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The maximum cosmic-ray energy achievable by acceleration by a relativistic blast wave is derived. It is shown that forward shocks from long gamma-ray bursts (GRBs) in the interstellar medium accelerate protons to large enough energies, and have a sufficient energy budget, to produce the Galactic cosmic-ray component just below the ankle at 4 x 10(18) eV, as per an earlier suggestion. It is further argued that, were extragalactic long GRBs responsible for the component above the ankle as well, the occasional Galactic GRB within the solar circle would contribute more than the observational limits on the outward flux from the solar circle, unless an avoidance scenario, such as intermittency and/or beaming, allows the present-day local flux to be less than 10(-3) of the average. Difficulties with these avoidance scenarios are noted.
We perform two-dimensional relativistic magnetohydrodynamic simulations of a mildly relativistic shock propagating through an inhomogeneous medium. We show that the postshock region becomes turbulent owing to preshock density inhomogeneity, and the magnetic field is strongly amplified due to the stretching and folding of field lines in the turbulent velocity field. The amplified magnetic field evolves into a filamentary structure in two-dimensional simulations. The magnetic energy spectrum is flatter than the Kolmogorov spectrum and indicates that a so-called small-scale dynamo is occurring in the postshock region. We also find that the amount of magnetic-field amplification depends on the direction of the mean preshock magnetic field, and the timescale of magnetic-field growth depends on the shock strength.
We study the propagation of ultra-high-energy cosmic rays (UHECRs) in the Galaxy, concentrating on the energy range below the ankle in the spectrum at 4 EeV. A Monte Carlo method, based on analytical solutions to the time-dependent diffusion problem, is used to account for intermittency by placing sources at random locations. Assuming a source population that scales with baryon mass density or star formation (e.g., long GRB), we derive constraints arising from intermittency and the observational limits on the composition and anisotropy. It is shown that the composition and anisotropy at 10(18) eV are difficult to reproduce and require that either (1) the particle mean free path is much smaller than a gyroradius, implying the escape time is very long, (2) the composition is heavier than suggested by recent Auger data, (3) the ultra-high-energy sub-ankle component is mostly extragalactic, or (4) we are living in a rare lull in the UHECR production, and the current UHECR intensity is far below the Galactic time average. We therefore recommend a strong observational focus on determining the UHECR composition around 10(18) eV.
Observations of the young supernova remnant RX J1713.7-3946 with the fermi large area telescope
(2011)
We present observations of the young supernova remnant (SNR) RX J1713.7-3946 with the Fermi Large Area Telescope (LAT). We clearly detect a source positionally coincident with the SNR. The source is extended with a best-fit extension of 0 degrees.55 +/- 0 degrees.04 matching the size of the non-thermal X-ray and TeV gamma-ray emission from the remnant. The positional coincidence and the matching extended emission allow us to identify the LAT source with SNR RX J1713.7-3946. The spectrum of the source can be described by a very hard power law with a photon index of Gamma = 1.5 +/- 0.1 that coincides in normalization with the steeper H. E. S. S.-detected gamma-ray spectrum at higher energies. The broadband gamma-ray emission is consistent with a leptonic origin as the dominant mechanism for the gamma-ray emission.
This paper presents the results of a research aimed to quantify suspended sediment transport in three experimental catchments in southern Chile, to compare measured suspended sediment load with estimated erosion using the Universal Soil Loss Equation (USLE) applied in a GIS environment and to validate de Modified Universal Soil Loss Equation (MUSLE) used to estimate suspended sediment loads from forest catchments. The catchments are Los Pinos (94.2 ha), Los Ulmos 1 (12.6 ha) and Los Ulmos 2 (17.7 ha). Soil losses estimated with USLE for the three catchments are higher than those measured in runoff experimental lots under bare soil conditions, which could indicate an overestimation of the LS calculated in GIS and the fact that the USLE model does not compute sediment deposit and storage within the catchment. A statistical significant relation was found between measured and estimated (MUSLE) suspended sediment load, which would indicate that this model could be applied to estimate suspended sediment load from small catchments in southern Chile.
We present the results of observations of the TeV binary LS I + 61 degrees 303 with the VERITAS telescope array between 2008 and 2010, at energies above 300 GeV. In the past, both ground-based gamma-ray telescopes VERITAS and MAGIC have reported detections of TeV emission near the apastron phases of the binary orbit. The observations presented here show no strong evidence for TeV emission during these orbital phases; however, during observations taken in late 2010, significant emission was detected from the source close to the phase of superior conjunction (much closer to periastron passage) at a 5.6 standard deviation (5.6 sigma) post-trials significance. In total, between 2008 October and 2010 December a total exposure of 64.5 hr was accumulated with VERITAS on LS I + 61 degrees 303, resulting in an excess at the 3.3 sigma significance level for constant emission over the entire integrated data set. The flux upper limits derived for emission during the previously reliably active TeV phases (i.e., close to apastron) are less than 5% of the Crab Nebula flux in the same energy range. This result stands in apparent contrast to previous observations by both MAGIC and VERITAS which detected the source during these phases at 10% of the Crab Nebula flux. During the two year span of observations, a large amount of X-ray data were also accrued on LS I + 61 degrees 303 by the Swift X-ray Telescope and the Rossi X-ray Timing Explorer Proportional Counter Array. We find no evidence for a correlation between emission in the X-ray and TeV regimes during 20 directly overlapping observations. We also comment on data obtained contemporaneously by the Fermi Large Area Telescope.
We present a comprehensive study of X-ray emission by, and wind properties of, massive magnetic early B-type stars. Dedicated XMM-Newton observations were obtained for three early-type B-type stars, xi(1) CMa, V2052 Oph and zeta Cas, with recently discovered magnetic fields. We report the first detection of X-ray emission from V2052 Oph and zeta Cas. The latter is one the softest X-ray sources among the early-type stars, while the former is one of the X-ray faintest. The observations show that the X-ray spectra of our programme stars are quite soft with the bulk of X-ray emitting material having a temperature of about 1 MK. We compile the complete sample of early B-type stars with detected magnetic fields to date and existing X-ray measurements, in order to study whether the X-ray emission can be used as a general proxy for stellar magnetism. We find that the X-ray properties of early massive B-type magnetic stars are diverse, and that hard and strong X-ray emission does not necessarily correlate with the presence of a magnetic field, corroborating similar conclusions reached earlier for the classical chemically peculiar magnetic Bp-Ap stars.
We analyse the ultraviolet (UV) spectra of five non-supergiant B stars with magnetic fields (tau Sco, beta Cep, xi(1) CMa, V2052 Oph and zeta Cas) by means of non-local thermodynamic equilibrium (non-LTE) iron-blanketed model atmospheres. The latter are calculated with the Potsdam Wolf-Rayet (PoWR) code, which treats the photosphere as well as the wind, and also accounts for X-rays. With the exception of t Sco, this is the first analysis of these stars by means of stellar wind models. Our models accurately fit the stellar photospheric spectra in the optical and the UV. The parameters of X-ray emission, temperature and flux are included in the model in accordance with observations. We confirm the earlier findings that the filling factors of X-ray emitting material are very high.
Our analysis reveals that the magnetic early-type B stars studied here have weak winds with velocities not significantly exceeding upsilon(esc). The mass-loss rates inferred from the analysis of UV lines are significantly lower than predicted by hydrodynamically consistent models. We find that, although the X-rays strongly affect the ionization structure of the wind, this effect is not sufficient in reducing the total radiative acceleration. When the X-rays are accounted for at the intensity and temperatures observed, there is still sufficient radiative acceleration to drive a stronger mass-loss than we empirically infer from the UV spectral lines.
The Chandra Carina Complex contains 200 known O- and B-type stars. The Chandra survey detected 68 of the 70 O stars and 61 of 127 known B0-B3 stars. We have assembled a publicly available optical/X-ray database to identify OB stars that depart from the canonical L-X/L-bol relation or whose average X-ray temperatures exceed 1 keV. Among the single O stars with high kT we identify two candidate magnetically confined wind shock sources: Tr16-22, O8.5 V, and LS 1865, O8.5 V((f)). The O4 III(fc) star HD 93250 exhibits strong, hard, variable X-rays, suggesting that it may be a massive binary with a period of > 30 days. The visual O2 If* binary HD 93129A shows soft 0.6 keV and hard 1.9 keV emission components, suggesting embedded wind shocks close to the O2 If* Aa primary and colliding wind shocks between Aa and Ab. Of the 11 known O-type spectroscopic binaries, the long orbital-period systems HD 93343, HD 93403, and QZ Car have higher shock temperatures than short-period systems such as HD 93205 and FO 15. Although the X-rays from most B stars may be produced in the coronae of unseen, low-mass pre-main-sequence companions, a dozen B stars with high L-X cannot be explained by a distribution of unseen companions. One of these, SS73 24 in the Treasure Chest cluster, is a new candidate Herbig Be star.
We have developed lists of likely B3-A0 stars (called "late B" stars) in the young cluster Trumpler 16. The following criteria were used: location within 3' of eta Car, an appropriate V and B - V combination, and proper motion (where available). Color and magnitude cuts have been made assuming an E(B - V) = 0.55 mag +/- 0.1, which is a good approximation close to the center of Trumpler 16. These lists have been cross-correlated with X-ray sources found in the Chandra Carina Complex Project. Previous studies have shown that only very rarely (if at all) do late main-sequence B stars produce X-rays. We present evidence that the X-ray-detected sources are binaries with low-mass companions, since stars less massive than 1.4 M-circle dot are strong X-ray sources at the age of the cluster. Both the median X-ray energies and X-ray luminosities of these sources are in good agreement with values for typical low-mass coronal X-ray sources. We find that 39% of the late B stars based on a list with proper motions have low-mass companions. Similarly, 32% of a sample without proper motions have low-mass companions. We discuss the X-ray detection completeness. These results on low-mass companions of intermediate-mass stars are complementary to spectroscopic and interferometric results and probe new parameter space of low-mass companions at all separations. They do not support a steeply rising distribution of mass ratios to low masses for intermediate-mass (5 M-circle dot) primaries, such as would be found by random pairing from the initial mass function.
X-ray observations of the double-binary OB-star system QZ Car (HD 93206) obtained with the Chandra X-ray Observatory over a period of roughly 2 years are presented. The respective orbits of systems A (O9.7 I+b2 v, P-A = 21 days) and B (O8 III+o9 v, P-B = 6 days) are reasonably well sampled by the observations, allowing the origin of the X-ray emission to be examined in detail. The X-ray spectra can be well fitted by an attenuated three-temperature thermal plasma model, characterized by cool, moderate, and hot plasma components at kT similar or equal to 0.2, 0.7, and 2 keV, respectively, and a circumstellar absorption of similar or equal to 0.2 x 10(22) cm(-2). Although the hot plasma component could be indicating the presence of wind-wind collision shocks in the system, the model fluxes calculated from spectral fits, with an average value of similar or equal to 7x10(-13) erg s(-1) cm(-2), do not show a clear correlation with the orbits of the two constituent binaries. A semi-analytical model of QZ Car reveals that a stable momentum balance may not be established in either system A or B. Yet, despite this, system B is expected to produce an observed X-ray flux well in excess of the observations. If one considers the wind of the O8 III star to be disrupted by mass transfer, the model and observations are in far better agreement, which lends support to the previous suggestion of mass transfer in the O8 III+o9 v binary. We conclude that the X-ray emission from QZ Car can be reasonably well accounted for by a combination of contributions mainly from the single stars and the mutual wind-wind collision between systems A and B.
