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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.
We report the discovery of TeV gamma-ray emission from the Type Ia supernova remnant (SNR) G120.1+1.4, known as Tycho's SNR. Observations performed in the period 2008-2010 with the VERITAS ground-based gamma-ray observatory reveal weak emission coming from the direction of the remnant, compatible with a point source located at 00(h)25(m)27(s).0, +64 degrees 10'50 '' (J2000). The TeV photon spectrum measured by VERITAS can be described with a power law dN/dE = C(E/3.42 TeV)(-Gamma) with Gamma = 1.95 +/- 0.51(stat) +/- 0.30(sys) and C = (1.55 +/- 0.43(stat) +/- 0.47(sys)) x 10(-14) cm(-2) s(-1) TeV-1. The integral flux above 1 TeV corresponds to similar to 0.9% of the steady Crab Nebula emission above the same energy, making it one of the weakest sources yet detected in TeV gamma rays. We present both leptonic and hadronic models that can describe the data. The lowest magnetic field allowed in these models is similar to 80 mu G, which may be interpreted as evidence for magnetic field amplification.
We report on very high energy (>100 GeV) gamma-ray observations of Swift J164449.3+573451, an unusual transient object first detected by the Swift Observatory and later detected by multiple radio, optical, and X-ray observatories. A total exposure of 28 hr was obtained on Swift J164449.3+573451 with the Very Energetic Radiation Imaging Telescope Array System ( VERITAS) during 2011 March 28-April 15. We do not detect the source and place a differential upper limit on the emission at 500 GeV during these observations of 1.4 x 10(-12) erg cm(-2) s(-1) (99% confidence level). We also present time-resolved upper limits and use a flux limit averaged over the X-ray flaring period to constrain various emission scenarios that can accommodate both the radio-through-X-ray emission detected from the source and the lack of detection by VERITAS.
We report the detection of pulsed gamma rays from the Crab pulsar at energies above 100 giga-electron volts (GeV) with the Very Energetic Radiation Imaging Telescope Array System (VERITAS) array of atmospheric Cherenkov telescopes. The detection cannot be explained on the basis of current pulsar models. The photon spectrum of pulsed emission between 100 mega-electron volts and 400 GeV is described by a broken power law that is statistically preferred over a power law with an exponential cutoff. It is unlikely that the observation can be explained by invoking curvature radiation as the origin of the observed gamma rays above 100 GeV. Our findings require that these gamma rays be produced more than 10 stellar radii from the neutron star.
The origin of Galactic cosmic rays is a century-long puzzle. Indirect evidence points to their acceleration by supernova shockwaves, but we know little of their escape from the shock and their evolution through the turbulent medium surrounding massive stars. Gamma rays can probe their spreading through the ambient gas and radiation fields. The Fermi Large Area Telescope (LAT) has observed the star-forming region of Cygnus X. The 1- to 100-gigaelectronvolt images reveal a 50-parsec-wide cocoon of freshly accelerated cosmic rays that flood the cavities carved by the stellar winds and ionization fronts from young stellar clusters. It provides an example to study the youth of cosmic rays in a superbubble environment before they merge into the older Galactic population.
Nonlinear detection of paleoclimate-variability transitions possibly related to human evolution
(2011)
Potential paleoclimatic driving mechanisms acting on human evolution present an open problem of cross-disciplinary scientific interest. The analysis of paleoclimate archives encoding the environmental variability in East Africa during the past 5 Ma has triggered an ongoing debate about possible candidate processes and evolutionary mechanisms. In this work, we apply a nonlinear statistical technique, recurrence network analysis, to three distinct marine records of terrigenous dust flux. Our method enables us to identify three epochs with transitions between qualitatively different types of environmental variability in North and East Africa during the (i) Middle Pliocene (3.35-3.15 Ma B. P.), (ii) Early Pleistocene (2.25-1.6 Ma B. P.), and (iii) Middle Pleistocene (1.1-0.7 Ma B. P.). A deeper examination of these transition periods reveals potential climatic drivers, including (i) large-scale changes in ocean currents due to a spatial shift of the Indonesian throughflow in combination with an intensification of Northern Hemisphere glaciation, (ii) a global reorganization of the atmospheric Walker circulation induced in the tropical Pacific and Indian Ocean, and (iii) shifts in the dominating temporal variability pattern of glacial activity during the Middle Pleistocene, respectively. A reexamination of the available fossil record demonstrates statistically significant coincidences between the detected transition periods and major steps in hominin evolution. This result suggests that the observed shifts between more regular and more erratic environmental variability may have acted as a trigger for rapid change in the development of humankind in Africa.
Context. The Galactic gamma-ray diffuse emission is currently observed in the GeV-TeV energy range with unprecedented accuracy by the Fermi satellite. Understanding this component is crucial because it provides a background to many different signals, such as extragalactic sources or annihilating dark matter. It is timely to reinvestigate how it is calculated and to assess the various uncertainties that are likely to affect the accuracy of the predictions.
Aims. The Galactic gamma-ray diffuse emission is mostly produced above a few GeV by the interactions of cosmic ray primaries impinging on the interstellar material. The theoretical error on that component is derived by exploring various potential sources of uncertainty. Particular attention is paid to cosmic ray propagation. Nuclear cross sections, the proton and helium fluxes at the Earth's position, the Galactic radial profile of supernova remnants, and the hydrogen distribution can also severely affect the signal.
Methods. The propagation of cosmic ray species throughout the Galaxy is described in the framework of a semi-analytic two-zone diffusion/convection model. The gamma-ray flux is reliably and quickly determined. This allows conversion of the constraints set by the boron-to-carbon data into a theoretical uncertainty on the diffuse emission. New deconvolutions of the HI and CO sky maps are also used to get the hydrogen distribution within the Galaxy.
Results. The thickness of the cosmic ray diffusive halo is found to have a significant effect on the Galactic gamma-ray diffuse emission, while the interplay between diffusion and convection has little influence on the signal. The uncertainties related to nuclear cross sections and to the primary cosmic ray fluxes at the Earth are significant. The radial distribution of supernova remnants along the Galactic plane turns out to be a key ingredient. As expected, the predictions are extremely sensitive to the spatial distribution of hydrogen within the Milky Way.
