared images to investigate the surroundings of apparently isolated massive stars presently known in the Galactic Centre (GC). We find that two such isolated massive stars display bow shocks and hence may be 'runaways' from their birthplace. Thus, some isolated massive stars in the GC region might have been born in star clusters known in this region. However, no bow shock is detected around the isolated star WR 102ka (Peony nebula star), which is one of the most massive and luminous stars in the Galaxy. This star is located at the centre of an associated circumstellar nebula. To study whether a star cluster may be 'hidden' in the surroundings of WR 102ka, to obtain new and better spectra of this star, and to measure its radial velocity, we obtained observations with the integral-field spectrograph SINFONI at the ESO's Very Large Telescope. Our observations confirm that WR 102ka is one of the most massive stars in the Galaxy and reveal that this star is not associated with a star cluster. We suggest that WR 102ka has been born in relative isolation, outside of any massive star cluster.
Context. It is not yet clear whether magnetic fields play an essential role in shaping planetary nebulae (PNe), or whether stellar rotation alone and/or a close binary companion, stellar or substellar, can account for the variety of the observed nebular morphologies.
Aims. In a quest for empirical evidence verifying or disproving the role of magnetic fields in shaping planetary nebulae, we follow up on previous attempts to measure the magnetic field in a representative sample of PN central stars.
Methods. We obtained low-resolution polarimetric spectra with FORS2 installed on the Antu telescope of the VLT for a sample of 12 bright central stars of PNe with different morphologies, including two round nebulae, seven elliptical nebulae, and three bipolar nebulae. Two targets are Wolf-Rayet type central stars.
Results. For the majority of the observed central stars, we do not find any significant evidence for the existence of surface magnetic fields. However, our measurements may indicate the presence of weak mean longitudinal magnetic fields of the order of 100 Gauss in the central star of the young elliptical planetary nebula IC 418 as well as in the Wolf-Rayet type central star of the bipolar nebula Hen 2-113 and the weak emission line central star of the elliptical nebula Hen 2-131. A clear detection of a 250 G mean longitudinal field is achieved for the A-type companion of the central star of NGC 1514. Some of the central stars show a moderate night-to-night spectrum variability, which may be the signature of a variable stellar wind and/or rotational modulation due to magnetic features.
Conclusions. Since our analysis indicates only weak fields, if any, in a few targets of our sample, we conclude that strong magnetic fields of the order of kG are not widespread among PNe central stars. Nevertheless, simple estimates based on a theoretical model of magnetized wind bubbles suggest that even weak magnetic fields below the current detection limit of the order of 100 G may well be sufficient to contribute to the shaping of the surrounding nebulae throughout their evolution. Our current sample is too small to draw conclusions about a correlation between nebular morphology and the presence of stellar magnetic fields.
Recent experiments using time- and angle-resolved two-photon photoemission (2PPE) spectroscopy at metal/polar adsorbate interfaces succeeded in time-dependent analysis of the process of electron solvation. A fully quantum mechanical, two-dimensional simulation of this process, which explicitly includes laser excitation, is presented here, confirming the origin of characteristic features, such as the experimental observation of an apparently negative dispersion. The inference of the spatial extent of the localized electron states from the angular dependence of the 2PPE spectra has been found to be non-trivial and system-dependent. (C) 2005 American Institute of Physics
We present time-resolved and phase-resolved variability studies of an extensive X-ray high-resolution spectral data set of the delta Ori Aa binary system. The four observations, obtained with Chandra ACIS HETGS, have a total exposure time of approximate to 479 ks and provide nearly complete binary phase coverage. Variability of the total X-ray flux in the range of 5-25 is is confirmed, with a maximum amplitude of about +/- 15% within a single approximate to 125 ks observation. Periods of 4.76 and 2.04 days are found in the total X-ray flux, as well as an apparent overall increase in the flux level throughout the nine-day observational campaign. Using 40 ks contiguous spectra derived from the original observations, we investigate the variability of emission line parameters and ratios. Several emission lines are shown to be variable, including S XV, Si XIII, and Ne IX. For the first time, variations of the X-ray emission line widths as a function of the binary phase are found in a binary system, with the smallest widths at phi = 0.0 when the secondary delta Ori Aa2 is at the inferior conjunction. Using 3D hydrodynamic modeling of the interacting winds, we relate the emission line width variability to the presence of a wind cavity created by a wind-wind collision, which is effectively void of embedded wind shocks and is carved out of the X-ray-producing primary wind, thus producing phase-locked X-ray variability.