We investigate the connections between the magnetic fields and the X-ray emission from massive stars. Our study shows that the X-ray properties of known strongly magnetic stars are diverse: while some comply to the predictions of the magnetically confined wind model, others do not. We conclude that strong, hard, and variable X-ray emission may be a sufficient attribute of magnetic massive stars, but it is not a necessary one. We address the general properties of X-ray emission from "normal" massive stars, especially the long standing mystery about the correlations between the parameters of X-ray emission and fundamental stellar properties. The recent development in stellar structure modeling shows that small-scale surface magnetic fields may be common. We suggest a "hybrid" scenario which could explain the X-ray emission from massive stars by a combination of magnetic mechanisms on the surface and shocks in the stellar wind. The magnetic mechanisms and the wind shocks are triggered by convective motions in sub-photospheric layers. This scenario opens the door for a natural explanation of the well established correlation between bolometric and X-ray luminosities.
We have obtained spectropolarimetric observations of two Wolf-Rayet stars, WR 135 (WC8) and WR 136 (WN6), with the 6-m Russian telescope in July 2009 and July 2010. We have studied the He II 5412 angstrom line region, which contains also the C IV 5469 angstrom line (for WR 135 only). Our goals were to investigate the rapid line-profile variability (LPV) in WR star spectra and to search for magnetic fields. We find small amplitude emission peaks moving from the center of He II line to its wings during the night in spectra of both stars. These emission peaks are likely a signature of accelerating clumps in the stellar wind. We obtained upper limits of the magnetic field strength: approximate to 200G for WR 135 and approximate to 50G for WR 136. (C) 2011 WILEY-VCH Verlag GmbH&Co. KGaA, Weinheim
We report on the status of our spectropolarimetric observations of massive stars. During the last years, we have discovered magnetic fields in many objects of the upper main sequence, including Be stars, beta Cephei and Slowly Pulsating B stars, and a dozen O stars. Since the effects of those magnetic fields have been found to be substantial by recent models, we are looking into their impact on stellar rotation, pulsation, stellar winds, and chemical abundances. Accurate studies of the age, environment, and kinematic characteristics of the magnetic stars are also promising to give us new insight into the origin of the magnetic fields. Furthermore, longer time series of magnetic field measurements allow us to observe the temporal variability of the magnetic field and to deduce the stellar rotation period and the magnetic field geometry. Studies of the magnetic field in massive stars are indispensable to understand the conditions controlling the presence of those fields and their implications on the stellar physical parameters and evolution.
The star zeta Ophiuchi is one of the brightest massive stars in the northern hemisphere and was intensively studied in various wavelength domains. The currently available observational material suggests that certain observed phenomena are related to the presence of a magnetic field. We acquired spectropolarimetric observations of zeta Oph with FORS 1 mounted on the 8-m Kueyen telescope of the VLT to investigate if a magnetic field is indeed present in this star. Using all available absorption lines, we detect a mean longitudinal magnetic field < B(z)>(all) = 141 +/- 45 G, confirming the magnetic nature of this star. We review the X-ray properties of zeta Oph with the aim to understand whether the X-ray emission of zeta Oph is dominated by magnetic or by wind instability processes.
Somatoform disorders are characterized by the presence of multiple somatic symptoms. Patients often experience different pain syndromes, and recent research suggests that sympathovagal balance is disturbed in somatoform patients, which could be related to alteration in pain sensitivity. This study analyzed how proposed sympathovagal imbalance interacts with objective pain assessment and the imagination of pain in somatoform disorders. Twenty-one patients (4 men) with diagnosed multisomatoform disorder were included in the study and matched to healthy control subjects. Autonomic measures and heart rate variability were assessed during baseline; pain perception was assessed by means of a pressure algometer and pain imagination. We found evidence for a sympathovagal imbalance in somatoform disorders characterized by low parasympathetic activation and high sympathetic activation during all conditions. Additionally, somatoform patients had reduced pain tolerance. Vagal withdrawal during pain assessment was more pronounced for healthy control subjects and correlated positively with assessed pain tolerance. During imagination somatoform, patients reported higher pain unpleasantness and higher pain intensity as compared to control subjects. We conclude that our data demonstrate an imbalance in sympathovagal activation and a hyposensitivity to pain tolerance stimuli in somatoform disorders. Parasympathetic reactivity might form crucial information when judging pain-associated affective-motivational components. Our results might be attributable to a deficient detection of visceral signals and might be a pathogenetic mechanism for the development of emotional difficulties and increased everyday vulnerability in somatoform patients.
Objectives: Alexithymia is characterized by a difficulty in identifying and describing one's emotions. Recent research has associated differential effects of the alexithymia facets to hypothalamic pituitary adrenal (HPA) axis markers during stress. This study aimed to analyze how the facets of alexithymia interact with autonomic reactivity as well as self- and observer-rated anxiety during a social stress task. Methods: With the use of a public-speaking paradigm, skin conductance levels (SCLs) and heart rate (HR) during the defined periods of baseline, preparation, stress, and recovery were assessed in 60 volunteers (42 females, mean age 22.8) categorized as having either high (HDA) or low (LDA) degrees of alexithymia. Results: We found smaller SCLs during preparation and speech in the HDA group. Regression analyses indicated that only the alexithymia facet "difficulty in describing feelings" (DDF) was associated with smaller electrodermal responses. In the HDA group, self- and observer-rated anxiety was higher in the HDA than in the LDA group, which was attributable to higher scores in the subscales "difficulty in identifying feelings" (DIF) and "externally oriented thinking" (EOT). Conclusions: Our data support and specify the decoupling hypothesis of alexithymia by showing that the facets of alexithymia are differentially related to autonomic reactivity as well as self- and observer-rated anxiety during social stress.
Objectives: Somatoform disorders are characterized by the presence of multiple somatic symptoms. While the accuracy of perceiving bodily signal (interoceptive awareness) is only sparely investigated in somatoform disorders, recent research has associated autonomic imbalance with cognitive and emotional difficulties in stress-related diseases. This study aimed to investigate how sympathovagal reactivity interacts with performance in recognizing emotions in faces (facial recognition task).
Methods: Using a facial recognition and appraisal task, skin conductance levels (SCLs), heart rate (HR) and heart rate variability (HRV) were assessed in 26 somatoform patients and compared to healthy controls. Interoceptive awareness was assessed by a heartbeat detection task.
Results: We found evidence for a sympathovagal imbalance in somatoform disorders characterized by low parasympathetic reactivity during emotional tasks and increased sympathetic activation during baseline. Somatoform patients exhibited a reduced recognition performance for neutral and sad emotional expressions only. Possible confounding variables such as alexithymia, anxiety or depression were taken into account. Interoceptive awareness was reduced in somatoform patients.
Conclusions: Our data demonstrate an imbalance in sympathovagal activation in somatoform disorders associated with decreased parasympathetic activation. This might account for difficulties in processing of sad and neutral facial expressions in somatoform patients which might be a pathogenic mechanism for increased everyday vulnerability.
Interoceptive awareness (IA) is associated with emotional experience, the processing of emotional stimuli, and activation of brain structures that monitor the internal visceral and emotional state of the organism. Alexithymia is characterized by difficulties in identifying and describing one's emotions and externally oriented thinking (EOT) and reflects impairments in emotional awareness and the regulation of emotions. This study examined the relationship between alexithymia and IA in a healthy population of N = 155 persons. A well-validated heartbeat perception task to measure interoceptive awareness, the Toronto Alexithymia Scale (TAS-20) and a depression questionnaire (BDI-2) were administered to 88 women and 67 men. IA was inversely associated with all features of alexithymia in the whole sample. When considering sex differences, IA turned out to be a relevant negative predictor for the EOT subscale only in men. This large sample investigation in a nonclinical population indicates that IA represents a relevant negative predictor for alexithymia.
Alexithymia describes difficulties to identify and describe one's emotions. Previous research focused on difficulties associated with the later processing stages of appraisal in alexithymia. We tested whether early processing deficits are apparent in alexithymic persons and whether these abnormalities contribute to later processing difficulties. 20 participants were selected and identified as either having high (HDA) or low (LDA) degrees of alexithymia. IAPS pictures were presented while EEG was recorded. For HDA subjects processing of emotional pictures was accompanied by reduced P1 amplitudes most pronounced for pleasant and neutral pictures. In response to unpleasant pictures the P3 amplitudes were reduced. These amplitude modulations were predicted only by one alexithymia facet. P1 amplitudes systematically covaried with P3 amplitudes supporting the assumption that deficits in early emotional processing contribute to later processing deficits.
Building biological models by inferring functional dependencies from experimental data is an important issue in Molecular Biology. To relieve the biologist from this traditionally manual process, various approaches have been proposed to increase the degree of automation. However, available approaches often yield a single model only, rely on specific assumptions, and/or use dedicated, heuristic algorithms that are intolerant to changing circumstances or requirements in the view of the rapid progress made in Biotechnology. Our aim is to provide a declarative solution to the problem by appeal to Answer Set Programming (ASP) overcoming these difficulties. We build upon an existing approach to Automatic Network Reconstruction proposed by part of the authors. This approach has firm mathematical foundations and is well suited for ASP due to its combinatorial flavor providing a characterization of all models explaining a set of experiments. The usage of ASP has several benefits over the existing heuristic algorithms. First, it is declarative and thus transparent for biological experts. Second, it is elaboration tolerant and thus allows for an easy exploration and incorporation of biological constraints. Third, it allows for exploring the entire space of possible models. Finally, our approach offers an excellent performance, matching existing, special-purpose systems.
Indoor position estimation constitutes a central task in home-based assisted living environments. Such environments often rely on a heterogeneous collection of low-cost sensors whose diversity and lack of precision has to be compensated by advanced techniques for localization and tracking. Although there are well established quantitative methods in robotics and neighboring fields for addressing these problems, they lack advanced knowledge representation and reasoning capacities. Such capabilities are not only useful in dealing with heterogeneous and incomplete information but moreover they allow for a better inclusion of semantic information and more general homecare and patient-related knowledge. We address this problem and investigate how state-of-the-art localization and tracking methods can be combined with Answer Set Programming, as a popular knowledge representation and reasoning formalism. We report upon a case-study and provide a first experimental evaluation of knowledge-based position estimation both in a simulated as well as in a real setting.
We introduce an approach to detecting inconsistencies in large biological networks by using answer set programming. To this end, we build upon a recently proposed notion of consistency between biochemical/genetic reactions and high-throughput profiles of cell activity. We then present an approach based on answer set programming to check the consistency of large-scale data sets. Moreover, we extend this methodology to provide explanations for inconsistencies by determining minimal representations of conflicts. In practice, this can be used to identify unreliable data or to indicate missing reactions.
Preference handling and optimization are indispensable means for addressing nontrivial applications in Answer Set Programming (ASP). However, their implementation becomes difficult whenever they bring about a significant increase in computational complexity. As a consequence, existing ASP systems do not offer complex optimization capacities, supporting, for instance, inclusion-based minimization or Pareto efficiency. Rather, such complex criteria are typically addressed by resorting to dedicated modeling techniques, like saturation. Unlike the ease of common ASP modeling, however, these techniques are rather involved and hardly usable by ASP laymen. We address this problem by developing a general implementation technique by means of meta-prpogramming, thus reusing existing ASP systems to capture various forms of qualitative preferences among answer sets. In this way, complex preferences and optimization capacities become readily available for ASP applications.