Conclusions. Most of the sources of uncertainty are likely to be reduced in the near future. The stress should be put (i) on better determination of the thickness of the cosmic ray diffusive halo; and (ii) on refined observations of the radial profile of supernova remnants.
We study a new approach to determine the asymptotic behaviour of quantum many-particle systems near coalescence points of particles which interact via singular Coulomb potentials. This problem is of fundamental interest in electronic structure theory in order to establish accurate and efficient models for numerical simulations. Within our approach, coalescence points of particles are treated as embedded geometric singularities in the configuration space of electrons. Based on a general singular pseudo-differential calculus, we provide a recursive scheme for the calculation of the parametrix and corresponding Green operator of a nonrelativistic Hamiltonian. In our singular calculus, the Green operator encodes all the asymptotic information of the eigenfunctions. Explicit calculations and an asymptotic representation for the Green operator of the hydrogen atom and isoelectronic ions are presented.
We investigate charge transport in a high-electron mobility polymer, poly(N, N-bis 2-octyldodecyl-naphthalene-1,4,5,8-bis dicarboximide-2,6-diyl-alt-5,5-2,2-bithiophene) [P(NDI2OD-T2), Polyera ActivInk (TM) N2200]. Time-of-flight measurements reveal electron mobilities approaching those measured in field-effect transistors, the highest ever recorded in a conjugated polymer using this technique. The modest temperature dependence and weak dispersion of the transients indicate low energetic disorder in this material. Steady-state electron-only current measurements reveal a barrier to injection of about 300 meV. We propose that this barrier is located within the P(NDI2OD-T2) film and arises from molecular orientation effects.
A fundamental understanding of the relationship between the bulk morphology and device performance is required for the further development of bulk heterojunction organic solar cells. Here, non-optimized (chloroform cast) and nearly optimized (solvent-annealed o-dichlorobenzene cast) P3HT:PCBM blend films treated over a range of annealing temperatures are studied via optical and photovoltaic device measurements. Parameters related to the P3HT aggregate morphology in the blend are obtained through a recently established analytical model developed by F. C. Spano for the absorption of weakly interacting H-aggregates. Thermally induced changes are related to the glass transition range of the blend. In the chloroform prepared devices, the improvement in device efficiency upon annealing within the glass transition range can be attributed to the growth of P3HT aggregates, an overall increase in the percentage of chain crystallinity, and a concurrent increase in the hole mobilities. Films treated above the glass transition range show an increase in efficiency and fill factor not only associated with the change in chain crystallinity, but also with a decrease in the energetic disorder. On the other hand, the properties of the P3HT phase in the solvent-annealed o-dichlorobenzene cast blends are almost indistinguishable from those of the corresponding pristine P3HT layer and are only weakly affected by thermal annealing. Apparently, slow drying of the blend allows the P3HT chains to crystallize into large domains with low degrees of intra- and interchain disorder. This morphology appears to be most favorable for the efficient generation and extraction of charges.
P>Computing the magnitude of an earthquake requires correcting for the propagation effects from the source to the receivers. This is often accomplished by performing numerical simulations using a suitable Earth model. In this work, the energy magnitude M(e) is considered and its determination is performed using theoretical spectral amplitude decay functions over teleseismic distances based on the global Earth model AK135Q. Since the high frequency part (above the corner frequency) of the source spectrum has to be considered in computing M(e), the influence of propagation and site effects may not be negligible and they could bias the single station M(e) estimations. Therefore, in this study we assess the inter- and intrastation distributions of errors by considering the M(e) residuals computed for a large data set of earthquakes recorded at teleseismic distances by seismic stations deployed worldwide. To separate the inter- and intrastation contribution of errors, we apply a maximum likelihood approach to the M(e) residuals. We show that the interstation errors (describing a sort of site effect for a station) are within +/- 0.2 magnitude units for most stations and their spatial distribution reflects the expected lateral variation affecting the velocity and attenuation of the Earth's structure in the uppermost layers, not accounted for by the 1-D AK135Q model. The variance of the intrastation error distribution (describing the record-to-record component of variability) is larger than the interstation one (0.240 against 0.159), and the spatial distribution of the errors is not random but shows specific patterns depending on the source-to-station paths. The set of coefficients empirically determined may be used in the future to account for the heterogeneities of the real Earth not considered in the theoretical calculations of the spectral amplitude decay functions used to correct the recorded data for propagation effects.
Soil moisture at the plot or hill-slope scale is an important link between local vadose zone hydrology and catchment hydrology. However, so far only a few methods are on the way to close this gap between point measurements and remote sensing. One new measurement methodology that could determine integral soil moisture at this scale is the aboveground sensing of cosmic-ray neutrons, more precisely of ground albedo neutrons. The present study performed ground albedo neutron sensing (GANS) at an agricultural field in northern Germany. To test the method it was accompanied by other soil moisture measurements for a summer period with corn crops growing on the field and a later autumn-winter period without crops and a longer period of snow cover. Additionally, meteorological data and aboveground crop biomass were included in the evaluation. Hourly values of ground albedo neutron sensing showed a high statistical variability. Six-hourly values corresponded well with classical soil moisture measurements, after calibration based on one reference dry period and three wet periods of a few days each. Crop biomass seemed to influence the measurements only to minor degree, opposed to snow cover which has a more substantial impact on the measurements. The latter could be quantitatively related to a newly introduced field neutron ratio estimated from neutron counting rates of two energy ranges. Overall, our study outlines a procedure to apply the ground albedo neutron sensing method based on devices now commercially available, without the need for accompanying numerical simulations and suited for longer monitoring periods after initial calibration.