Selective ultrafast probing of transient hot chemisorbed and precursor States of CO on Ru(0001)
(2013)
We have studied the femtosecond dynamics following optical laser excitation of CO adsorbed on a Ru surface by monitoring changes in the occupied and unoccupied electronic structure using ultrafast soft x-ray absorption and emission. We recently reported [M. Dell'Angela et al. Science 339, 1302 (2013)] a phonon-mediated transition into a weakly adsorbed precursor state occurring on a time scale of >2 ps prior to desorption. Here we focus on processes within the first picosecond after laser excitation and show that the metal-adsorbate coordination is initially increased due to hot-electron-driven vibrational excitations. This process is faster than, but occurs in parallel with, the transition into the precursor state. With resonant x-ray emission spectroscopy, we probe each of these states selectively and determine the respective transient populations depending on optical laser fluence. Ab initio molecular dynamics simulations of CO adsorbed on Ru(0001) were performed at 1500 and 3000 K providing insight into the desorption process.
Eclipsing post-common-envelope binaries are highly important for resolving the poorly understood, very short-lived common-envelope phase of stellar evolution. Most hot subdwarfs (sdO/Bs) are the bare helium-burning cores of red giants that have lost almost all of their hydrogen envelope. This mass loss is often triggered by common-envelope interactions with close stellar or even substellar companions. Cool companions to hot subdwarf stars such as late-type stars and brown dwarfs are detectable from characteristic light-curve variations - reflection effects and often eclipses. In the recently published catalog of eclipsing binaries in the Galactic Bulge and in the Asteroid Terrestrial-impact Last Alert System (ATLAS) survey, we discovered 125 new eclipsing systems showing a reflection effect seen by visual inspection of the light curves and using a machine-learning algorithm, in addition to the 36 systems previously discovered by the Optical Gravitational Lesing Experiment (OGLE) team. The Eclipsing Reflection Effect Binaries from Optical Surveys (EREBOS) project aims at analyzing all newly discovered eclipsing binaries of the HW Vir type (hot subdwarf + close, cool companion) based on a spectroscopic and photometric follow up to derive the mass distribution of the companions, constrain the fraction of substellar companions, and determine the minimum mass needed to strip off the red-giant envelope. To constrain the nature of the primary we derived the absolute magnitude and the reduced proper motion of all our targets with the help of the parallaxes and proper motions measured by the Gaia mission and compared those to the Gaia white-dwarf candidate catalog. It was possible to derive the nature of a subset of our targets, for which observed spectra are available, by measuring the atmospheric parameter of the primary, confirming that less than 10% of our systems are not sdO/Bs with cool companions but are white dwarfs or central stars of planetary nebula. This large sample of eclipsing hot subdwarfs with cool companions allowed us to derive a significant period distribution for hot subdwarfs with cool companions for the first time showing that the period distribution is much broader than previously thought and is ideally suited to finding the lowest-mass companions to hot subdwarf stars. The comparison with related binary populations shows that the period distribution of HW Vir systems is very similar to WD+dM systems and central stars of planetary nebula with cool companions. In the future, several new photometric surveys will be carried out, which will further increase the sample of this project, providing the potential to test many aspects of common-envelope theory and binary evolution.