The key empirical property of the X-ray emission from O stars is a strong correlation between the bolometric and X-ray luminosities. In the framework of the Chandra Carina Complex Project, 129 O and B stars have been detected as X-ray sources; 78 of those, all with spectral type earlier than B3, have enough counts for at least a rough X-ray spectral characterization. This leads to an estimate of the L-X-L-BOL ratio for an exceptional number of 60 O stars belonging to the same region and triples the number of Carina massive stars studied spectroscopically in X-rays. The derived log(L-X/L-BOL) is -7.26 for single objects, with a dispersion of only 0.21 dex. Using the properties of hot massive stars listed in the literature, we compare the X-ray luminosities of different types of objects. In the case of O stars, the L-X-L-BOL ratios are similar for bright and faint objects, as well as for stars of different luminosity classes or spectral types. Binaries appear only slightly harder and slightly more luminous in X-rays than single objects; the differences are not formally significant (at the 1% level), except for the L-X-L-BOL ratio in the medium (1.0-2.5 keV) energy band. Weak-wind objects have similar X-ray luminosities but they display slightly softer spectra compared with "normal" O stars with the same bolometric luminosity. Discarding three overluminous objects, we find a very shallow trend of harder emission in brighter objects. The properties of the few B stars bright enough to yield some spectral information appear to be different overall (constant X-ray luminosities, harder spectra), hinting that another mechanism for producing X-rays, besides wind shocks, might be at work. However, it must be stressed that the earliest and X-ray brightest among these few detected objects are similar to the latest O stars, suggesting a possibly smooth transition between the two processes.
The Great Nebula in Carina provides an exceptional view into the violent massive star formation and feedback that typifies giant H II regions and starburst galaxies. We have mapped the Carina star-forming complex in X-rays, using archival Chandra data and a mosaic of 20 new 60 ks pointings using the Chandra X-ray Observatory's Advanced CCD Imaging Spectrometer, as a testbed for understanding recent and ongoing star formation and to probe Carina's regions of bright diffuse X-ray emission. This study has yielded a catalog of properties of > 14,000 X-ray point sources;> 9800 of them have multiwavelength counterparts. Using Chandra's unsurpassed X-ray spatial resolution, we have separated these point sources from the extensive, spatially-complex diffuse emission that pervades the region; X-ray properties of this diffuse emission suggest that it traces feedback from Carina's massive stars. In this introductory paper, we motivate the survey design, describe the Chandra observations, and present some simple results, providing a foundation for the 15 papers that follow in this special issue and that present detailed catalogs, methods, and science results.
Following up on research suggesting an age-related reduction in the rightward extent of the perceptual span during reading (Rayner, Castelhano, & Yang, 2009), we compared old and young adults in an N + 2-boundary paradigm in which a nonword preview of word N + 2 or word N + 2 itself is replaced by the target word once the eyes cross an invisible boundary located after word N. The intermediate word N + I was always three letters long. Gaze durations on word N + 2 were significantly shorter for identical than nonword N + 2 preview both for young and for old adults, with no significant difference in this preview benefit. Young adults, however, did modulate their gaze duration on word N more strongly than old adults in response to the difficulty of the parafoveal word N + I. Taken together, the results suggest a dissociation of preview benefit and parafoveal-on-foveal effect. Results are discussed in terms of age-related decline in resilience towards distributed processing while simultaneously preserving the ability to integrate parafoveal information into foveal processing. As such, the present results relate to proposals of regulatory compensation strategies older adults use to secure an overall reading speed very similar to that of young adults.
A general mean annual temperature increase accompanied with substantial glacial retreat has been noted on the Tibetan Plateau during the last two centuries but most significantly since the mid 1950s. These climate trends are particularly apparent on the southeastern Tibetan Plateau. However, the Tibetan Plateau (due to its heterogeneous mountain landscape) has very complex and spatially differing temperature and precipitations patterns. As a result, intensive palaeolimnological investigations are necessary to decipher these climatic patterns and to understand ecological responses to recent environmental change. Here we present palaeolimnological results from a (210)Pb/(137)Cs-dated sediment core spanning approximately the last 200 years from a remote high-mountain lake (LC6 Lake, working name) on the southeastern Tibetan Plateau. Sediment profiles of diatoms, organic variables (TOC, C:N) and grain size were investigated. The (210)Pb record suggests a period of rapid sedimentation, which might be linked to major tectonic events in the region ca. 1950. Furthermore, unusually high (210)Pb supply rates over the last 50 years suggest that the lake has possibly been subjected to increasing precipitation rates, sediment focussing and/or increased spring thaw. The majority of diatom taxa encountered in the core are typical of slightly acidic to circumneutral, oligotrophic, electrolyte-poor lakes. Diatom species assemblages were rich, and dominated by Cyclotella sp., Achnanthes sp., Aulacoseira sp. and fragilarioid taxa. Diatom compositional change was minimal over the 200-year period (DCCA = 0.85 SD, p = 0.59); only a slightly more diverse but unstable diatom assemblage was recorded during the past 50 years. The results indicate that large-scale environmental changes recorded in the twentieth century (i.e. increased precipitation and temperatures) are likely having an affect on the LC6 Lake, but so far these impacts are more apparent on the lake geochemistry than on the diatom flora. Local and/or regional peculiarities, such as increasing precipitation and cloud cover, or localized climatic phenomena, such as negative climate feedbacks, might have offset the effects of increasing mean surface temperatures.
A sediment core from a closed basin lake (Lake Kuhai) from the semi-arid northeastern Tibetan Plateau was analysed for its pollen record to infer Lateglacial and post glacial vegetation and climatic change. At Lake Kuhai five major vegetation and climate shifts could be identified: (1) a change from cold and dry to relatively warmer and more moist conditions at 14.8 cal ka BP: (2) a shift to conditions of higher effective moisture and a stepwise warmer climate at 13.6 cal ka BP; (3) a further shift with increased moisture but colder conditions at 7.0 cal ka BP; (4) a return to a significantly colder and drier phase at 6.3 cal ka BP; (5) and a change back to relatively moist conditions at 2.2 cal ka BP. To investigate the response of lake ecosystems to climatic changes, statistical comparisons were made between the lake Kuhai pollen record and a formerly published ostracod and sedimentary record from the same sediment core. Furthermore, the pollen and lacustrine proxies from lake Kuhai were compared to a previously published pollen and lacustrine record from the nearby Lake Koucha. Statistical comparisons were done using non-metric multidimensional scaling and Procrustes rotation. Differences between lacustrine and pollen responses within one site could be identified, suggesting that lacustrine proxies are partly influenced by in-lake or local catchment processes, whereas the terrestrial (pollen) proxy shows a regional climate signal. Furthermore, we found regional differences in proxy response between lake Kuhai and Lake Koucha. Both pollen records reacted in similar ways to major environmental changes, with minor differences in the timing and magnitude of these changes. The lacustrine records were very similar in their timing and magnitude of response to environmental changes; however, the nature of change was at times very distinct. To place the current study in the context of Holocene moisture evolution across the Tibetan Plateau, we applied a five-scale moisture index and average link clustering to all available continuous palaeo-climate records from the Tibetan Plateau to possibly find general patterns of moisture evolution on the Plateau. However, no common regional pattern of moisture evolution during the Holocene could be detected. We assign this to complex responses of different proxies to environmental and atmospheric changes in an already very heterogeneous mountain landscape where minor differences in elevation can cause strong variation in microenvironments.
Previous studies based on fossil pollen data have reported significant changes in vegetation on the alpine Tibetan Plateau during the Holocene. However, since the relative proportions of fossil pollen taxa are largely influenced by individual pollen productivities and the dispersal characteristics, such inferences on vegetation have the potential to be considerably biased. We therefore examined the modern pollen-vegetation relationships for four common pollen species on the Tibetan Plateau, using Extended R-value (ERV) models. Assuming an average radius of 100 m for the sampled lakes, we estimated the relevant source area of pollen (RSAP) to be 2200 m (which represents the distance from the lake). Using Poaceae as the reference taxa (Pollen Productivity Estimate, PPE = 1), ERV Submodel 2 derived relative high PPEs for the steppe and desert taxa: 2.079 +/- 0.432 for Artemisia and 5.379 +/- 1.077 for Chenopodiaceae. Low PPEs were estimated for the Cyperaceae (1.036 +/- 0.012). whose plants are characteristic of the alpine Kobresia meadows. Applying these PPEs to four fossil pollen sequences since the Late Glacial, the plant abundances on the central and north-eastern Tibetan Plateau were quantified using the "Regional Estimates of Vegetation Abundance from Large Sites" (REVEALS) model. The proportions of Artemisia and Chenopodiaceae were greatly reduced compared to their original pollen percentages in the reconstructed vegetation, owing to their high productivities and their dispersal characteristics, while Cyperaceae showed a relative increase in the vegetation reconstruction. The reconstructed vegetation assemblages of the four pollen sequence sites always yielded smaller compositional species turnovers than suggested by the pollen spectra, as revealed by Detrended Canonical Correspondence Analyses (DCCA) of the Holocene sections. The strength of the previously reported vegetation changes may therefore have been overestimated, which indicates the importance of taking into account pollen-vegetation relationships when discussing the potential drivers (such as climate, land use, atmospheric CO(2) concentrations) and implications (such as for land surface-climate feedbacks, carbon storage, and biodiversity) of vegetation change.
Rapid population growth and economic development have led to increased anthropogenic pressures on the Tibetan Plateau, causing significant land cover changes with potentially severe ecological consequences. To assess whether or not these pressures are also affecting the remote montane-boreal lakes on the SE Tibetan Plateau, fossil pollen and diatom data from two lakes were synthesized. The interplay of aquatic and terrestrial ecosystem response was explored in respect to climate variability and human activity over the past 200 years. Nonmetric multidimensional scaling and Procrustes rotation analysis were undertaken to determine whether pollen and diatom responses in each lake were similar and synchronous. Detrended canonical correspondence analysis was used to develop quantitative estimates of compositional species turnover. Despite instrumental evidence of significant climatic warming on the southeastern Plateau, the pollen and diatom records indicate very stable species composition throughout their profiles and show only very subtle responses to environmental changes over the past 200 years. The compositional species turnover (0.36-0.94 SD) is relatively low in comparison to the species reorganizations known from the periods during the mid-and early-Holocene (0.64-1.61 SD) on the SE Plateau, and also in comparison to turnover rates of sediment records from climate-sensitive regions in the circum arctic. Our results indicate that climatically induced ecological thresholds are not yet crossed, but that human activity has an increasing influence, particularly on the terrestrial ecosystem in our study area. Synergistic processes of post-Little Ice Age warming, 20th century climate warming and extensive reforestations since the 19th century have initiated a change from natural oak-pine forests to seminatural, likely less resilient pine-oak forests. Further warming and anthropogenic disturbances would possibly exceed the ecological threshold of these ecosystems and lead to severe ecological consequences.