Aiming at the stimulation of intrinsic microbial activity, pulses of pure oxygen or pressurized air were recurrently injected into groundwater polluted with chlorobenzene. To achieve well-controlled conditions and intensive sampling, a large, vertical underground tank was filled with the local unconfined sandy aquifer material. In the course of two individual gas injections, one using pure oxygen and one using pressurized air, the mass transfer of individual gas species between trapped gas phase and groundwater was studied. Field data on the dissolved gas composition in the groundwater were combined with a kinetic model on gas dissolution and transport in porous media. Phase mass transfer of individual gas components caused a temporary enrichment of nitrogen, and to a lower degree of methane, in trapped gas leading to the formation of excess dissolved nitrogen levels downgradient from the dissolving gas phase. By applying a novel gas sampling method for dissolved gases in groundwater it was shown that dissolved nitrogen can be used as a partitioning tracer to indicate complete gas dissolution in porous media.
New Public Management
(2011)
New Public Management hat in den vergangenen Jahren die Ansätze und das Verständnis moderner Verwaltungsführung maßgebend beeinflusst.
Stossrichtungen und Grundanliegen dieses Modells wurden zum Teil in die Führungspraxis übernommen und stellen in vielerlei Hinsicht nach wie vor Entwicklungsziele und Leitlinien für die Steuerung und Führung der öffentlichen Verwaltung dar. NPM soll die öffentliche Verwaltung an geforderte Neuausrichtungen anpassen und effizienter gestalten. Ziele und Gestaltung der öffentlichen Verwaltung unter NPM und die dazu notwendigen Instrumente werden in diesem Lehrbuch umfassend und strukturiert erläutert. Besonderes Augenmerk wird dabei auf die Veränderungslinien und -ansätze für die Verwaltungsführung gelegt.
Background: Inferring regulatory interactions between genes from transcriptomics time-resolved data, yielding reverse engineered gene regulatory networks, is of paramount importance to systems biology and bioinformatics studies. Accurate methods to address this problem can ultimately provide a deeper insight into the complexity, behavior, and functions of the underlying biological systems. However, the large number of interacting genes coupled with short and often noisy time-resolved read-outs of the system renders the reverse engineering a challenging task. Therefore, the development and assessment of methods which are computationally efficient, robust against noise, applicable to short time series data, and preferably capable of reconstructing the directionality of the regulatory interactions remains a pressing research problem with valuable applications.
Results: Here we perform the largest systematic analysis of a set of similarity measures and scoring schemes within the scope of the relevance network approach which are commonly used for gene regulatory network reconstruction from time series data. In addition, we define and analyze several novel measures and schemes which are particularly suitable for short transcriptomics time series. We also compare the considered 21 measures and 6 scoring schemes according to their ability to correctly reconstruct such networks from short time series data by calculating summary statistics based on the corresponding specificity and sensitivity. Our results demonstrate that rank and symbol based measures have the highest performance in inferring regulatory interactions. In addition, the proposed scoring scheme by asymmetric weighting has shown to be valuable in reducing the number of false positive interactions. On the other hand, Granger causality as well as information-theoretic measures, frequently used in inference of regulatory networks, show low performance on the short time series analyzed in this study.
Conclusions: Our study is intended to serve as a guide for choosing a particular combination of similarity measures and scoring schemes suitable for reconstruction of gene regulatory networks from short time series data. We show that further improvement of algorithms for reverse engineering can be obtained if one considers measures that are rooted in the study of symbolic dynamics or ranks, in contrast to the application of common similarity measures which do not consider the temporal character of the employed data. Moreover, we establish that the asymmetric weighting scoring scheme together with symbol based measures (for low noise level) and rank based measures (for high noise level) are the most suitable choices.
Large-scale co-expression approach to dissect secondary cell wall formation across plant species
(2011)
Plant cell walls are complex composites largely consisting of carbohydrate-based polymers, and are generally divided into primary and secondary walls based on content and characteristics. Cellulose microfibrils constitute a major component of both primary and secondary cell walls and are synthesized at the plasma membrane by cellulose synthase (CESA) complexes. Several studies in Arabidopsis have demonstrated the power of co-expression analyses to identify new genes associated with secondary wall cellulose biosynthesis. However, across-species comparative co-expression analyses remain largely unexplored. Here, we compared co-expressed gene vicinity networks of primary and secondary wall CESAsin Arabidopsis, barley, rice, poplar, soybean, Medicago, and wheat, and identified gene families that are consistently co-regulated with cellulose biosynthesis. In addition to the expected polysaccharide acting enzymes, we also found many gene families associated with cytoskeleton, signaling, transcriptional regulation, oxidation, and protein degradation. Based on these analyses, we selected and biochemically analyzed T-DNA insertion lines corresponding to approximately twenty genes from gene families that re-occur in the co-expressed gene vicinity networks of secondary wall CESAs across the seven species. We developed a statistical pipeline using principal component analysis and optimal clustering based on silhouette width to analyze sugar profiles. One of the mutants, corresponding to a pinoresinol reductase gene, displayed disturbed xylem morphology and held lower levels of lignin molecules. We propose that this type of large-scale co-expression approach, coupled with statistical analysis of the cell wall contents, will be useful to facilitate rapid knowledge transfer across plant species.
Motivation: Network-centered studies in systems biology attempt to integrate the topological properties of biological networks with experimental data in order to make predictions and posit hypotheses. For any topology-based prediction, it is necessary to first assess the significance of the analyzed property in a biologically meaningful context. Therefore, devising network null models, carefully tailored to the topological and biochemical constraints imposed on the network, remains an important computational problem.
Results: We first review the shortcomings of the existing generic sampling scheme-switch randomization-and explain its unsuitability for application to metabolic networks. We then devise a novel polynomial-time algorithm for randomizing metabolic networks under the (bio)chemical constraint of mass balance. The tractability of our method follows from the concept of mass equivalence classes, defined on the representation of compounds in the vector space over chemical elements. We finally demonstrate the uniformity of the proposed method on seven genome-scale metabolic networks, and empirically validate the theoretical findings. The proposed method allows a biologically meaningful estimation of significance for metabolic network properties.