Prenatal stress (PS) has been related to altered hypothalamic-pituitary-adrenal (HPA) axis activity later in life. So far, studies in children assessing HPA axis functioning have focused on salivary cortisol, reflecting daytime activity. The present work is part of a prospective study and aims to extend knowledge about the association between PS and HPA axis regulation in children. To do so, we investigated cortisol, cortisone, and the ratio cortisone/(cortisone + cortisol) in the first morning urine of 45-month-old children in relation to several measures of maternal stress during pregnancy. Urinary cortisol and cortisone were measured by online turbulent flow chromatography coupled with high performance liquid chromatography-tandem mass spectrometry. PS was defined as: perceived stress for aim 1 (Perceived Stress Scale; n = 280); presence of self-reported (n = 371) and expert-rated psychopathology for aim 2 (Mini International Neuropsychiatric Interview; n = 281); continuous measures of anxiety and depression for exploratory aim 3 (State-Trait Anxiety Inventory and Edinburgh Postnatal Depression Scale; n = 280). The ratio cortisone/(cortisone + cortisol) as a global marker for the balance between the enzymes metabolizing cortisol to cortisone and vice versa (11 beta-hydroxysteroid dehydrogenases type 1 and 2; 11 beta-HSD1 and 2) was not associated with any measure of maternal PS (aims 1-3). The present study provides insight into possible programming effects of PS on nocturnal HPA axis activity and a proxy of 11 beta-HSD in a large sample. The results suggest that the nocturnal rate of cortisol production is lower in children exposed to PS, but do not support the hypothesis of divergent 11 beta-HSD activity.
The selaginella genome identifies genetic changes associated with the evolution of vascular plants
(2011)
Vascular plants appeared similar to 410 million years ago, then diverged into several lineages of which only two survive: the euphyllophytes (ferns and seed plants) and the lycophytes. We report here the genome sequence of the lycophyte Selaginella moellendorffii (Selaginella), the first nonseed vascular plant genome reported. By comparing gene content in evolutionarily diverse taxa, we found that the transition from a gametophyte- to a sporophyte-dominated life cycle required far fewer new genes than the transition from a nonseed vascular to a flowering plant, whereas secondary metabolic genes expanded extensively and in parallel in the lycophyte and angiosperm lineages. Selaginella differs in posttranscriptional gene regulation, including small RNA regulation of repetitive elements, an absence of the trans-acting small interfering RNA pathway, and extensive RNA editing of organellar genes.
We have investigated the structural dynamics in photoexcited 1,2-diiodotetrafluoroethane molecules (C2F4I2) in the gas phase experimentally using ultrafast electron diffraction and theoretically using FOMO-CASCI excited-state dynamics simulations. The molecules are excited by an ultraviolet femtosecond laser pulse to a state characterized by a transition from the iodine 5p perpendicular to orbital to a mixed 5p parallel to sigma hole and CF2 center dot antibonding orbital, which results in the cleavage of one of the carbon-iodine bonds. We have observed, with sub-Angstrom resolution, the motion of the nuclear wave packet of the dissociating iodine atom followed by coherent vibrations in the electronic ground state of the C2F4I radical. The radical reaches a stable classical (nonbridged) structure in less than 200 fs.
We studied the photoinduced ultrafast relaxation dynamics of the nucleobase thymine using gas-phase time-resolved photoelectron spectroscopy. By employing extreme ultraviolet pulses from high harmonic generation for photoionization, we substantially extend our spectral observation window with respect to previous studies. This enables us to follow relaxation of the excited state population all the way to low-lying electronic states including the ground state. In thymine, we observe relaxation from the optically bright (1)pi pi* state of thymine to a dark (1)n pi* state within 80 +/- 30 fs. The (1)n pi* state relaxes further within 3.5 +/- 0.3 ps to a low-lying electronic state. By comparison with quantum chemical simulations, we can unambiguously assign its spectroscopic signature to the (3)pi pi* state. Hence, our study draws a comprehensive picture of the relaxation mechanism of thymine including ultrafast intersystem crossing to the triplet manifold.