Simulating biome distribution on the Tibetan Plateau using a modified global vegetation model
(2011)
We used a regionally modified global vegetation model (BIOME4-Tibet) to simulate biome distribution on the Tibetan Plateau under current climate conditions derived from regional meteorological observations. The bioclimatic limits (mean temperatures of the coldest and warmest months, minimum temperature, growing degree-days on 5 degrees C and 0 degrees C bases) for some key alpine plant functional types (temperate deciduous and conifer trees, boreal deciduous and conifer trees, desert woody plants, tundra shrubs, cold herbaceous plants, and lichens/forbs) were redefined based on regional vegetation-climate relationships. Modern vegetation maps confirmed that the BIOME4-Tibet model does a better job of simulating biome patterns on the plateau (gridcell agreement 52%) than the original BIOME4 model (35%). This improved model enhanced our ability to simulate temperate conifer forest, cool conifer and mixed forest, evergreen taiga, temperate xerophytic shrubland, temperate grassland and desert, and steppe and shrub tundra biomes, but made a negligible or reduced difference to the prediction of temperate deciduous forest, warm-temperate mixed forest, and three tundra biomes (erect dwarf-shrub tundra, prostrate dwarf-shrub tundra, and cushion forb, lichen, and moss tundra). Future modification of the vegetation model, by increasing the number of shrub and herb plant functional types, re-parameterization of more precise bioclimatic constraints, and improved representation of soil, permafrost, and snow processes, will be needed to better characterize the distribution of alpine vegetation on the Tibetan Plateau.
Enhancing the resolution and accuracy of surface ground-penetrating radar (GPR) reflection data by inverse filtering to recover a zero-phased band-limited reflectivity image requires a deconvolution technique that takes the mixed-phase character of the embedded wavelet into account. In contrast, standard stochastic deconvolution techniques assume that the wavelet is minimum phase and, hence, often meet with limited success when applied to GPR data. We present a new general-purpose blind deconvolution algorithm for mixed-phase wavelet estimation and deconvolution that (1) uses the parametrization of a mixed-phase wavelet as the convolution of the wavelet's minimum-phase equivalent with a dispersive all-pass filter, (2) includes prior information about the wavelet to be estimated in a Bayesian framework, and (3) relies on the assumption of a sparse reflectivity. Solving the normal equations using the data autocorrelation function provides an inverse filter that optimally removes the minimum-phase equivalent of the wavelet from the data, which leaves traces with a balanced amplitude spectrum but distorted phase. To compensate for the remaining phase errors, we invert in the frequency domain for an all-pass filter thereby taking advantage of the fact that the action of the all-pass filter is exclusively contained in its phase spectrum. A key element of our algorithm and a novelty in blind deconvolution is the inclusion of prior information that allows resolving ambiguities in polarity and timing that cannot be resolved using the sparseness measure alone. We employ a global inversion approach for non-linear optimization to find the all-pass filter phase values for each signal frequency. We tested the robustness and reliability of our algorithm on synthetic data with different wavelets, 1-D reflectivity models of different complexity, varying levels of added noise, and different types of prior information. When applied to realistic synthetic 2-D data and 2-D field data, we obtain images with increased temporal resolution compared to the results of standard processing.
Three-dimensional hydrostratigraphic models from ground-penetrating radar and direct-push data
(2011)
Three-dimensional models of hydraulic conductivity and porosity are essential to understand and simulate groundwater flow in heterogeneous geological environments. However, considering the inherent limitations of traditional hydrogeological field methods in terms of resolution, alternative field approaches are needed to establish such 3-D models with sufficient accuracy. In this study, we developed a workflow combining 3-D structural information extracted from ground penetrating radar (GPR) images with 1-D in situ physical-property estimates from direct-push (DP) logging to construct a 3-D hydrostratigraphic model. To illustrate this workflow, we collected an similar to 70 m x 90 m 100 MHz 3-D GPR data set over a shallow sedimentary aquifer system resolving six different GPR facies down to similar to 15 m depth. DP logs of the relative dielectric permittivity, the relative hydraulic conductivity, the cone resistance, the sleeve friction and the pore pressure provided crucial data (1) to establish a GPR velocity model for 3-D depth migration and to check the time-to-depth conversion of the GPR data, and (2) to construct a 3-D hydrostratigraphic model. This model was built by assigning porosity values, which were computed from the DP relative dielectric permittivity logs, and DP relative hydraulic conductivity estimates to the identified GPR facies. We conclude that the integration of 3-D GPR structural images and 1-D DP logs of target physical parameters provides an efficient way for detailed 3-D subsurface characterization as needed, for example, for groundwater flow simulations.
We present the Potsdam Parallel Ice Sheet Model (PISM-PIK), developed at the Potsdam Institute for Climate Impact Research to be used for simulations of large-scale ice sheet-shelf systems. It is derived from the Parallel Ice Sheet Model (Bueler and Brown, 2009). Velocities are calculated by superposition of two shallow stress balance approximations within the entire ice covered region: the shallow ice approximation (SIA) is dominant in grounded regions and accounts for shear deformation parallel to the geoid. The plug-flow type shallow shelf approximation (SSA) dominates the velocity field in ice shelf regions and serves as a basal sliding velocity in grounded regions. Ice streams can be identified diagnostically as regions with a significant contribution of membrane stresses to the local momentum balance. All lateral boundaries in PISM-PIK are free to evolve, including the grounding line and ice fronts. Ice shelf margins in particular are modeled using Neumann boundary conditions for the SSA equations, reflecting a hydrostatic stress imbalance along the vertical calving face. The ice front position is modeled using a subgrid-scale representation of calving front motion (Albrecht et al., 2011) and a physically-motivated calving law based on horizontal spreading rates. The model is tested in experiments from the Marine Ice Sheet Model Intercomparison Project (MISMIP). A dynamic equilibrium simulation of Antarctica under present-day conditions is presented in Martin et al. (2011).
We present a dynamic equilibrium simulation of the ice sheet-shelf system on Antarctica with the Potsdam Parallel Ice Sheet Model (PISM-PIK). The simulation is initialized with present-day conditions for bed topography and ice thickness and then run to steady state with constant present-day surface mass balance. Surface temperature and sub-shelf basal melt distribution are parameterized. Grounding lines and calving fronts are free to evolve, and their modeled equilibrium state is compared to observational data. A physically-motivated calving law based on horizontal spreading rates allows for realistic calving fronts for various types of shelves. Steady-state dynamics including surface velocity and ice flux are analyzed for whole Antarctica and the Ronne-Filchner and Ross ice shelf areas in particular. The results show that the different flow regimes in sheet and shelves, and the transition zone between them, are captured reasonably well, supporting the approach of superposition of SIA and SSA for the representation of fast motion of grounded ice. This approach also leads to a natural emergence of sliding-dominated flow in stream-like features in this new 3-D marine ice sheet model.
A parameterization for the motion of ice-shelf fronts on a Cartesian grid in finite-difference land-ice models is presented. The scheme prevents artificial thinning of the ice shelf at its edge, which occurs due to the finite resolution of the model. The intuitive numerical implementation diminishes numerical dispersion at the ice front and enables the application of physical boundary conditions to improve the calculation of stress and velocity fields throughout the ice-sheet-shelf system. Numerical properties of this subgrid modification are assessed in the Potsdam Parallel Ice Sheet Model (PISM-PIK) for different geometries in one and two horizontal dimensions and are verified against an analytical solution in a flow-line setup.
Background Athlete's heart as an adaptation to long-time and intensive endurance training can vary considerably between individuals. Genetic polymorphisms in the cardiological relevant insulin-like growth factor 1 (IGF1) signalling pathway seem to have an essential influence on the extent of physiological hypertrophy.
Objective Analysis of polymorphisms in the genes of IGF1, IGF1 receptor (IGF1R) and the negative regulator of the cardiac IGF1 signalling pathway, myostatin (MSTN), and their relation to left ventricular mass (LVM) of endurance athletes.
Methods In 110 elite endurance athletes or athletes with a high amount of endurance training (75 males and 35 females) and 27 male controls, which were examined by echocardiographic imaging methods and ergometric exercise-testing, the genotypes of a cytosine-adenine repeat polymorphism in the promoter region of the IGF1 gene and a G/A substitution at position 3174 in the IGF1R gene were determined. Additionally, a mutation screen of the MSTN gene was performed.
Results The polymorphisms in the IGF1 and the IGF1R gene showed a significant relation to the LVM for male (IGF1: p=0.003; IGF1R: p=0.01), but not for female athletes. The same applies to a previously unnoticed polymorphism in the 1 intron of the MSTN gene, whose deletion allele (AAA -> AA) appears to increase the myostatic effect (p=0.015). Moreover, combinations of the polymorphisms showed significant synergistic effects on the LVM of the male athletes.
Conclusions The authors' results argue for the importance of polymorphisms in the IGF1 signalling pathway in combination with MSTN on the variant degree of physiological hypertrophy of male athletes.
Ground-based gamma-ray astronomy has had a major breakthrough with the impressive results obtained using systems of imaging atmospheric Cherenkov telescopes. Ground-based gamma-ray astronomy has a huge potential in astrophysics, particle physics and cosmology. CTA is an international initiative to build the next generation instrument, with a factor of 5-10 improvement in sensitivity in the 100 GeV-10 TeV range and the extension to energies well below 100 GeV and above 100 TeV. CTA will consist of two arrays (one in the north, one in the south) for full sky coverage and will be operated as open observatory. The design of CTA is based on currently available technology. This document reports on the status and presents the major design concepts of CTA.
The conformational equilibria of 3-methyl-3-silathiane 5, 3-fluoro-3-methyl-3-silathiane 6 and 1-fluoro-1-methyl-1- silacyclohexane 7 have been studied using low temperature C-13 NMR spectroscopy and theoretical calculations. The conformer ratio at 103 K was measured to be about 5(ax):5(eq) - 15:85, 6(ax):6(eq)-50:50 and 7(ax):7(eq)-25:75. The equatorial preference of the methyl group in 5 (0.35 kcal mol(-1)) is much less than in 3-methylthiane 9 (1.40 kcal mol(-1)) but somewhat greater than in 1-methyl-1-silacyclohexane 1 (0.23 kcal mol(-1)). Compounds 5-7 have low barriers to ring inversion: 5.65 (ax -> eq) and 6.0 kcal mol(-1) (eq -> ax) (5), 4.6 kcal mol(-1) (6), 5.1 kcal mol(-1) (Me-ax -> Me-eq), and 5.4 kcal mol(-1) (Me-eq -> Me-ax) (7). Steric effects cannot explain the observed conformational preferences, like equal population of the two conformers of 6, or different conformer ratio for 5 and 7. Actually, by employing the NBO analysis, in particular, considering the second order perturbation energies, vicinal stereoelectronic interactions between the Si-X and adjacent C-H, C-S, and C-C bonds proved responsible.