Spatiotemporal dynamics of the Calvin cycle multistationarity and symmetry breaking instabilities
(2011)
The possibility of controlling the Calvin cycle has paramount implications for increasing the production of biomass. Multistationarity, as a dynamical feature of systems, is the first obvious candidate whose control could find biotechnological applications. Here we set out to resolve the debate on the multistationarity of the Calvin cycle. Unlike the existing simulation-based studies, our approach is based on a sound mathematical framework, chemical reaction network theory and algebraic geometry, which results in provable results for the investigated model of the Calvin cycle in which we embed a hierarchy of realistic kinetic laws. Our theoretical findings demonstrate that there is a possibility for multistationarity resulting from two sources, homogeneous and inhomogeneous instabilities, which partially settle the debate on multistability of the Calvin cycle. In addition, our tractable analytical treatment of the bifurcation parameters can be employed in the design of validation experiments.
Integration of high-throughput data with functional annotation by graph-theoretic methods has been postulated as promising way to unravel the function of unannotated genes. Here, we first review the existing graph-theoretic approaches for automated gene function annotation and classify them into two categories with respect to their relation to two instances of transductive learning on networks - with dynamic costs and with constant costs - depending on whether or not ontological relationship between functional terms is employed. The determined categories allow to characterize the computational complexity of the existing approaches and establish the relation to classical graph-theoretic problems, such as bisection and multiway cut. In addition, our results point out that the ontological form of the structured functional knowledge does not lower the complexity of the transductive learning with dynamic costs - one of the key problems in modern systems biology. The NP-hardness of automated gene annotation renders the development of heuristic or approximation algorithms a priority for additional research.
Analysis of biological networks requires assessing the statistical significance of network-based predictions by using a realistic null model. However, the existing network null model, switch randomization, is unsuitable for metabolic networks, as it does not include physical constraints and generates unrealistic reactions. We present JMassBalance, a tool for mass-balanced randomization and analysis of metabolic networks. The tool allows efficient generation of large sets of randomized networks under the physical constraint of mass balance. In addition, various structural properties of the original and randomized networks can be calculated, facilitating the identification of the salient properties of metabolic networks with a biologically meaningful null model.
Identifying causal links (couplings) is a fundamental problem that facilitates the understanding of emerging structures in complex networks. We propose and analyze inner composition alignment-a novel, permutation-based asymmetric association measure to detect regulatory links from very short time series, currently applied to gene expression. The measure can be used to infer the direction of couplings, detect indirect (superfluous) links, and account for autoregulation. Applications to the gene regulatory network of E. coli are presented.
Corn hybrids display lower metabolite variability and complex metabolite inheritance patterns
(2011)
We conducted a comparative analysis of the root metabolome of six parental maize inbred lines and their 14 corresponding hybrids showing fresh weight heterosis. We demonstrated that the metabolic profiles not only exhibit distinct features for each hybrid line compared with its parental lines, but also separate reciprocal hybrids. Reconstructed metabolic networks, based on robust correlations between metabolic profiles, display a higher network density in most hybrids as compared with the corresponding inbred lines. With respect to metabolite level inheritance, additive, dominant and overdominant patterns are observed with no specific overrepresentation. Despite the observed complexity of the inheritance pattern, for the majority of metabolites the variance observed in all 14 hybrids is lower compared with inbred lines. Deviations of metabolite levels from the average levels of the hybrids correlate negatively with biomass, which could be applied for developing predictors of hybrid performance based on characteristics of metabolite patterns.
Describing the determinants of robustness of biological systems has become one of the central questions in systems biology. Despite the increasing research efforts, it has proven difficult to arrive at a unifying definition for this important concept. We argue that this is due to the multifaceted nature of the concept of robustness and the possibility to formally capture it at different levels of systemic formalisms (e.g, topology and dynamic behavior). Here we provide a comprehensive review of the existing definitions of robustness pertaining to metabolic networks. As kinetic approaches have been excellently reviewed elsewhere, we focus on definitions of robustness proposed within graph-theoretic and constraint-based formalisms.
The Calvin-Benson cycle (CBC) provides the precursors for biomass synthesis necessary for plant growth. The dynamic behavior and yield of the CBC depend on the environmental conditions and regulation of the cellular state. Accurate quantitative models hold the promise of identifying the key determinants of the tightly regulated CBC function and their effects on the responses in future climates. We provide an integrative analysis of the largest compendium of existing models for photosynthetic processes. Based on the proposed ranking, our framework facilitates the discovery of best-performing models with regard to metabolomics data and of candidates for metabolic engineering.