This study examined changes in sweet cherry buds of ‘Summit’ cultivar in four seasons (2011/12–2014/15) with respect to the nitrogen (N) content and the profile of eight free amino acids (asparagine (Asn), aspartic acid (Asp), isoleucine (Ile), glutamine (Gln), glutamic acid (Glu), arginine (Arg), alanine (Ala), histidine (His)). The presented results are to our knowledge the first under natural conditions in fruit tree orchards with a high temporal resolution from the dormant stage until cluster development. The N content in the buds from October, during endo- and ecodormancy until the beginning of ontogenetic development was a relatively stable parameter in each of the four seasons. The N accumulation into the buds began after ‘swollen bud’ and significant differences were visible at ‘green tip’ with an N content of 3.24, 3.12, 3.08, 2.40 which increased markedly to the mean of ‘tight’ and ‘open cluster’ by 3.77%, 3.78%, 3.44% and 3.10% in 2012–2015, respectively. In the buds, levels of asparagine were higher (up to 44 mg g−1 DW−1) than aspartic acid (up to 2 mg g−1 DW−1) and aspartic acid higher than isoleucine (up to 0.83 mg g−1 DW−1). Levels of glutamine were higher (up to 25 mg g−1 DW−1) than glutamic acid (up to 20 mg g−1 DW−1). The course of the arginine content was higher in 2011/12 compared to 2012/13, 2013/14 and 2014/15 which showed only slight differences. The alanine content in the buds was denoted in the four seasons only by relatively minor changes. The histidine content was higher in 2011/12 and 2012/13 compared to 2013/14 and 2014/15 which showed a comparable pattern. For 6 amino acids (Asn, Asp, Ile, Glu, Arg, Ala), the highest content was observed in 2012/13, the warmest period between swollen bud and open cluster. However in 2014/15, the season with the lowest mean temperature of 8.8 °C, only the content of Gln was the lowest. It was not possible to explain any seasonal differences in the amino acid content by environmental factors (air temperature) on the basis of few seasons. From none of the measured free amino acids could a clear determination of the date of endodormancy release (t1) or the beginning of the ontogenetic development (t1*) be derived. Therefore, these amino acids are no suitable markers to improve phenological models for the beginning of cherry blossom.
Background: Cigarette smoking has severe adverse health consequences in adults and in the offspring of mothers who smoke during pregnancy. One of the most widely reported effects of smoking during pregnancy is reduced birth weight which is in turn associated with chronic disease in adulthood. Epigenome-wide association studies have revealed that smokers show a characteristic "smoking methylation pattern", and recent authors have proposed that DNA methylation mediates the impact of maternal smoking on birth weight. The aims of the present study were to replicate previous reports that methylation mediates the effect of maternal smoking on birth weight, and for the first time to investigate whether the observed mediation effects are sex-specific in order to account for known sex-specific differences in methylation levels. Methods: Methylation levels in the cord blood of 313 newborns were determined using the Illumina HumanMethylation450K Beadchip. A total of 5,527 CpG sites selected on the basis of evidence from the literature were tested. To determine whether the observed association between maternal smoking and birth weight was attributable to methylation, mediation analyses were performed for significant CpG sites. Separate analyses were then performed in males and females. Results: Following quality control, 282 newborns eventually remained in the analysis. A total of 25 mothers had smoked consistently throughout the pregnancy. The birthweigt of newborns whose mothers had smoked throughout pregnancy was reduced by >200g. After correction for multiple testing, 30 CpGs showed differential methylation in the maternal smoking subgroup including top "smoking methylation pattern" genes AHRR, MYO1G, GFI1, CYP1A1, and CNTNAP2. The effect of maternal smoking on birth weight was partly mediated by the methylation of cg25325512 (PIM1); cg25949550 (CNTNAP2); and cg08699196 (ITGB7). Sex-specific analyses revealed a mediating effect for cg25949550 (CNTNAP2) in male newborns. Conclusion: The present data replicate previous findings that methylation can mediate the effect of maternal smoking on birth weight. The analysis of sex-dependent mediation effects suggests that the sex of the newborn may have an influence. Larger studies are warranted to investigate the role of both the identified differentially methylated loci and the sex of the newborn in mediating the association between maternal smoking during pregnancy and birth weight.
