Conformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: A First-Principles Quantum Dynamical Study

We report on high-dimensional quantum dynamical simulations of torsion-induced exciton migration in a single-chain oligothiophene segment comprising twenty repeat units, using a first-principles parametrized Frenkel J-aggregate Hamiltonian. Starting from an initial inter-ring torsional defect, these simulations provide evidence of an ultrafast two-time scale process at low temperatures, involving exciton-polaron formation within tens of femtoseconds, followed by torsional relaxation on a ~300 femtosecond time scale. The second step is the driving force for exciton migration, as initial conjugation breaks are removed by dynamical planarization. The quantum coherent nature of the elementary exciton migration step is consistent with experimental observations highlighting the correlated and vibrationally coherent nature of the dynamics on ultrafast time scales.Comment: 4 pages, 4 figure

Cantilever micro-rheometer for the dcharacterization of sugar solutions

The volume required for the rheological characterization of fluids can be minimized by using micromechanical cantilevers as viscosity sensors. Here, a simple measurement tool for the characterization of sugar solutions is proposed. The sensor consists of a micromechanical cantilever as used in an atomic force microscopy which is integrated into a closed fluid handling system. Fluid properties are derived from an analysis of the power spectral density of the fluctuations of the cantilever deflection signal. The data acquisition system is operated with standard consumer computer components, which limits the costs for the hardware. Measurements with different sugar solutions indicate that the sensor system provides reliable viscosity values for sugar concentrations as they occur in biological systems. The viscosities of the sugar solutions could be evaluated with an error smaller than 5%

Automated processing for map generalization using web services

In map generalization various operators are applied to the features of a map in order to maintain and improve the legibility of the map after the scale has been changed. These operators must be applied in the proper sequence and the quality of the results must be continuously evaluated. Cartographic constraints can be used to define the conditions that have to be met in order to make a map legible and compliant to the user needs. The combinatorial optimization approaches shown in this paper use cartographic constraints to control and restrict the selection and application of a variety of different independent generalization operators into an optimal sequence. Different optimization techniques including hill climbing, simulated annealing and genetic deep search are presented and evaluated experimentally by the example of the generalization of buildings in blocks. All algorithms used in this paper have been implemented in a web services framework. This allows the use of distributed and parallel processing in order to speed up the search for optimized generalization operator sequence

A Supervised Approach to Delineate Built-Up Areas for Monitoring and Analysis of Settlements

Monitoring urban growth and measuring urban sprawl is essential for improving urban planning and development. In this paper, we introduce a supervised approach for the delineation of urban areas using commonly available topographic data and commercial GIS software. The method uses a supervised parameter optimization approach along with buffer-based quality measuring method. The approach was developed, tested and evaluated in terms of possible usage in monitoring built-up areas in spatial science at a very fine-grained level. Results show that built-up area boundaries can be delineated automatically with higher quality compared to the settlement boundaries actually used. The approach has been applied to 166 settlement bodies in Germany. The study shows a very efficient way of extracting settlement boundaries from topographic data and maps and contributes to the quantification and monitoring of urban sprawl. Moreover, the findings from this study can potentially guide policy makers and urban planners from other countries

Use of multiple singular value decompositions to analyze complex intracellular calcium ion signals

We compare calcium ion signaling ($\mathrm {Ca}^{2+}$) between two exposures; the data are present as movies, or, more prosaically, time series of images. This paper describes novel uses of singular value decompositions (SVD) and weighted versions of them (WSVD) to extract the signals from such movies, in a way that is semi-automatic and tuned closely to the actual data and their many complexities. These complexities include the following. First, the images themselves are of no interest: all interest focuses on the behavior of individual cells across time, and thus, the cells need to be segmented in an automated manner. Second, the cells themselves have 100$+$ pixels, so that they form 100$+$ curves measured over time, so that data compression is required to extract the features of these curves. Third, some of the pixels in some of the cells are subject to image saturation due to bit depth limits, and this saturation needs to be accounted for if one is to normalize the images in a reasonably unbiased manner. Finally, the $\mathrm {Ca}^{2+}$ signals have oscillations or waves that vary with time and these signals need to be extracted. Thus, our aim is to show how to use multiple weighted and standard singular value decompositions to detect, extract and clarify the $\mathrm {Ca}^{2+}$ signals. Our signal extraction methods then lead to simple although finely focused statistical methods to compare $\mathrm {Ca}^{2+}$ signals across experimental conditions.Comment: Published in at http://dx.doi.org/10.1214/09-AOAS253 the Annals of Applied Statistics (http://www.imstat.org/aoas/) by the Institute of Mathematical Statistics (http://www.imstat.org