Aggregation of the Amyloid β (Aβ) peptide to amyloid fibrils is associated with the outbreak of Alzheimer’s disease. Early aggregation intermediates in form of soluble oligomers are of special interest as they are believed to be the major toxic components in the process. These oligomers are of disordered and transient nature. Therefore, their detailed molecular structure is difficult to access experimentally and often remains unknown. In the present work extensive, fully atomistic replica exchange molecular dynamics simulations were performed to study the preaggregated, monomer states and early aggregation intermediates (dimers, trimers) of Aβ(25-35) and Aβ(10-35)-NH2 in aqueous solution. The folding and aggregation of Aβ(25-35) were studied at neutral pH and 293 K. Aβ(25-35) monomers mainly adopt β-hairpin conformations characterized by a β-turn formed by residues G29 and A30, and a β-sheet between residues N27–K28 and I31–I32 in equilibrium with coiled conformations. The β-hairpin conformations served as initial configurations to model spontaneous aggregation of Aβ(25-35). As expected, within the Aβ(25-35) dimer and trimer ensembles many different poorly populated conformations appear. Nevertheless, we were able to distinguish between disordered and fibril-like oligomers. Whereas disordered oligomers are rather compact with few intermolecular hydrogen bonds (HBs), fibril-like oligomers are characterized by the formation of large intermolecular β-sheets. In most of the fibril-like dimers and trimers individual peptides are fully extended forming in- or out-of-register antiparallel β-sheets. A small amount of fibril-like trimers contained V-shaped peptides forming parallel β-sheets. The dimensions of extended and V-shaped oligomers correspond well to the diameters of two distinct morphologies found for Aβ(25-35) fibrils. The transition from disordered to fibril-like Aβ(25-35) dimers is unfavorable but driven by energy. The lower energy of fibril-like dimers arises from favorable intermolecular HBs and other electrostatic interactions which compete with a loss in entropy. Approximately 25 % of the entropic cost correspond to configurational entropy. The rest relates to solvent entropy, presumably caused by hydrophobic and electrostatic effects. In contrast to the transition towards fibril-like dimers the first step of aggregation is driven by entropy. Here, we compared structural and thermodynamic properties of the individual monomer, dimer and trimer ensembles to gain qualitative information about the aggregation process. The β-hairpin conformation observed for monomers is successively dissolved in dimer and trimer ensembles while instead intermolecular β-sheets are formed. As expected upon aggregation the configurational entropy decreases. Additionally, the solvent accessible surface area (SASA), especially the hydrophobic SASA, decreases yielding a favorable solvation free energy which overcompensates the loss in configurational entropy. In summary, the hydrophobic effect, possibly combined with electrostatic effects, yields an increase in solvent entropy which is believed to be one major driving force towards aggregation. Spontaneous folding of the Aβ(10-35)-NH2 monomer was modeled using two force fields, GROMOS96 43a1 and OPLS/AA, and compared to primary NMR data collected at pH 5.6 and 283 K taken from the literature. Unexpectedly, the two force fields yielded significantly different main conformations. Comparison between experimental and calculated nuclear Overhauser effect (NOE) distances is not sufficient to distinguish between the different force fields. Additionally, the comparison with scalar coupling constants suggest that the chosen protonation in both simulations corresponds to a pH lower than in the experiment. Based on this analysis we were unable to determine which force field yields a better description of this system. Dimerization of Aβ(10-35)-NH2 was studied at neutral pH and 300 K. Dimer conformations arrange in many distinct, poorly populated and rather complex alignments or interlocking patterns which are rather stabilized by side chain interactions than by specific intermolecular hydrogen bonds. Similar to Aβ(25-35) dimers, transition towards β-sheet-rich, fibril-like Aβ(10-35) dimers is driven by energy competing with a loss in entropy. Here, transition is mediated by favorable peptide-solvent and solvent-solvent interactions mainly arising from electrostatic interactions.
Control of crystallographic texture from mostly face-on to edge-on is observed for the film morphology of the n-type semicrystalline polymer [N,N-9-bis(2-octyldodecyl)naphthalene-1,4,5,8-bis(dicarboximide)-2,6-diy1]alt-5,59-(2,29-bithiophene)}, P(NDI2OD-T2), when annealing the film to the polymer melting point followed by slow cooling to ambient temperature. A variety of X-ray diffraction analyses, including pole figure construction and Fourier transform peak shape deconvolution, are employed to quantify the texture change, relative degree of crystallinity and lattice order. We find that annealing the polymer film to the melt leads to a shift from 77.5% face-on to 94.6% edge-on lamellar texture as well as to a 2-fold increase in crystallinity and a 40% decrease in intracrystallite cumulative disorder. The texture change results in a significant drop in the electron-only diode current density through the film thickness upon melt annealing while little change is observed in the in-plane transport of bottom gated thin film transistors. This suggests that the texture change is prevalent in the film interior and that either the (bottom) surface structure is different from the interior structure or the intracrystalline order and texture play a secondary role in transistor transport for this material.
Managing open habitats by wild ungulate browsing and grazing a case-study in North-Eastern Germany
(2011)
Question: Can wild ungulates efficiently maintain and restore open habitats?
Location: Brandenburg, NE Germany.
Methods: The effect of wild ungulate grazing and browsing was studied in three successional stages: (1) Corynephorus canescens-dominated grassland; (2) ruderal tall forb vegetation dominated by Tanacetum vulgare; and (3) Pinus sylvestris-pioneer forest. The study was conducted over 3 yr. In each successional stage, six paired 4 m(2)-monitoring plots of permanently grazed versus ungrazed plots were arranged in three random blocks. Removal of grazing was introduced de novo for the study. In each plot, percentage cover of each plant and lichen species and total cover of woody plants was recorded.
Results: Wild ungulates considerably affected successional pathways and species composition in open habitats but this influence became evident in alteration of abundances of only a few species. Grazing effects differed considerably between successional stages: species richness was higher in grazed versus ungrazed ruderal and pioneer forest plots, but not in the Corynephorus sites. Herbivory affected woody plant cover only in the Pioneer forest sites. Although the study period was too short to observe drastic changes in species richness and woody plant cover, notable changes in species composition were still detected in all successional stages.
Conclusion: Wild ungulate browsing is a useful tool to inhibit encroachment of woody vegetation and to conserve a species-rich, open landscape.
The analysis of palaeoclimate time series is usually affected by severe methodological problems, resulting primarily from non-equidistant sampling and uncertain age models. As an alternative to existing methods of time series analysis, in this paper we argue that the statistical properties of recurrence networks - a recently developed approach - are promising candidates for characterising the system's nonlinear dynamics and quantifying structural changes in its reconstructed phase space as time evolves. In a first order approximation, the results of recurrence network analysis are invariant to changes in the age model and are not directly affected by non-equidistant sampling of the data. Specifically, we investigate the behaviour of recurrence network measures for both paradigmatic model systems with non-stationary parameters and four marine records of long-term palaeoclimate variations. We show that the obtained results are qualitatively robust under changes of the relevant parameters of our method, including detrending, size of the running window used for analysis, and embedding delay. We demonstrate that recurrence network analysis is able to detect relevant regime shifts in synthetic data as well as in problematic geoscientific time series. This suggests its application as a general exploratory tool of time series analysis complementing existing methods.