We present a comprehensive study of the Magellanic Cloud planetary nebula SMP 61 and of its nucleus, a Wolf- Rayet type star classified [WC 5-6]. The observational material consists of HST STIS spectroscopy and imaging, together with optical and UV spectroscopic data collected from the literature and infrared fluxes measured by IRAS. We have performed a detailed spectral analysis of the central star, using the Potsdam code for expanding atmospheres in non-LTE. For the central star we determine the following parameters: L-star = 10(3.96) L-., R-star = 0.42 R-., T-star = 87.5 kK, (M) over dot = 10(-6.12) M-. yr(-1), v(infinity) = 1400 km s(-1), and a clumping factor of D = 4. The elemental abundances by mass are X-He = 0.45, X-C = 0.52, X-N < 5 x 10(-5), X-O = 0.03, and X-Fe < 1 x 10(-4). The fluxes from the model stellar atmosphere were used to compute photoionization models of the nebula. All the available observations, within their error bars, were used to constrain these models. We find that the ionizing fluxes predicted by the stellar model are consistent with the fluxes needed by the photoionization model to reproduce the nebular emission, within the error margins. However, there are indications that the stellar model overestimates the number and hardness of Lyman continuum photons. The photoionization models imply a clumped density structure of the nebular material. The observed C III] lambda1909/C II lambda4267 line ratio implies the existence of carbon-rich clumps in the nebula. Such clumps are likely produced by stellar wind ejecta, possibly mixed with the nebular material. We discuss our results with regard to the stellar and nebular post-AGB evolution. The observed Fe-deficiency for the central star indicates that the material which is now visible on the stellar surface has been exposed to s-process nucleosynthesis during previous thermal pulses. The absence of nitrogen allows us to set an upper limit to the remaining H-envelope mass after a possible AGB final thermal pulse. Finally, we infer from the total amount of carbon detected in the nebula that the strong [WC] mass- loss may have been active only for a limited period during the post-AGB evolution
We present a determination of the optical/UV AGN luminosity function and its evolution, based on a large sample of faint (R < 24) QSOs identified in the COMBO-17 survey. Using multi-band photometry in 17 filters within 350 nm <~ lambdaobs <~ 930 nm, we could simultaneously determine photometric redshifts with an accuracy of sigmaz <0.03 and obtain spectral energy distributions. The redshift range covered by the sample is 1.2 < z < 4.8, which implies that even at z =~ 3, the sample reaches below luminosities corresponding to MB = -23, conventionally employed to distinguish between Seyfert galaxies and quasars. We clearly detect a broad plateau-like maximum of quasar activity around z =~ 2 and map out the smooth turnover between z =~ 1 and z =~ 4. The shape of the LF is characterised by some mild curvature, but no sharp ``break'' is present within the range of luminosities covered. Using only the COMBO-17 data, the evolving LF can be adequately described by either a pure density evolution (PDE) or a pure luminosity evolution (PLE) model. However, the absence of a strong L*-like feature in the shape of the LF inhibits a robust distinction between these modes. We present a robust estimate for the integrated UV luminosity generation by AGN as a function of redshift. We find that the LF continues to rise even at the lowest luminosities probed by our survey, but that the slope is sufficiently shallow that the contribution of low-luminosity AGN to the UV luminosity density is negligible. Although our sample reaches much fainter flux levels than previous data sets, our results on space densities and LF slopes are completely consistent with extrapolations from recent major surveys such as SDSS and 2QZ.
The central star of the PN LMC-N66 showed an impressive outburst in 1993 - 1994, returning to its initial conditions about 8 years later. Its spectrum resembles that of a WN4.5 star, being the only confirmed central star of planetary nebulae showing such a spectral type. Recent analysis for the central star parameters, performed by Hamann et al. (2003) is presented. They have found that the bolometric luminosity increased by a factor larger than 6, during the outburst. We discuss the possible scenarios which have been proposed to explain the exceptional stellar parameters and the outburst mechanism. The stellar characteristics and the morphology and kinematics of the planetary nebula suggest the presence of binary system (massive star with a less massive companion or, a white dwarf accreting matter in a close- binary system). These cases pose the least severe contradictions with observational constraints.
A large number and wide variety of lake ecosystem models have been developed and published during the past four decades. We identify two challenges for making further progress in this field. One such challenge is to avoid developing more models largely following the concept of others ('reinventing the wheel'). The other challenge is to avoid focusing on only one type of model, while ignoring new and diverse approaches that have become available ('having tunnel vision'). In this paper, we aim at improving the awareness of existing models and knowledge of concurrent approaches in lake ecosystem modelling, without covering all possible model tools and avenues. First, we present a broad variety of modelling approaches. To illustrate these approaches, we give brief descriptions of rather arbitrarily selected sets of specific models. We deal with static models (steady state and regression models), complex dynamic models (CAEDYM, CE-QUAL-W2, Delft 3D-ECO, LakeMab, LakeWeb, MyLake, PCLake, PROTECH, SALMO), structurally dynamic models and minimal dynamic models. We also discuss a group of approaches that could all be classified as individual based: super-individual models (Piscator, Charisma), physiologically structured models, stage-structured models and traitbased models. We briefly mention genetic algorithms, neural networks, Kalman filters and fuzzy logic. Thereafter, we zoom in, as an in-depth example, on the multi-decadal development and application of the lake ecosystem model PCLake and related models (PCLake Metamodel, Lake Shira Model, IPH-TRIM3D-PCLake). In the discussion, we argue that while the historical development of each approach and model is understandable given its 'leading principle', there are many opportunities for combining approaches. We take the point of view that a single 'right' approach does not exist and should not be strived for. Instead, multiple modelling approaches, applied concurrently to a given problem, can help develop an integrative view on the functioning of lake ecosystems. We end with a set of specific recommendations that may be of help in the further development of lake ecosystem models.