On utilise de plus en plus les tests de verification pour confirmer l'atteinte du consommation d'oxygene maximale (VO(2 max)). Toutefois, le moment et les methodes d'evaluation varient d'un groupe de travail a l'autre. Les objectifs de cette etude sont de constater si on peut administrer un test de verification apres un test d'effort progressif ou s'il est preferable de le faire une autre journee et si on peut determiner le VO(2 max) tout de meme lors de la premiere seance chez des sujets ne repondant pas au critere de verification. Quarante sujets (age, 24 +/- 4 ans; VO(2 max), 50 +/- 7 mL center dot min(-1)center dot kg(-1)) participent a un test d'effort progressif sur tapis roulant et, 10 min plus tard, a un test de verification (VerifDay1) a 110 % de la velocite maximale (v(max)). Le critere de verification est un VO(2) de pointe au VerifDay1 < 5,5 % a la valeur retenue au test d'effort progressif. Les sujets ne repondant pas au critere de verification passent un autre test de verification, mais a 115 % du VerifDay1', et ce, 10 min plus tard pour confirmer le VO(2) de pointe du VerifDay1 en tant que VO(2 max). Tous les autres sujets repassent le VerifDay1 a un jour different (VerifDay2). Six sujets sur quarante ne repondent pas au critere de verification. Chez quatre d'entre eux, on confirme l'atteinte du VO(2 max) au VerifDay1'. Le VO(2) de pointe au VerifDay1 est equivalent a celui du VerifDay2 (3722 +/- 991 mL center dot min(-1) comparativement a 3752 +/- 995 mL center dot min(-1), p = 0,56), mais le temps jusqu'a l'epuisement est significativement plus long au VerifDay2 (2:06 +/- 0:22 min:s comparativement a 2:42 +/- 0:38 min:s, p < 0,001, n = 34). Le VO(2) de pointe obtenu au test de verification ne semble pas conditionne par un test d'effort progressif maximal prealable. On peut donc realiser le test d'effort progressif et le test de verification lors de la meme seance d'evaluation. Chez presque tous les individus ne repondant pas au critere de verification, on peut determiner le VO(2 max) au moyen d'un autre test de verification plus intense.
We implemented an experimental scheme for ultrafast x-ray diffraction at storage rings based on a laser-driven Bragg-switch that shortens the x-ray pulses emitted from an undulator. The increased time-resolution is demonstrated by observing changes of intensity, position and width of the diffraction peaks of a La(0.7)Sr(0.3)MnO(3)/SrTiO(3) superlattice sample after optical excitation, i.e., by quantitatively measuring the propagation of an expansion wave through the sample. These experimental transients with timescales of 35 to 60 ps evidence a reduction of the x-ray pulse duration by a factor of two.
The change from outbreeding to selfing is one of the most frequent evolutionary transitions in flowering plants. It is often accompanied by characteristic morphological and functional changes to the flowers (the selfing syndrome), including reduced flower size and opening. Little is known about the developmental and genetic basis of the selfing syndrome, as well as its adaptive significance. Here, we address these issues using the two closely related species Capsella grandiflora (the ancestral outbreeder) and red shepherd's purse (Capsella rubella, the derived selfer). In C. rubella, petal size has been decreased by shortening the period of proliferative growth. Using interspecific recombinant inbred lines, we show that differences in petal size and flower opening between the two species each have a complex genetic basis involving allelic differences at multiple loci. An intraspecific cross within C. rubella suggests that flower size and opening have been decreased in the C. rubella lineage before its extensive geographical spread. Lastly, by generating plants that likely resemble the earliest ancestors of the C. rubella lineage, we provide evidence that evolution of the selfing syndrome was at least partly driven by selection for efficient self-pollination. Thus, our studies pave the way for a molecular dissection of selfing-syndrome evolution.
Salt diapirs are common features of sedimentary basins. If close to the surface, they can bear a significant hazard due to possible dissolution sinkholes, karst formation and collapse dolines or their influence on ground water chemistry. We investigate the potential of ambient vibration techniques to map the 3-D roof morphology of shallow salt diapirs. Horizontal-to-vertical (H/V) spectral peaks are derived at more than 900 positions above a shallow diapir beneath the city area of Hamburg, Germany, and are used to infer the depth of the first strong impedance contrast. In addition, 15 small-scale array measurements are conducted at different positions in order to compute frequency-dependent phase velocities of Rayleigh waves between 0.5 and 25 Hz. The dispersion curves are inverted together with the H/V peak frequency to obtain shear-wave velocity profiles. Additionally, we compare the morphology derived from H/V and array measurements to borehole lithology and a gravity-based 3-D model of the salt diapir. Both methods give consistent results in agreement with major features indicated by the independent data. An important result is that H/V and array measurements are better suited to identify weathered gypsum caprocks or gypsum floaters, while gravity-derived models better sample the interface between sediments and homogeneous salt. We further investigate qualitatively the influence of the 3-D subsurface topography of the salt diapir on the validity of local 1-D inversion results from ambient vibration dispersion curve inversion.
1-Oxo-1,3-dithiolane (4) and its cis- andtrans-2-methyl (5,6), -4-methyl (7,8) and -5-methyl (9,10) derivatives were prepared by oxidizing the corresponding 1,3-dithiolanes (1-3) with NaIO4 in water. The oxides were purified and their isomers separated using thin layer chromatography. The structural characterization was carried out with 1H and 13C NMR spectroscopy and molecular modelling. The sulfoxides 4-6 and 8-10 attain two S(1) type envelopes (sometimes slightly distorted) the S=Oax envelope greatly dominating. Cis-4-methyl-1-oxo-1,3-dithiolane is a special case exhibiting both two closely related S=Oax (30 and 27%) as well as S=Oeq (21 and 22%) forms [S(1) and C(4) envelopes, respectively]. The relative energies of these conformations, the values of 1H-1H coupling constants and 1H and 13C chemical shifts were estimated by computational methods and they support well the conclusions based on the experimental data.
The conformational equilibria of 3-methyl-3-silathiane 5, 3-fluoro-3-methyl-3-silathiane 6 and 1-fluoro-1- methyl-1-silacyclohexane 7 have been studied using low temperature 13C NMR spectroscopy and theoretical calculations. The conformer ratio at 103;K was measured to be about 5ax:5eq;=;15:85, 6ax:6eq;=;50:50 and 7ax:7eq;=;25:75. The equatorial preference of the methyl group in 5 (0.35;kcal;mol;1) is much less than in 3-methylthiane 9 (1.40;kcal;mol;1) but somewhat greater than in 1-methyl-1- silacyclohexane 1 (0.23;kcal;mol;1). Compounds 5-7 have low barriers to ring inversion: 5.65 (ax;;;eq) and 6.0 (eq;;;ax) kcal mol;1 (5), 4.6 (6), 5.1 (Meax;;;Meeq) and 5.4 (Meeq;;;Meax) kcal;mol;1 (7). Steric effects cannot explain the observed conformational preferences, like equal population of the two conformers of 6, or different conformer ratio for 5 and 7. Actually, by employing the NBO analysis, in particular, considering the second order perturbation energies, vicinal stereoelectronic interactions between the Si-X and adjacent C-H, C-S, and C-C bonds proved responsible.
Rotation about the single bond adjoining the aryl and fluorene moieties in 9-arylfluorenes can be frozen out on the NMR timescale if methyl groups are located at either one or both of the ortho positions of the aryl substituent. In the ground-state of these rotamers, the planes of the aryl and fluorene moieties are perpendicular to each other and the methyl protons are either shielded or deshielded, respectively, due to the ringe current effect of the fluorene moiety. This anisotropic effect on the 1H chemical shifts of the methyl protons has been quantified on the basis of through- space NMR shieldings (TSNMRS) and subsequently _______ compared with the experimentally observed chemical shift differences _____. In this context, the experimental anisotropic effects of functional groups in the !H NMR have proven to quantitatively be the molecular response property of theoretical spatial nucleus independent chemical shieldings (NICS). Differences between _______ and _____ were, for the first time, also quantified as arising from steric compression.
The syn and anti isomers of cis,cis-tricyclo[5.3.0.0(2.6)]dec-3-ene derivatives have been synthesized and their (1)H and (13)C NMR spectra unequivocally analyzed. Both their structures and their (1)H and (13)C NMR chemical shifts were calculated by DFT, the latter two calculations employing the GIAO perturbation method. Additionally, calculated NMR shielding values were partitioned into Lewis and non-Lewis contributions from the bonds and lone pairs involved in the molecules by accompanying NBO and NCS analyses. The differences between the syn and anti isomers were evaluated with respect to steric and spatial hyperconjugation interactions.
Synthesis and conformational analysis of new naphth[1,2-e][1,3]oxazino[3,4-c]quinazoline derivatives
(2011)
The inversion of the flexible five-membered ring in tetrahydrodicyclopentadiene (TH-DCPD) derivatives remains fast on the NMR timescale even at 103 K. Since the intramolecular exchange process could not be sufficiently slowed for spectroscopic evaluation, the conformational equilibrium is thus inaccessible by dynamic NMR. Fortunately, the spatial magnetic properties of the aryl and carbonyl groups attached to the DCPD skeleton can be employed in order to evaluate the conformational state of the system. In this context, the anisotropic effects of the functional groups in the H-1 NMR spectra prove to be the molecular response property of spatial nucleus independent chemical shifts (NICS).
Resonant soft x-ray diffraction (RSXD) with femtosecond (fs) time resolution is a powerful tool for disentangling the interplay between different degrees of freedom in strongly correlated electron materials. It allows addressing the coupling of particular degrees of freedom upon an external selective perturbation, e. g., by an optical or infrared laser pulse. Here, we report a time-resolved RSXD experiment from the prototypical correlated electron material magnetite using soft x-ray pulses from the free-electron laser FLASH in Hamburg. We observe ultrafast melting of the charge-orbital order leading to the formation of a transient phase, which has not been observed in equilibrium.
Numerous pollen records across the upper Tibetan Plateau indicate that in the early part of the mid-Holocene, Kobresia-rich high-alpine meadows invaded areas formerly dominated by alpine steppe vegetation rich in Artemisia. We examine climate, land-use, and CO2 concentration changes as potential drivers for this marked vegetation change. The climatic implications of these vegetational shifts are explored by applying a newly developed pollen-based moisture-balance transfer-function to fossil pollen spectra from Koucha Lake on the north-eastern Tibetan Plateau (34.0 degrees N; 97.2 degrees E; 4540 m a.s.l.) and Xuguo Lake on the central Tibetan Plateau (31.97 degrees N; 90.3 degrees E; 4595 m a.s.l.), both located in the meadow-steppe transition zone. Reconstructed moisture-balances were markedly reduced (by similar to 150-180 mm) during the early mid-Holocene compared to the late-Holocene. These findings contradict most other records from the Indian monsoonal realm and also most non-pollen records from the Tibetan Plateau that indicate a rather wet early- and mid-Holocene. The extent and timing of anthropogenic land-use involving grazing by large herbivores on the upper Tibetan Plateau and its possible impacts on high-alpine vegetation are still mostly unknown due to the lack of relevant archaeological evidence. Arguments against a mainly anthropogenic origin of Kobresia high-alpine meadows are the discovery of the widespread expansion of obviously 'natural' Kobresia meadows on the south-eastern Tibetan Plateau during the Lateglacial period indicating the natural origin of this vegetation type and the lack of any concurrence between modern human-driven vegetation shifts and the mid-Holocene compositional changes. Vegetation types are known to respond to atmospheric CO2 concentration changes, at least on glacial-interglacial scales. This assumption is confirmed by our sensitivity study where we model Tibetan vegetation at different CO2 concentrations of 375 (present-day), 260 (early Holocene), and 650 ppm (future scenario) using the BIOME4 global vegetation model. Previous experimental studies confirm that vegetation growing on dry and high sites is particularly sensitive to CO2 changes. Here we propose that the replacement of drought-resistant alpine steppes (that are well adapted to low CO2 concentrations) by mesic Kobresia meadows can, at least, be partly interpreted as a response to the increase of CO2 concentration since 7000 years ago due to fertilization and water-saving effects. Our hypothesis is corroborated by former CO2 fertilization experiments performed on various dry grasslands and by the strong recent expansion of high-alpine meadows documented by remote sensing studies in response to recent CO2 increases.