Photo-induced deformations in azobenzene-containing polymers (azo-polymers) are central to a number of applications, such as optical storage and fabrication of diffractive elements. The microscopic nature of the underlying opto-mechanical coupling is yet not clear. In this study, we address the experimental finding that the scenario of the effects depends on molecular architecture of the used azo-polymer. Typically, opposite deformations in respect to the direction of light polarization are observed for liquid crystalline and amorphous azo-polymers. In this study, we undertake molecular dynamics simulations of two different models that mimic these two types of azo-polymers. We employ hybrid force field modeling and consider only trans-isomers of azobenzene, represented as Gay-Berne sites. The effect of illumination on the orientation of the chromophores is considered on the level of orientational hole burning and emphasis is given to the resulting deformation of the polymer matrix. We reproduce deformations of opposite sign for the two models being considered here and discuss the relevant microscopic mechanisms in both cases.
Time-delayed collection field (TDCF) experiments are performed on bulk heterojunction solar cells comprised of a blend of poly(3-hexylthiophene) and [6,6]-phenyl C-71 butyric acid methyl ester. TDCF is analogous to a pump-probe experiment using optical excitation and an electrical probe with a resolution of < 100 ns. The number of free charge carriers extracted after a short delay is found to be independent of the electric field during illumination. Also, experiments performed with a variable delay between the optical excitation and the electrical probe do not reveal any evidence for the generation of charge via field-assisted dissociation of bound long-lived polaron pairs. Photocurrent transients are well fitted by computational drift diffusion simulations with only direct generation of free charge carriers. With increasing delay times between pump and probe, two loss mechanisms are identified; first, charge-carriers are swept out of the device by the internal electric field, and second, bimolecular recombination of the remaining carriers takes place with a reduced recombination coefficient.
The structure and morphology on different length scales dictate both the electrical and optical properties of organic semiconductor thin films. Using a combination of spectroscopic methods, including scanning near-field optical microscopy, we study the domain structure and packing quality of highly crystalline thin films of oligomeric PQT-12 with 100 nanometer spatial resolution. The pronounced optical anisotropy of these layers measured by polarized light microscopy facilitates the identification of regions with uniform molecular orientation. We find that a hierarchical order on three different length scales exists in these layers, made up of distinct well-ordered dichroic areas at the ten-micrometer-scale, which are sub-divided into domains with different molecular in-plane orientation. These serve as a template for the formation of smaller needle-like crystallites at the layer surface. A high degree of crystalline order is believed to be the cause of the rather high field-effect mobility of these layers of 10(-3) cm 2 V(-1) s(-1), whereas it is limited by the presence of domain boundaries at macroscopic distances.
We simulate organic bulk heterojunction solar cells. The effects of energetic disorder are incorporated through a Gaussian or exponential model of density of states. Analytical models of open-circuit voltage (V(OC)) are derived from the splitting of quasi-Fermi potentials. Their predictions are backed up by more complex numerical device simulations including effects such as carrier-density-dependent charge-carrier mobilities. It is predicted that the V(OC) depends on: (1) the donor-acceptor energy gap; (2) charge-carrier recombination rates; (3) illumination intensity; (4) the contact work functions (if not in the pinning regime); and (5) the amount of energetic disorder. A large degree of energetic disorder, or a high density of traps, is found to cause significant reductions in V(OC). This can explain why V(OC) is often less than expected in real devices. Energetic disorder also explains the nonideal temperature and intensity dependence of V(OC) and the superbimolecular recombination rates observed in many real bulk heterojunction solar cells.
We use the Kelvin probe method to study the energy-level alignment of four conjugated polymers deposited on various electrodes. Band bending is observed in all polymers when the substrate work function exceeds critical values. Through modeling, we show that the band bending is explained by charge transfer from the electrodes into a small density of states that extends several hundred meV into the band gap. The energetic spread of these states is correlated with charge-carrier mobilities, suggesting that the same states also govern charge transport in the bulk of these polymers.
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 beta-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.
Dehydration stress-related late embryogenesis abundant (LEA) proteins have been found in plants, invertebrates and bacteria. Most LEA proteins are unstructured in solution, but some fold into amphipathic a-helices during drying. The Pfam LEA_4 (Group 3) protein LEA7 from the higher plant Arabidopsis thaliana was predicted to be 87% alpha-helical, while CD spectroscopy showed it to be largely unstructured in solution and only 35% alpha-helical in the dry state. However, the dry protein contained 15% beta-sheets. FTIR spectroscopy revealed the (beta-sheets to be largely due to aggregation. beta-Sheet content was reduced and alpha-helix content increased when LEA7 was dried in the presence of liposomes with secondary structure apparently influenced by lipid composition. Secondary structure was also affected by the presence of membranes in the fully hydrated state. A temperature-induced increase in the flexibility of the dry protein was also only observed in the presence of membranes. Functional interactions of LEA7 with membranes in the dry state were indicated by its influence on the thermotropic phase transitions of the lipids and interactions with the lipid headgroup phosphates.
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.
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.