Übungsklausur für das erste Staatsexamen: »Brandanschlag nach Trennung«

Dieser Beitrag ist mit Zustimmung des Rechteinhabers (De Gruyter) frei zugänglich.Peer Reviewe

Alternative options of using processing knowledge to populate ontologies for the recognition of urban concepts

In this paper, we present an ontology-driven approach for cartographic pattern recognition in support of map generalisation. Spatial patterns are formalised by means of ontologies which are then used to deductively trigger appropriate low level pattern recognition techniques. Modelling ontologies suited for spatial pattern recognition is discussed by example of an ontology of terraced houses. The paper subsequently focuses on approaches for inferring the instances of higher level concepts. Three different approaches are employed to detect terraced houses in Ordnance Survey MasterMap® vector data: Weighted summation; Joint Bayes classifier; and Support Vector Machines. An evaluation by comparison to a manual classification reveals that weighted summation and the Joint Bayes classifier both have satisfactory prediction accuracy, but the Joint Bayes classifier has advantages when considering the calibration effort involved. In conclusion, we claim that the ontology-driven approach better captures the complex structure of spatial patterns and provides enhanced transparency and flexibility of the pattern recognition process in comparison to conventional, purely geometric and/or statistical techniques

Osteopontin: a leading candidate adhesion molecule for implantation in pigs and sheep

Osteopontin (OPN; also known as Secreted Phosphoprotein 1, SPP1) is a secreted extra-cellular matrix (ECM) protein that binds to a variety of cell surface integrins to stimulate cell-cell and cell-ECM adhesion and communication. It is generally accepted that OPN interacts with apically expressed integrin receptors on the uterine luminal epithelium (LE) and conceptus trophectoderm to attach the conceptus to the uterus for implantation. Research conducted with pigs and sheep has significantly advanced understanding of the role(s) of OPN during implantation through exploitation of the prolonged peri-implantation period of pregnancy when elongating conceptuses are free within the uterine lumen requiring extensive paracrine signaling between conceptus and endometrium. This is followed by a protracted and incremental attachment cascade of trophectoderm to uterine LE during implantation, and development of a true epitheliochorial or synepitheliochorial placenta exhibited by pigs and sheep, respectively. In pigs, implanting conceptuses secrete estrogens which induce the synthesis and secretion of OPN in adjacent uterine LE. OPN then binds to αvβ6 integrin receptors on trophectoderm, and the αvβ3 integrin receptors on uterine LE to bridge conceptus attachment to uterine LE for implantation. In sheep, implanting conceptuses secrete interferon tau that prolongs the lifespan of CL. Progesterone released by CL then induces OPN synthesis and secretion from the endometrial GE into the uterine lumen where OPN binds integrins expressed on trophectoderm (αvβ3) and uterine LE (identity of specific integrins unknown) to adhere the conceptus to the uterus for implantation. OPN binding to the αvβ3 integrin receptor on ovine trophectoderm cells induces in vitro focal adhesion assembly, a prerequisite for adhesion and migration of trophectoderm, through activation of: 1) P70S6K via crosstalk between FRAP1/MTOR and MAPK pathways; 2) MTOR, PI3K, MAPK3/MAPK1 (Erk1/2) and MAPK14 (p38) signaling to stimulate trohectoderm cell migration; and 3) focal adhesion assembly and myosin II motor activity to induce migration of trophectoderm cells. Further large in vivo focal adhesions assemble at the uterine-placental interface of both pigs and sheep and identify the involvement of sizable mechanical forces at this interface during discrete periods of trophoblast migration, attachment and placentation in both species. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1186/2049-1891-5-56) contains supplementary material, which is available to authorized users