New materials for polymer organic light-emitting diodes based on a polymer matrix doped with phosphorescent dyes are presented. The matrix system is based on a polystyrene backbone bearing either electron or hole transporting units at the 4-position of each repeat unit. Random copolymers and polymer blend systems of the homopolymers are prepared, both with 62 wt.% electron transporting and 38 wt.% hole transporting moieties. Adding a green electrophosphorescent dye to the polymer matrix leads to efficient electroluminescence with a maximum current efficiency of 35 cd/A and a maximum external quantum efficiency of up to 10%. The mobilities of electrons and holes in the dye-doped copolymer, as measured by transient electroluminescence, are around 5 x 10(-5) and 5 x 10(-6) cm(2)/Vs, respectively, while the blend of the two homopolymers exhibits slightly lower mobilities of both types of carriers. Despite the pronounced imbalance of charge transport, the device performance is almost entirely limited by the phosphorescence efficiency of the dye, implying balanced flow of holes and electrons into the active region. Also, devices made with either the copolymer or the blend yielded very similar device efficiencies, despite the noticeable difference in electron and hole mobility. It is proposed that electrons are efficiently blocked at the interlayer and that the so-formed space charge assists the balanced injection of holes.
We report on synchrotron-based high-repetition rate ultrafast x-ray diffraction (UXRD) experiments monitoring the transport of heat from an epitaxial La(0.7)Sr(0.3)MnO(3)/SrTiO(3) superlattice (SL) into the substrate on timescales from 100 ps to 4 mu s. Transient thermal lattice expansion was determined with an accuracy of 10(-7), corresponding to a sensitivity to temperature changes down to 0.01 K. We follow the heat flow within the SL and into the substrate after the impulsive laser heating leads to a small temperature rise of Delta T = 6 K. The transient lattice temperature can be simulated very well using the bulk heat conductivities. This contradicts the interpretation of previous UXRD measurements, which predicted a long-lasting expansion of SrRuO(3) for more than 200 ps. The disagreement could be resolved by assuming that the heat conductivity changes in the first hundred picoseconds.
Intrinsically disordered proteins (IDPs) constitute a substantial part of cellular proteomes. Late embryogenesis abundant (LEA) proteins are mostly predicted to be IDPs associated with dehydration tolerance in many plant, animal and bacterial species. Their functions, however, are largely unexplored and also their structure and interactions with potential target molecules have only recently been experimentally investigated in a small number of proteins. Here, we report on the structure and interactions with membranes of the Pfam LEA_1 protein LEA18 from the higher plant Arabidopsis thaliana. This functionally uncharacterized positively charged protein specifically aggregated and destabilized negatively charged liposomes. Isothermal titration calorimetry showed binding of the protein to both charged and uncharged membranes. LEA18 alone was largely unstructured in solution. While uncharged membranes had no influence on the secondary structure of LEA18, the protein partially folded into ;-sheet structure in the presence of negatively charged liposomes. These data suggest that LEA18 does not function as a membrane stabilizing protein, as suggested for other LEA proteins. Instead, a possible function of LEA18 could be the composition-dependent modulation of membrane stability, e.g., during signaling or vesicle-mediated transport. Research Highlights
While several empirical and theoretical studies have clearly shown the negative effects of climate or landscape changes on population and species survival only few of them addressed combined and correlated consequences of these key environmental drivers. This also includes positive landscape changes such as active habitat management and restoration to buffer the negative effects of deteriorating climatic conditions. In this study, we apply a conceptual spatial modelling approach based on functional types to explore the effects of both positive and negative correlations between changes in habitat and climate conditions on the survival of spatially structured populations. We test the effect of different climate and landscape change scenarios on four different functional types that represent a broad spectrum of species characterised by their landscape level carrying capacity, the local population turnover rates at the patch level (K-strategies vs. r-strategies) and dispersal characterstics. As expected, simulation results show that correlated landscape and climatic changes can accelerate (in case of habitat loss or degradation) or slow down (in case of habitat gain or improvement) regional species extinction. However, the strength of the combined changes depends on local turnover at the patch level, the overall landscape capacity of the species, and its specific dispersal characteristics. Under all scenarios of correlated changes in habitat and climate conditions we found the highest sensitivity for functional types representing species with a low landscape capacity but a high population growth rate and a strong density regulation causing a high turnover at the local patch level.
The relative importance of habitat loss or habitat degradation, in combination with climate deterioration, differed among the functional types. However, an increase in regional capacity revealed a similar response pattern: For all types, habitat improvement led to higher survival times than habitat gain, i.e. the establishment of new habitat patches. This suggests that improving local habitat quality at a regional scale is a more promising conservation strategy under climate change than implementing new habitat patches. This conceptual modelling study provides a general framework to better understand and support the management of populations prone to complex environmental changes.
In this study we investigated the effect of different land use options (wildlife versus livestock) on species richness of plants and reptiles in the protected Kgalagadi Transfrontier Park (KTP) versus adjacent non-protected farmland within the same savanna habitat type (Aoub dune veld) in the southern Kalahari, South Africa. Our results show that both plant and reptile species richness as well as plant cover and reptile abundance was significantly higher in the protected KTP than in the non-protected farmland. The higher proportion of shrub but lower proportions of perennial grass cover, herb cover, and herb species richness in the farmland can be explained by higher stocking rates and the differences in feeding behaviour between native wild ungulates (e.g. Antidorcas marsupialis, Oryx gazella) and livestock (mainly sheep). The reptile's prey availability and microhabitats (perennial grass tussocks and rodent burrows) for thermoregulation and protection against predators were significantly lower in the farmland. To conclude, our results clearly show that long term effects of different land use options (wildlife in protected KTP versus extensive livestock production in the non-protected farmland) even within the same habitat type have led to significant changes in vegetation composition, availability of microhabitat structures and in the reptile community.
Synthesis and conformational analysis of new naphth[1,2-e][1,3]oxazino[3,4-c]quinazoline derivatives
(2011)
A new highly functionalized aminonaphthol derivative, 1-(amino(2-aminophenyl)methyl)-2-naphthol (4), was synthesized by the reaction of 2-naphthol, 2-nitrobenzaldehyde and tert-butyl carbamate or benzyl carbamate, followed by reduction and/or removal of the protecting group. The aminonaphthol derivative thus obtained was converted in ring-closure reactions with formaldehyde. benzaldehyde and/or phosgene to the corresponding naphth[1,2-e][1,3]oxazino[3,4-c]quinazoline derivatives. The conformational analysis of some derivatives by NMR spectroscopy and accompanying molecular modelling are also reported.
A conformational study of N-acetyl glucosamine derivatives utilizing residual dipolar couplings
(2011)
The conformational analyses of six non-rigid N-acetyl glucosamine (NAG) derivatives employing residual dipolar couplings (RDCs) and NOEs together with molecular dynamics (MD) simulations are presented. Due to internal dynamics we had to consider different conformer ratios existing in solution. The good quality of the correlation between theoretically and experimentally obtained RDCs show the correctness of the calculated conformers even if the ratios derived from the MD simulations do not exactly meet the experimental data. If possible, the results were compared to former published data and commented.
How much is too much? - a case report of nutritional supplement use of a high-performance athlete
(2011)
Although dietary nutrient intake is often adequate, nutritional supplement use is common among elite athletes. However, high-dose supplements or the use of multiple supplements may exceed the recommended daily allowance (RDA) of particular nutrients or even result in a daily intake above tolerable upper limits (UL). The present case report presents nutritional intake data and supplement use of a highly trained male swimmer competing at international level. Habitual energy and micronutrient intake were analysed by 3 d dietary reports. Supplement use and dosage were assessed, and total amount of nutrient supply was calculated. Micronutrient intake was evaluated based on RDA and UL as presented by the European Scientific Committee on Food, and maximum permitted levels in supplements (MPL) are given. The athlete's diet provided adequate micronutrient content well above RDA except for vitamin D. Simultaneous use of ten different supplements was reported, resulting in excess intake above tolerable UL for folate, vitamin E and Zn. Additionally, daily supplement dosage was considerably above MPL for nine micronutrients consumed as artificial products. Risks and possible side effects of exceeding UL by the athlete are discussed. Athletes with high energy intake may be at risk of exceeding UL of particular nutrients if multiple supplements are added. Therefore, dietary counselling of athletes should include assessment of habitual diet and nutritional supplement intake. Educating athletes to balance their diets instead of taking supplements might be prudent to prevent health risks that may occur with long-term excess nutrient intake.
Amphiphilic linear ternary block copolymers (ABC) were synthesized in three consecutive steps by the reversible addition fragmentation chain transfer (RAFT) method. Using oligo(ethylene oxide) monomethyl ether acrylate, benzyl acrylate, and 1H,1H-perfluorobutyl acrylate monomers, the triblock copolymers consist of a hydrophilic (A), a lipophilic (B), and a fluorophilic (C) block. The block sequence of the triphilic copolymers was varied systematically to provide all possible variations: ABC, ACB, and BAC. All blocks have glass transition temperatures below 0 degrees C. Self-assembly into spherical micellar aggregates was observed in aqueous solution, where hydrophobic cores undergo local phase separation into various ultrastructures as shown by cryogenic transmission electron microscopy (cryo-TEM). Selective solubilization of substantial quantities of hydrocarbon and fluorocarbon low molar mass compounds by the lipophilic and fluorophilic block, respectively, is demonstrated.
1-Oxo-1,3-dithiolane (4) and its cis- and trans-2-methyl (5,6), -4-methyl (7,8) and -5-methyl (9,10) derivatives were prepared by oxidizing the corresponding 1,3-dithiolanes (1-3) with NaIO(4) in water. The oxides were purified and their isomers separated using thin layer chromatography. The structural characterization was carried out with (1)H and (13)C NMR spectroscopy and molecular modelling. The sulfoxides 4-6 and 8-10 attain two S(1) type envelopes (sometimes slightly distorted) the S=O(ax) envelope greatly dominating. Cis-4-methyl-1-oxo-1,3-dithiolane is a special case exhibiting both two closely related S=O(ax) (30 and 27%) as well as S=O(eq) (21 and 22%) forms [S(1) and C(4) envelopes, respectively]. The relative energies of these conformations, the values of (1)H-(1)H coupling constants and (1)H and (13)C chemical shifts were estimated by computational methods and they support well the conclusions based on the experimental data.
Rotation about the single bond adjoining the aryl and fluorene moieties in 9-arylfluorenes can be frozen out on the NMR timescale if methyl groups are located at either one or both of the ortho positions of the aryl substituent. In the ground-state of these rotamers, the planes of the aryl and fluorene moieties are perpendicular to each other and the methyl substituents are consequently positioned either above the fluorene moiety or in-plane with it; thus, the methyl protons are either shielded or deshielded, respectively, due to the ring current effect of the fluorene moiety. This anisotropic effect on the H-1 chemical shifts of the methyl protons has been quantified on the basis of through-space NMR shieldings (TSNMRS) and subsequently Delta delta(calcd) compared with the experimentally observed chemical shift differences, Delta delta(exp). In this context, the experimental anisotropic effects of functional groups in the H-1 NMR have proven to quantitatively be the molecular response property of theoretical spatial nucleus independent chemical shieldings (NICS). Differences between Delta delta(calcd) and Delta delta(exp) were, for the first time, also quantified as arising from steric compression.