The exponential expanding of the numbers of web sites and Internet users makes WWW the most important global information resource. From information publishing and electronic commerce to entertainment and social networking, the Web allows an inexpensive and efficient access to the services provided by individuals and institutions. The basic units for distributing these services are the web sites scattered throughout the world. However, the extreme fragility of web services and content, the high competence between similar services supplied by different sites, and the wide geographic distributions of the web users drive the urgent requirement from the web managers to track and understand the usage interest of their web customers. This thesis, "X-tracking the Usage Interest on Web Sites", aims to fulfill this requirement. "X" stands two meanings: one is that the usage interest differs from various web sites, and the other is that usage interest is depicted from multi aspects: internal and external, structural and conceptual, objective and subjective. "Tracking" shows that our concentration is on locating and measuring the differences and changes among usage patterns. This thesis presents the methodologies on discovering usage interest on three kinds of web sites: the public information portal site, e-learning site that provides kinds of streaming lectures and social site that supplies the public discussions on IT issues. On different sites, we concentrate on different issues related with mining usage interest. The educational information portal sites were the first implementation scenarios on discovering usage patterns and optimizing the organization of web services. In such cases, the usage patterns are modeled as frequent page sets, navigation paths, navigation structures or graphs. However, a necessary requirement is to rebuild the individual behaviors from usage history. We give a systematic study on how to rebuild individual behaviors. Besides, this thesis shows a new strategy on building content clusters based on pair browsing retrieved from usage logs. The difference between such clusters and the original web structure displays the distance between the destinations from usage side and the expectations from design side. Moreover, we study the problem on tracking the changes of usage patterns in their life cycles. The changes are described from internal side integrating conceptual and structure features, and from external side for the physical features; and described from local side measuring the difference between two time spans, and global side showing the change tendency along the life cycle. A platform, Web-Cares, is developed to discover the usage interest, to measure the difference between usage interest and site expectation and to track the changes of usage patterns. E-learning site provides the teaching materials such as slides, recorded lecture videos and exercise sheets. We focus on discovering the learning interest on streaming lectures, such as real medias, mp4 and flash clips. Compared to the information portal site, the usage on streaming lectures encapsulates the variables such as viewing time and actions during learning processes. The learning interest is discovered in the form of answering 6 questions, which covers finding the relations between pieces of lectures and the preference among different forms of lectures. We prefer on detecting the changes of learning interest on the same course from different semesters. The differences on the content and structure between two courses leverage the changes on the learning interest. We give an algorithm on measuring the difference on learning interest integrated with similarity comparison between courses. A search engine, TASK-Moniminer, is created to help the teacher query the learning interest on their streaming lectures on tele-TASK site. Social site acts as an online community attracting web users to discuss the common topics and share their interesting information. Compared to the public information portal site and e-learning web site, the rich interactions among users and web content bring the wider range of content quality, on the other hand, provide more possibilities to express and model usage interest. We propose a framework on finding and recommending high reputation articles in a social site. We observed that the reputation is classified into global and local categories; the quality of the articles having high reputation is related with the content features. Based on these observations, our framework is implemented firstly by finding the articles having global or local reputation, and secondly clustering articles based on their content relations, and then the articles are selected and recommended from each cluster based on their reputation ranks.
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.
The past climate in central Asia, and especially on the Tibetan Plateau (TP), is of great importance for an understanding of global climate processes and for predicting the future climate. As a major influence on the climate in this region, the Asian Summer Monsoon (ASM) and its evolutionary history are of vital importance for accurate predictions. However, neither the evolutionary pattern of the summer monsoon nor the driving mechanisms behind it are yet clearly understood. For this research, I first synthesized previously published Late Glacial to Holocene climatic records from monsoonal central Asia in order to extract the general climate signals and the associated summer monsoon intensities. New climate and vegetation sequences were then established using improved quantitative methods, focusing on fossil pollen records recovered from Tibetan lakes and also incorporating new modern datasets. The pollen-vegetation and vegetation-climate relationships on the TP were also evaluated in order to achieve a better understanding of fossil pollen records. The synthesis of previously published moisture-related palaeoclimate records in monsoonal central Asia revealed generally different temporal patterns for the two monsoonal subsystems, i.e. the Indian Summer Monsoon (ISM) and East Asian Summer Monsoon (EASM). The ISM appears to have experienced maximum wet conditions during the early Holocene, while many records from the area affected by the EASM indicate relatively dry conditions at that time, particularly in north-central China where the maximum moisture levels occurred during the middle Holocene. A detailed consideration of possible driving factors affecting the summer monsoon, including summer solar insolation and sea surface temperatures, revealed that the ISM was primarily driven by variations in northern hemisphere solar insolation, and that the EASM may have been constrained by the ISM resulting in asynchronous patterns of evolution for these two subsystems. This hypothesis is further supported by modern monsoon indices estimated using the NCEP/NCAR Reanalysis data from the last 50 years, which indicate a significant negative correlation between the two summer monsoon subsystems. By analogy with the early Holocene, intensification of the ISM during coming decades could lead to increased aridification elsewhere as a result of the asynchronous nature of the monsoon subsystems, as can already be observed in the meteorological data from the last 15 years. A quantitative climate reconstruction using fossil pollen records was achieved through analysis of sediment core recovered from Lake Donggi Cona (in the north-eastern part of the TP) which has been dated back to the Last Glacial Maximum (LGM). A new data-set of modern pollen collected from large lakes in arid to semi-arid regions of central Asia is also presented herein. The concept of "pollen source area" was introduced to modern climate calibration based on pollen from large lakes, and was applied to the fossil pollen sequence from Lake Donggi Cona. Extremely dry conditions were found to have dominated the LGM, and a subsequent gradually increasing trend in moisture during the Late Glacial period was terminated by an abrupt reversion to a dry phase that lasted for about 1000 years and coincided with the first Heinrich Event of the northern Atlantic region. Subsequent periods corresponding to the warm Bølling-Allerød period and the Younger Dryas cold event were followed by moist conditions during the early Holocene, with annual precipitation of up to about 400 mm. A slightly drier trend after 9 cal ka BP was then followed by a second wet phase during the middle Holocene that lasted until 4.5 cal ka BP. Relatively steady conditions with only slight fluctuations then dominated the late Holocene, resulting in the present climatic conditions. In order to investigate the relationship between vegetation and climate, temporal variations in the possible driving factors for vegetation change on the northern TP were examined using a high resolution late Holocene pollen record from Lake Kusai. Moving-window Redundancy Analyses (RDAs) were used to evaluate the correlations between pollen assemblages and individual sedimentary proxies. These analyses have revealed frequent fluctuations in the relative abundances of alpine steppe and alpine desert components, and in particular a decrease in the total vegetation cover at around 1500 cal a BP. The climate was found to have had an important influence on vegetation changes when conditions were relatively wet and stable. However, after the 1500 cal a BP threshold in vegetation cover was crossed the vegetation appears to have been affected more by extreme events such as dust storms or fluvial erosion than by the general climatic trends. In addition, pollen spectra over the last 600 years have been revealed by Procrustes analysis to be significantly different from those recovered from older samples, which is attributed to an increased human impact that resulted in unprecedented changes to the composition of the vegetation. Theoretical models that have been developed and widely applied to the European area (i.e. the Extended R-Value (ERV) model and the Regional Estimates of Vegetation Abundance from Large Sites (REVEALS) model) have been applied to the high alpine TP ecosystems in order to investigate the pollen-vegetation relationships, as well as for quantitative reconstructions of vegetation abundance. The modern pollen–vegetation relationships for four common pollen species on the TP have been investigated using Poaceae as the reference taxa. The ERV Submodel 2 yielded relatively high PPEs for the steppe and desert taxa (Artemisia Chenopodiaceae), and low PPEs for the Cyperaceae that are characteristic of the alpine Kobresia meadows. The plant abundances on the central and north-eastern TP were quantified by applying these PPEs to four post-Late Glacial fossil pollen sequences. The reconstructed vegetation assemblages for the four pollen sequences always yielded smaller compositional species turnovers than suggested by the pollen spectra, indicating that the strength of the previously-reported vegetation changes may therefore have been overestimated. In summary, the key findings of this thesis are that (a) the two ASM subsystems show asynchronous patterns during both the Holocene and modern time periods, (b) fossil pollen records from large lakes reflect regional signals for which the pollen source areas need to be taken into account, (c) climate is not always the main driver for vegetation change, and (d) previously reported vegetation changes on the TP may have been overestimated because they ignored inter-species variations in pollen productivity.