Phenotypic profiles of cultured glomerular cells following repeated cycles of hydrocarbon injury

Phenotypic profiles of cultured glomerular cells following repeated cycles of hydrocarbon injury.BackgroundThe glomerulus has been implicated as a target of hydrocarbon injury in vitro and in vivo. In the present studies, the phenotypic profiles of cultured rat glomerular cells (GCs) following repeated cycles of hydrocarbon injury were evaluated. Cultured GCs were incubated for 24 hours with benzo[a]pyrene (BaP; 3 μmol/L), a prototypical polycyclic aromatic hydrocarbon, and were allowed to recover overnight before two additional cycles of chemical challenge during serial propagation in vitro. At the end of this regimen, control cultures were characterized by predominance of fusiform cells that grew in “hills and valleys,” while GCs subjected to hydrocarbon injury displayed an epithelial morphology characterized by a rounded, polygonal shape clearly distinct from that normally exhibited by glomerular mesangial cells (GMCs) in culture.MethodsIndirect immunofluorescent detection of cell markers was conducted to identify cells of mesenchymal or epithelial origin. Measurements of DNA synthesis and cell number were performed to determine proliferative capacities of the different cell types in response to hydrocarbon challenge.ResultsImmunofluorescence studies revealed that control GC cultures contained mostly α-smooth muscle (SM) actin-positive cells, with a few (5.1%± 2.6) E-cadherin–positive cells occasionally identified. In contrast, BaP-treated cultures exhibited a mixed cell population in which E-cadherin–positive cells were predominant (66.6%± 4.1). Single-cell cloning of naive cultures of GCs yielded four clones, three of which exhibited a fusiform morphology and were α-SM actin positive (SCC 1 through SCC 3) and one (SCC 4E) that exhibited epithelial characteristics similar to those found in hydrocarbon-treated cultures. Immunofluorescence studies showed that epithelial cells in hydrocarbon-treated cultures, as well as SCC 4E-derived clones, were vimentin positive and cytokeratin negative, characteristics similar to glomerular visceral epithelial cells (GVECs). DNA synthesis and cell proliferation in clone SCC 1 were decreased following acute BaP challenge, while growth rates in SCC 4E-derived clones were unaffected by hydrocarbon injury. Repeated cycles of hydrocarbon challenge in clonal populations yielded different profiles of DNA synthesis, with significant decreases in SCC 1 and no changes in SCC 4E.ConclusionsThese observations suggest that hydrocarbon injury induces differential responses in cells of the glomerulus, resulting in inhibition of GMCs and selective growth advantage of GVECs. These alterations are reminiscent of critical events described in the pathogenesis of focal segmental glomerulosclerosis and raise important questions about the pathogenesis of hydrocarbon-induced nephropathies

Mechanism of Action of Phenethylisothiocyanate and Other Reactive Oxygen Species-Inducing Anticancer Agents

Reactive oxygen species (ROS)-inducing anticancer agents such as phenethylisothiocyanate (PEITC) activate stress pathways for killing cancer cells. Here we demonstrate that PEITC-induced ROS decreased expression of microRNA 27a (miR-27a)/miR-20a:miR-17-5p and induced miR-regulated ZBTB10/ZBTB4 and ZBTB34 transcriptional repressors, which, in turn, downregulate specificity protein (Sp) transcription factors (TFs) Sp1, Sp3, and Sp4 in pancreatic cancer cells. Decreased expression of miR-27a/miR-20a:miR-17-5p by PEITC-induced ROS is a key step in triggering the miR-ZBTB Sp cascade leading to downregulation of Sp TFs, and this is due to ROS-dependent epigenetic effects associated with genome-wide shifts in repressor complexes, resulting in decreased expression of Myc and the Myc-regulated miRs. Knockdown of Sp1 alone by RNA interference also induced apoptosis and decreased pancreatic cancer cell growth and invasion, indicating that downregulation of Sp transcription factors is an important common mechanism of action for PEITC and other ROS-inducing anticancer agents