N-Substituted 4,4-dimethyl-4-silathiane 1-sulfimides Me2Si(sic)S=NSO2R [R- Ph (1), CF3 (2)] were studied experimentally by variable temperature dynamic NMR spectroscopy. Low temperature 13 C NMR spectra of the two compounds revealed the frozen ring inversion process and approximately equal content of the axial and equatorial conformers. Calculations of the 4-silathiane derivatives 1, 2 and the model compound [R Me (3)] as well as their carbon analogs, the similarly N-substituted (sic)S=NSO2R thiane 1-sulfimides [R = Ph (4), CF3 (5), Me (6)] at the DFT/B3LYP/6-311G(d, p) level in the gas phase and in chloroform solution using the PCM model at the same level of theory showed a strong dependence of the relative stability of the conformer on the solvent. The electronegative trifluoromethyl group increases the relative stability of the axial conformer.
Adequate energy intake in adolescent athletes is considered important. Total energy expenditure (TEE) can be calculated from resting energy expenditure (REE) and physical activity level (PAL). However, validated PAL recommendations are available for adult athletes only. Purpose was to comprise physical activity data in adolescent athletes and to establish PAL recommendations for this population. In 64 competitive athletes (15.3 +/- 1.5yr, 20.5 +/- 2.0kg/m(2)) and 14 controls (15.1 +/- 1.1yr, 21 +/- 2.1kg/m(2)) TEE was calculated using 7-day activity protocols validated against doubly-labeled water. REE was estimated by Schofield-HW equation, and PAL was calculated as TEE:REE. Observed PAL in adolescent athletes (1.90 +/- 0.35) did not differ compared with controls (1.84 +/- 0.32, p = .582) and was lower than recommended for adult athletes by the WHO. In conclusion, applicability of PAL values recommended for adult athletes to estimate energy requirements in adolescent athletes must be questioned. Instead, a PAL range of 1.75-2.05 is suggested.
The syn and anti isomers of cis,cis-tricyclo[5.3.0.0(2.6)]dec-3-ene derivatives have been synthesized and their (1)H and (13)C NMR spectra unequivocally analyzed. Both their structures and their (1)H and (13)C NMR chemical shifts were calculated by DFT, the latter two calculations employing the GIAO perturbation method. Additionally, calculated NMR shielding values were partitioned into Lewis and non-Lewis contributions from the bonds and lone pairs involved in the molecules by accompanying NBO and NCS analyses. The differences between the syn and anti isomers were evaluated with respect to steric and spatial hyperconjugation interactions.
The proportion of the axial conformer increases in the ax reversible arrow eq equilibrium of cyclohexyl acetates (RCOOC(6)H(11), R reversible arrow Me, Et, iPr, tBu, CH(2)Cl, CHCl(2), CO(3). CH(2)Br, CHBr(2), CBr(3)) with the increasing size of the acyloxy substitution. The nature of this unexpected steric substituent effect, which is opposite to general stereochemical concepts, was studied by means of ab kiln MO method, accompanied by NBO and isodesmic calculations. NBO parameters seem to be good descriptors for quantitative prediction of the experimental Delta G degrees value of the title conformational equilibrium. The origin and propagation of the substituent effect of the polar substitutions (CH(2)Cl, CHCl(2), CCl(3), CH(2)Br, CHBr(2), CBr(3)) differ, however, from those of the pure alkyl (Me, Et, iPr, tBu) substitutions. The Delta G degrees value of the polar derivatives depends on the qC8 charges, on the occupation of the sigma(center dot)(C1-07) orbital and on the hyperconjugative pi(center dot)(c=O) -> sigma(center dot)(C10-X) and sigma(center dot)(C10-X) -> pi(center dot)(c=O) interactions. The substituent sensitivity of these NBC parameters for the two conformers differ to the effect that the ax reversible arrow eq equilibrium is shifted to the left side with increasing electron withdrawing character of the acyloxy group. The Delta G degrees values of the alkyl derivatives are interpreted in terms of the calculated dipole moments. The destabilization in the non-polar medium (the experimental Delta G degrees values used were measured in CD(2)Cl(2)) due to the enhanced dipolar character is more prominent in the case of the equatorial alkyl conformers. As the consequence, the ax reversible arrow eq equilibrium is shifted to the left despite the increasing size of the R group when going from Me to tBu substitution.
Background: Athletes may differ in their resting metabolic rate (RMR) from the general population. However, to estimate the RMR in athletes, prediction equations that have not been validated in athletes are often used. The purpose of this study was therefore to verify the applicability of commonly used RMR predictions for use in athletes. Methods: The RMR was measured by indirect calorimetry in 17 highly trained rowers and canoeists of the German national teams (BMI 24 +/- 2 kg/m(2), fat-free mass 69 +/- 15 kg). In addition, the RMR was predicted using Cunningham (CUN) and Harris-Benedict (HB) equations. A two-way repeated measures ANOVA was calculated to test for differences between predicted and measured RMR (alpha = 0.05). The root mean square percentage error (RMSPE) was calculated and the Bland-Altman procedure was used to quantify the bias for each prediction. Results: Prediction equations significantly underestimated the RMR in males (p < 0.001). The RMSPE was calculated to be 18.4% (CUN) and 20.9% (HB) in the entire group. The bias was 133 kcal/24 h for CUN and 202 kcal/24 h for HB. Conclusions: Predictions significantly underestimate the RMR in male heavyweight endurance athletes but not in females. In athletes with a high fat-free mass, prediction equations might therefore not be applicable to estimate energy requirements. Instead, measurement of the resting energy expenditure or specific prediction equations might be needed for the individual heavyweight athlete.
The spatial magnetic properties (through space NMR shieldings-TSNMRS) of metal complexes (with ligands such as acetylacetone, 3-hydroxy-pyran(4) one) and "metallobenzenes" have been calculated by the GIAO perturbation method and visualized as Iso-Chemical-Shielding Surfaces (ICSS) of various sizes and directions. The TSNMRS values, thus obtained, can be successfully employed to quantify and visualize partial aromaticity of the metallocyclic ring by comparison with the spatial magnetic properties of the corresponding non-complexed ligands in comparable structural and electronic situations, and benzene, respectively. Because anisotropy/ring current effects in H-1 NMR spectra proved to be the molecular response property of TSNMRS, the results obtained concerning partial "chelatoaromaticity" are experimentally ensured.
The inversion of the flexible five-membered ring in tetrahydrodicyclopentadiene (TH-DCPD) derivatives remains fast on the NMR timescale even at 103 K. Since the intramolecular exchange process could not be sufficiently slowed for spectroscopic evaluation, the conformational equilibrium is thus inaccessible by dynamic NMR. Fortunately, the spatial magnetic properties of the aryl and carbonyl groups attached to the DCPD skeleton can be employed in order to evaluate the conformational state of the system. In this context, the anisotropic effects of the functional groups in the H-1 NMR spectra prove to be the molecular response property of spatial nucleus independent chemical shifts (NICS).
Neuromuscular control in functional situations and possible impairments due to Achilles tendinopathy are not well understood.
Thirty controls (CO) and 30 runners with Achilles tendinopathy (AT) were tested on a treadmill at 3.33 m s(-1) (12 km h(-1)). Neuromuscular activity of the lower leg (tibialis anterior, peroneal, and gastrocnemius muscle) was measured by surface electromyography. Mean amplitude values (MAV) for the gait cycle phases preactivation, weight acceptance and push-off were calculated and normalised to the mean activity of the entire gait cycle.
MAVs of the tibialis anterior did not differ between CO and AT in any gait cycle phase. The activation of the peroneal muscle was lower in AT in weight acceptance (p = 0.006), whereas no difference between CO and AT was found in preactivation (p = 0.71) and push-off (p = 0.83). Also, MAVs of the gastrocnemius muscle did not differ between AT and CO in preactivity (p = 0.71) but were reduced in AT during weight acceptance (p = 0.001) and push-off (p = 0.04).
Achilles tendinopathy does not seem to alter pre-programmed neural control but might induce mechanical deficits of the lower extremity during weight bearing (joint stability). This should be addressed in the therapy process of AT.
We propose a novel strategy for global sensitivity analysis of ordinary differential equations. It is based on an error-controlled solution of the partial differential equation (PDE) that describes the evolution of the probability density function associated with the input uncertainty/variability. The density yields a more accurate estimate of the output uncertainty/variability, where not only some observables (such as mean and variance) but also structural properties (e.g., skewness, heavy tails, bi-modality) can be resolved up to a selected accuracy. For the adaptive solution of the PDE Cauchy problem we use the Rothe method with multiplicative error correction, which was originally developed for the solution of parabolic PDEs. We show that, unlike in parabolic problems, conservation properties necessitate a coupling of temporal and spatial accuracy to avoid accumulation of spatial approximation errors over time. We provide convergence conditions for the numerical scheme and suggest an implementation using approximate approximations for spatial discretization to efficiently resolve the coupling of temporal and spatial accuracy. The performance of the method is studied by means of low-dimensional case studies. The favorable properties of the spatial discretization technique suggest that this may be the starting point for an error-controlled sensitivity analysis in higher dimensions.
During preclinical development of a gestagenic drug, a significant increase of the total plasma concentration was observed after multiple dosing in pregnant rabbits, but not in (non-pregnant) rats or monkeys. We used a PBPK modeling approach in combination with in vitro and in vivo data to address the question to what extent the pharmacologically active free drug concentration is affected by pregnancy induced processes. In human, a significant increase in sex hormone binding globulin (SHBG), and an induction of hepatic CYP3A4 as well as plasma esterases is observed during pregnancy. We find that the observed increase in total plasma trough levels in rabbits can be explained as a combined result of (i) drug accumulation due to multiple dosing, (ii) increase of the binding protein SHBG, and (iii) clearance induction. For human, we predict that free drug concentrations in plasma would not increase during pregnancy above the steady state trough level for non-pregnant women.
The human immunodeficiency virus (HIV) can be suppressed by highly active anti-retroviral therapy (HAART) in the majority of infected patients. Nevertheless, treatment interruptions inevitably result in viral rebounds from persistent, latently infected cells, necessitating lifelong treatment. Virological failure due to resistance development is a frequent event and the major threat to treatment success. Currently, it is recommended to change treatment after the confirmation of virological failure. However, at the moment virological failure is detected, drug resistant mutants already replicate in great numbers. They infect numerous cells, many of which will turn into latently infected cells. This pool of cells represents an archive of resistance, which has the potential of limiting future treatment options. The objective of this study was to design a treatment strategy for treatment-naive patients that decreases the likelihood of early treatment failure and preserves future treatment options. We propose to apply a single, pro-active treatment switch, following a period of treatment with an induction regimen. The main goal of the induction regimen is to decrease the abundance of randomly generated mutants that confer resistance to the maintenance regimen, thereby increasing subsequent treatment success. Treatment is switched before the overgrowth and archiving of mutant strains that carry resistance against the induction regimen and would limit its future re-use. In silico modelling shows that an optimal trade-off is achieved by switching treatment at & 80 days after the initiation of antiviral therapy. Evaluation of the proposed treatment strategy demonstrated significant improvements in terms of resistance archiving and virological response, as compared to conventional HAART. While continuous pro-active treatment alternation improved the clinical outcome in a randomized trial, our results indicate that a similar improvement might also be reached after a single pro-active treatment switch. The clinical validity of this finding, however, remains to be shown by a corresponding trial.