A large number and wide variety of lake ecosystem models have been developed and published during the past four decades. We identify two challenges for making further progress in this field. One such challenge is to avoid developing more models largely following the concept of others ('reinventing the wheel'). The other challenge is to avoid focusing on only one type of model, while ignoring new and diverse approaches that have become available ('having tunnel vision'). In this paper, we aim at improving the awareness of existing models and knowledge of concurrent approaches in lake ecosystem modelling, without covering all possible model tools and avenues. First, we present a broad variety of modelling approaches. To illustrate these approaches, we give brief descriptions of rather arbitrarily selected sets of specific models. We deal with static models (steady state and regression models), complex dynamic models (CAEDYM, CE-QUAL-W2, Delft 3D-ECO, LakeMab, LakeWeb, MyLake, PCLake, PROTECH, SALMO), structurally dynamic models and minimal dynamic models. We also discuss a group of approaches that could all be classified as individual based: super-individual models (Piscator, Charisma), physiologically structured models, stage-structured models and traitbased models. We briefly mention genetic algorithms, neural networks, Kalman filters and fuzzy logic. Thereafter, we zoom in, as an in-depth example, on the multi-decadal development and application of the lake ecosystem model PCLake and related models (PCLake Metamodel, Lake Shira Model, IPH-TRIM3D-PCLake). In the discussion, we argue that while the historical development of each approach and model is understandable given its 'leading principle', there are many opportunities for combining approaches. We take the point of view that a single 'right' approach does not exist and should not be strived for. Instead, multiple modelling approaches, applied concurrently to a given problem, can help develop an integrative view on the functioning of lake ecosystems. We end with a set of specific recommendations that may be of help in the further development of lake ecosystem models.
The concept of bonding and antibonding orbitals is fundamental in chemistry. The population of those orbitals and the energetic difference between the two reflect the strength of the bonding interaction. Weakening the bond is expected to reduce this energetic splitting, but the transient character of bond-activation has so far prohibited direct experimental access. Here we apply time-resolved soft X-ray spectroscopy at a free electron laser to directly observe the decreased bonding antibonding splitting following bond-activation using an ultrashort optical laser pulse.
Context: Three very massive clusters are known to reside in the Galactic center region, the Arches cluster, the Quintuplet cluster, and the central parsec cluster, each of them rich in young hot stars. With new infrared instruments, this region is no longer obscured for the observer. Aims: For understanding these very massive clusters, it is essential to know their stellar inventory. We provide comprehensive spectroscopic data for the stellar population of the Quintuplet cluster that will form the basis of subsequent spectral analyses. Methods. Spectroscopic observations of the Quintuplet cluster were obtained with the Integral Field Spectrograph SINFONI-SPIFFI at the ESO-VLT. The inner part of the Quintuplet cluster was covered by 22 slightly overlapping fields, each of them of 8 '' x 8 '' in size. The spectral range comprises the near-IR K-band from 1.94 to 2.45 mu m. The 3D data cubes of the individual fields were flux-calibrated and combined to one contiguous cube, from which the spectra of all detectable point sources were extracted. Results: We present a catalog of 160 stellar sources in the inner part of the Quintuplet cluster. The flux-calibrated K-band spectra of 98 early-type stars and 62 late-type stars are provided as Online Material. Based on these spectra, we assign spectral types to all detected sources and derive synthetic Ks-band magnitudes. Our sample is complete to about the 13th K-magnitude. We report the detection of two hitherto unknown Wolf- Rayet stars of late WC type (WC9 or later). Radial velocities are measured and employed to assess the cluster membership. The quantitative analysis of the early-type spectra will be the subject of a subsequent paper.