Spatial and temporal temperature and moisture patterns across the Tibetan Plateau are very complex. The onset and magnitude of the Holocene climate optimum in the Asian monsoon realm, in particular, is a subject of considerable debate as this time period is often used as an analogue for recent global warming. In the light of contradictory inferences regarding past climate and environmental change on the Tibetan Plateau, I have attempted to explain mismatches in the timing and magnitude of change. Therefore, I analysed the temporal variation of fossil pollen and diatom spectra and the geochemical record from palaeo-ecological records covering different time scales (late Quaternary and the last 200 years) from two core regions in the NE and SE Tibetan Plateau. For interpretation purposes I combined my data with other available palaeo-ecological data to set up corresponding aquatic and terrestrial proxy data sets of two lake pairs and two sets of sites. I focused on the direct comparison of proxies representing lacustrine response to climate signals (e.g., diatoms, ostracods, geochemical record) and proxies representing changes in the terrestrial environment (i.e., terrestrial pollen), in order to asses whether the lake and its catchments respond at similar times and magnitudes to environmental changes. Therefore, I introduced the established numerical technique procrustes rotation as a new approach in palaeoecology to quantitatively compare raw data of any two sedimentary records of interest in order to assess their degree of concordance. Focusing on the late Quaternary, sediment cores from two lakes (Kuhai Lake 35.3°N; 99.2°E; 4150 m asl; and Koucha Lake 34.0°N; 97.2°E; 4540 m asl) on the semi-arid northeastern Tibetan Plateau were analysed to identify post-glacial vegetation and environmental changes, and to investigate the responses of lake ecosystems to such changes. Based on the pollen record, five major vegetation and climate changes could be identified: (1) A shift from alpine desert to alpine steppe indicates a change from cold, dry conditions to warmer and more moist conditions at 14.8 cal. ka BP, (2) alpine steppe with tundra elements points to conditions of higher effective moisture and a stepwise warming climate at 13.6 cal. ka BP, (3) the appearance of high-alpine meadow vegetation indicates a further change towards increased moisture, but with colder temperatures, at 7.0 cal. ka BP, (4) the reoccurrence of alpine steppe with desert elements suggests a return to a significantly colder and drier phase at 6.3 cal. ka BP, and (5) the establishment of alpine steppe-meadow vegetation indicates a change back to relatively moist conditions at 2.2 cal. ka BP. To place the reconstructed climate inferences from the NE Tibetan Plateau into the context of Holocene moisture evolution across the Tibetan Plateau, I applied a five-scale moisture index and average link clustering to all available continuous pollen and non-pollen palaeoclimate records from the Tibetan Plateau, in an attempt to detect coherent regional and temporal patterns of moisture evolution on the Plateau. However, no common temporal or spatial pattern of moisture evolution during the Holocene could be detected, which can be assigned to the complex responses of different proxies to environmental changes in an already very heterogeneous mountain landscape, where minor differences in elevation can result in marked variations in microenvironments. Focusing on the past 200 years, I analysed the sedimentary records (LC6 Lake 29.5°N, 94.3°E, 4132 m asl; and Wuxu Lake 29.9°N, 101.1°E, 3705 m asl) from the southeastern Tibetan Plateau. I found that despite presumed significant temperature increases over that period, pollen and diatom records from the SE Tibetan Plateau reveal only very subtle changes throughout their profiles. The compositional species turnover investigated over the last 200 years appears relatively low in comparison to the species reorganisations during the Holocene. The results indicate that climatically induced ecological thresholds are not yet crossed, but that human activity has an increasing influence, particularly on the terrestrial ecosystem. Forest clearances and reforestation have not caused forest decline in our study area, but a conversion of natural forests to semi-natural secondary forests. The results from the numerical proxy comparison of the two sets of two pairs of Tibetan lakes indicate that the use of different proxies and the work with palaeo-ecological records from different lake types can cause deviant stories of inferred change. Irrespective of the timescale (Holocene or last 200 years) or region (SE or NE Tibetan Plateau) analysed, the agreement in terms of the direction, timing, and magnitude of change between the corresponding terrestrial data sets is generally better than the match between the corresponding lacustrine data sets, suggesting that lacustrine proxies may partly be influenced by in-lake or local catchment processes whereas the terrestrial proxy reflects a more regional climatic signal. The current disaccord on coherent temporal and spatial climate patterns on the Tibetan Plateau can partly be ascribed to the complexity of proxy response and lake systems on the Tibetan Plateau. Therefore, a multi-proxy, multi-site approach is important in order to gain a reliable climate interpretation for the complex mountain landscape of the Tibetan Plateau.
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.