Fractures of the calcaneus are often associated with serious permanent disability, a considerable reduction in quality of life, and high socio-economic cost. Although some studies have already reported changes in plantar pressure distribution after calcaneal fracture, no investigation has yet focused on the patient's strength and postural control.
Method: 60 patients with unilateral, operatively treated, intra-articular calcaneal fractures were clinically and biomechanically evaluated >1 year postoperatively (physical examination, SF-36, AOFAS score, lower leg isokinetic strength, postural control and gait analysis including plantar pressure distribution). Results were correlated to clinical outcome and preoperative radiological findings (Bohler angle, Zwipp and Sanders Score).
Results: Clinical examination revealed a statistically significant reduction in range of motion at the tibiotalar and the subtalar joint on the affected side. Additionally, there was a statistically significant reduction of plantar flexor peak torque of the injured compared to the uninjured limb (p < 0.001) as well as a reduction in postural control that was also more pronounced on the initially injured side (standing duration 4.2 +/- 2.9 s vs. 7.6 +/- 2.1 s, p < 0.05). Plantar pressure measurements revealed a statistically significant pressure reduction at the hindfoot (p = 0.0007) and a pressure increase at the midfoot (p = 0.0001) and beneath the lateral forefoot (p = 0.037) of the injured foot.
There was only a weak correlation between radiological classifications and clinical outcome but a moderate correlation between strength differences and the clinical questionnaires (CC 0.27-0.4) as well as between standing duration and the clinical questionnaires. Although thigh circumference was also reduced on the injured side, there was no important relationship between changes in lower leg circumference and strength suggesting that measurement of leg circumference may not be a valid assessment of maximum strength deficits. Self-selected walking speed was the parameter that showed the best correlation with clinical outcome (AOFAS score).
Conclusion: Calcaneal fractures are associated with a significant reduction in ankle joint ROM, plantar flexion strength and postural control. These impairments seem to be highly relevant to the patients. Restoration of muscular strength and proprioception should therefore be aggressively addressed in the rehabilitation process after these fractures.
BAUR, H., A. HIRSCHMULLER, S. MULLER, and F. MAYER. Neuromuscular Activity of the Peroneal Muscle after Foot Orthoses Therapy in Runners. Med. Sci. Sports Exerc., Vol. 43, No. 8, pp. 1500-1506, 2011. Purpose: Foot orthoses are a standard option to treat overuse injury. Biomechanical data providing mechanisms of foot orthoses' effectiveness are sparse. Stability of the ankle joint complex might be a key factor. The purpose was therefore to analyze neuromuscular activity of the musculus peroneus longus in runners with overuse injury symptoms treated with foot orthoses. Methods: A total of 99 male and female runners with overuse injury symptoms randomized in a control group (CO) and an orthoses group (OR) were analyzed on a treadmill at 3.3 m.s(-1) before and after an 8-wk foot orthoses intervention. Muscular activity of the musculus peroneus longus was measured and quantified in the time domain (initial onset of activation (T-ini), time of maximal activity (T-max), total time of activation (T-tot)) and amplitude domain (amplitude in preactivation (A(pre)), weight acceptance (A(wa)), push-off (A(po))). Results: Peroneal activity in the time domain did not differ initially between CO and OR, and no effect was observed after therapy (T-ini: CO = -0.88 +/- 0.09, OR = -0.88 +/- 0.08 / T-max: CO = 0.14 +/- 0.06, OR = 0.15 +/- 0.06 / T-tot: CO = 0.40 +/- 0.09, OR = 0.41 +/- 0.09; P > 0.05). In preactivation (Apre), muscle activity was higher in OR after intervention (CO = 0.97 +/- 0.32, 95% confidence interval = 0.90-1.05; OR = 1.18 +/- 0.43, 95% confidence interval = 1.08-1.28; P = 0.003). There was no group or intervention effect during stance (A(wa): CO = 2.33 +/- 0.66, OR = 2.33 +/- 0.74 / A(po): CO = 0.80 +/- 0.41, OR = 0.88 +/- 0.40; P > 0.05). Conclusions: Enhanced muscle activation of the musculus peroneus longus in preactivation suggests an altered preprogrammed activity, which might lead to better ankle stability providing a possible mode of action for foot orthoses therapy.
Isokinetic dynamometry is a standard technique for strength testing and training. Nevertheless reliability and validity is limited due to inertia effects, especially for high velocities. Therefore in a first methodological approach the purpose was to evaluate a new isokinetic measurement mode including inertia compensation compared to a classic isokinetic measurement mode for single and multijoint movements at different velocities.
Isokinetic maximum strength measurements were carried out in 26 healthy active subjects. Tests were performed using classic isokinetic and new isokinetic mode in random order. Maximum torque/force, maximum movement velocity and time for acceleration were calculated. For inter-instrument agreement Bland and Altman analysis, systematic and random error was quantified. Differences between both methods were assessed (ANOVA alpha = 0.05).
Bland and Altman analysis showed the highest agreement between the two modes for strength and velocity measurements (bias: < +/- 1.1%; LOA: < 14.2%) in knee flexion/extension at slow isokinetic velocity (60 degrees/s). Least agreement (range: bias: -67.6% +/- 119.0%; LOA: 53.4% 69.3%) was observed for shoulder/arm test at high isokinetic velocity (360 degrees/s). The Isokin(new) mode showed higher maximum movement velocities (p < 0.05).
For low isokinetic velocities the new mode agrees with the classic mode. Especially at high isokinetic velocities the new isokinetic mode shows relevant benefits coupled with a possible trade-off with the force/torque measurement. In conclusion, this study offers for the first time a comparison between the 'classical' and inertia-compensated isokinetic dynamometers indicating the advantages and disadvantages associated with each individual approach, particularly as they relate to medium or high velocities in testing and training.
Background and objectives Treatment of chronic running-related overuse injuries by orthopaedic shoe orthoses is very common but not evidence-based to date.
Hypothesis Polyurethane foam orthoses adapted to a participant's barefoot plantar pressure distribution are an effective treatment option for chronic overuse injuries in runners.
Design Prospective, randomised, controlled clinical trial.
Intervention 51 patients with running injuries were treated with custom-made, semirigid running shoe orthoses for 8 weeks. 48 served as a randomised control group that continued regular training activity without any treatment.
Main outcome measures Evaluation was made by the validated pain questionnaire Subjective Pain Experience Scale, the pain disability index and a comfort index in the orthoses group (ICI).
Results There were statistically significant differences between the orthoses and control groups at 8 weeks for the pain disability index (mean difference 3.2; 95% CI 0.9 to 5.5) and the Subjective Pain Experience Scale (6.6; 2.6 to 10.6). The patients with orthoses reported a rising wearing comfort (pre-treatment ICI 69/100; post-treatment ICI 83/100) that was most pronounced in the first 4 weeks (ICI 80.4/100).
Conclusion Customised polyurethane running shoe orthoses are an effective conservative therapy strategy for chronic running injuries with high comfort and acceptance of injured runners.
Vom Raum zur Geschichte
(2011)
Der Begriff des Ghettos hat eine lange Forschungsgeschichte. Dieser Beitrag diskutiert ihn im Kontext der Historisierung der Lebenswelten des 19. Jahrhunderts. Der Terminus wird im 19. Jahrhundert zum Inbegriff der frühneuzeitlichen Tradition. Im Folgenden werden einige Aspekte der Entstehungsgeschichte dieses Bedeutungswandels analysiert, der auf einer Zivilisierungsdynamik gegenüber den Juden im ausgehenden 18. Jahrhundert wie der Historisierung der Hebräischen Bibel in der Aufklärung basierte.
Lebenswelt Ghetto
(2011)
Der Aufsatz zeigt, inwiefern raumtheoretische Ansätze mit dem interpretativen Paradigma verbunden werden können und so einen Zugang zu den durch die nationalsozialistische Ghettoisierung hervorgerufenen Veränderungen im sozialen Handeln der Ghettobewohner ermöglichen. Es wird argumentiert, dass die Raumtheorie hier zu kurz greift und durch interpretative Ansätze ergänzt werden muss, um den sozialen Phänomenen im Ghetto gerecht zu werden. Die beiden Ansätze werden in ihrer Bedeutung für die Erforschung der Ghettogesellschaften dargestellt und an zwei Beispielen, „Kriminalität“ und Bildung, in ihrer Anwendbarkeit vorgeführt.
The prevailing paradigm in aquatic science is that microbial methanogenesis happens primarily in anoxic environments. Here, we used multiple complementary approaches to show that microbial methane production could and did occur in the well-oxygenated water column of an oligotrophic lake (Lake Stechlin, Germany). Oversaturation of methane was repeatedly recorded in the well-oxygenated upper 10 m of the water column, and the methane maxima coincided with oxygen oversaturation at 6 m. Laboratory incubations of unamended epilimnetic lake water and inoculations of photoautotrophs with a lake-enrichment culture both led to methane production even in the presence of oxygen, and the production was not affected by the addition of inorganic phosphate or methylated compounds. Methane production was also detected by in-lake incubations of lake water, and the highest production rate was 1.8-2.4 nM.h(-1) at 6 m, which could explain 33-44% of the observed ambient methane accumulation in the same month. Temporal and spatial uncoupling between methanogenesis and methanotrophy was supported by field and laboratory measurements, which also helped explain the oversaturation of methane in the upper water column. Potentially methanogenic Archaea were detected in situ in the oxygenated, methane-rich epilimnion, and their attachment to photoautotrophs might allow for anaerobic growth and direct transfer of substrates for methane production. Specific PCR on mRNA of the methyl coenzyme M reductase A gene revealed active methanogenesis. Microbial methane production in oxygenated water represents a hitherto overlooked source of methane and can be important for carbon cycling in the aquatic environments and water to air methane flux.
Editorial
(2011)
Inhalt: Editorial (Deutsch) Editorial (Englisch)
Cavitation at the solid surface normally begins with nucleation, in which defects or assembled molecules located at a liquid-solid interface act as nucleation centers and are actively involved in the evolution of cavitation bubbles. Here, we propose a simple approach to evaluate the behavior of cavitation bubbles formed under high intensity ultrasound (20 kHz, 51.3 W cm (2)) at solid surfaces, based on sonication of patterned substrates with a small roughness (less than 3 nm) and controllable surface energy. A mixture of octadecylphosphonic acid (ODTA) and octadecanethiol (ODT) was stamped on the Si wafer coated with different thicknesses of an aluminium layer (20-500 nm). We investigated the growth mechanism of cavitation bubble nuclei and the evolution of individual pits (defects) formed under sonication on the modified surface. A new activation behavior as a function of Al thickness, sonication time, ultrasonic power and temperature is reported. In this process cooperativity is introduced, as initially formed pits further reduce the energy to form bubbles. Furthermore, cavitation on the patterns is a controllable process, where up to 40-50 min of sonication time only the hydrophobic areas are active nucleation sites. This study provides a convincing proof of our theoretical approach on nucleation.