Completely positive, trace preserving (CPT) maps and Lindblad master equations are both widely used to describe the dynamics of open quantum systems. The connection between these two descriptions is a classic topic in mathematical physics. One direction was solved by the now famous result due to Lindblad, Kossakowski, Gorini and Sudarshan, who gave a complete characterisation of the master equations that generate completely positive semi-groups. However, the other direction has remained open: given a CPT map, is there a Lindblad master equation that generates it (and if so, can we find its form)? This is sometimes known as the Markovianity problem. Physically, it is asking how one can deduce underlying physical processes from experimental observations.
We give a complexity theoretic answer to this problem: it is NP-hard. We also give an explicit algorithm that reduces the problem to integer semi-definite programming, a well-known NP problem. Together, these results imply that resolving the question of which CPT maps can be generated by master equations is tantamount to solving P = NP: any efficiently computable criterion for Markovianity would imply P = NP; whereas a proof that P = NP would imply that our algorithm already gives an efficiently computable criterion. Thus, unless P does equal NP, there cannot exist any simple criterion for determining when a CPT map has a master equation description.
However, we also show that if the system dimension is fixed (relevant for current quantum process tomography experiments), then our algorithm scales efficiently in the required precision, allowing an underlying Lindblad master equation to be determined efficiently from even a single snapshot in this case.
Our work also leads to similar complexity-theoretic answers to a related long-standing open problem in probability theory.
Accumulating evidence suggests a role of FKBP5, a co-chaperone regulating the glucocorticoid receptor sensitivity, in the etiology of depression and anxiety disorders. Based on recent findings of altered amygdala activity following childhood adversity, the present study aimed at clarifying the impact of genetic variation in FKBP5 on threat-related neural activity and coupling as well as morphometric alterations in stress-sensitive brain systems. Functional magnetic resonance imaging during an emotional face-matching task was performed in 153 healthy young adults (66 males) from a high-risk community sample followed since birth. Voxel-based morphometry was applied to study structural alterations and DNA was genotyped for FKBP5 rs1360780. Childhood adversity was measured using retrospective self-report (Childhood Trauma Questionnaire) and by a standardized parent interview assessing childhood family adversity. Depression was assessed by the Beck Depression Inventory. There was a main effect of FKBP5 on the left amygdala, with T homozygotes showing the highest activity, largest volume and increased coupling with the left hippocampus and the orbitofrontal cortex (OFC). Moreover, amygdala-OFC coupling proved to be associated with depression in this genotype. In addition, our results support previous evidence of a gene-environment interaction on right amygdala activity with respect to retrospective assessment of childhood adversity, but clarify that this does not generalize to the prospective assessment. These findings indicated that activity in T homozygotes increased with the level of adversity, whereas the opposite pattern emerged in C homozygotes, with CT individuals being intermediate. The present results point to a functional involvement of FKBP5 in intermediate phenotypes associated with emotional processing, suggesting a possible mechanism for this gene in conferring susceptibility to stress-related disorders.
We show that coadsorbed oxygen atoms have a dramatic influence on the CO desorption dynamics from Ru(0001). In contrast to the precursor-mediated desorption mechanism on Ru(0001), the presence of surface oxygen modifies the electronic structure of Ru atoms such that CO desorption occurs predominantly via the direct pathway. This phenomenon is directly observed in an ultrafast pump-probe experiment using a soft x-ray free-electron laser to monitor the dynamic evolution of the valence electronic structure of the surface species. This is supported with the potential of mean force along the CO desorption path obtained from density-functional theory calculations. Charge density distribution and frozen-orbital analysis suggest that the oxygen-induced reduction of the Pauli repulsion, and consequent increase of the dative interaction between the CO 5 sigma and the charged Ru atom, is the electronic origin of the distinct desorption dynamics. Ab initio molecular dynamics simulations of CO desorption from Ru(0001) and oxygen-coadsorbed Ru(0001) provide further insights into the surface bond-breaking process.