TY - JOUR A1 - Mackert, Jürgen T1 - Reorganiszation and Stabilization BT - social mechanisms in ́Emile Durkheim’s professional ethics and civicMorals: a contribution to the explanation of social processes JF - Journal of classical sociology N2 - The consequences of economic globalization have created a new interest in ́EmileDurkheim’s conception of an institutional and moral reorganization of modernsociety that he developed in Professional Ethics and Civic Morals. Contrary toexisting attempts to explain these political processes towards democratization, thisarticle argues for a causal analysis of social change and concentrates on the socialmechanisms that trigger the reorganization process of modern society. Two thesesare entertained. The first thesis argues that the programme of an institutional andmoral reorganization of modern society can be reanalysed as a causal process ofdemocratization. This process takes two steps. While social mechanisms of reorgan-izationbring about the institutional and moral reorganization of modern society,social mechanisms of stabilizationguarantee the functioning of the emergingdemocratic system. Further, the second thesis argues that this kind of explanationcan be applied to Durkheim’s vision of a European confederation. The analysisreveals that his idea of a ‘post-national’ constellation refers to crucial problems ofthe recent debate regarding a democratic deficit in the European Union, and itshows that Durkheim’s contribution to both political sociology and historical-comparative research has been misconceived and prematurely repudiated. Y1 - 2004 UR - https://journals.sagepub.com/doi/epdf/10.1177/1468795X04046970 SN - 1468-795X SN - 1741-2897 VL - 4 IS - 3 SP - 311 EP - 336 PB - Sage Publ. CY - London ER - TY - JOUR A1 - Eckstein, Lars T1 - David Dabydeen Y1 - 2004 SN - 3-520-83804-4 ER - TY - JOUR A1 - Schwarz, Anja T1 - Modes of 'un-Australianness' and 'un-Germanness': Contemporary Debates on Cultural Diversity in Germany and Australia Y1 - 2004 ER - TY - JOUR A1 - Wegener, Michael A1 - Wirges, Werner A1 - Gerhard, Reimund A1 - Dansachmüller, M. A1 - Schwödiauer, R. A1 - Bauer-Gogonea, Simona A1 - Bauer, Siegfried A1 - Paajanen, Mika A1 - Minkkinen, Hannu A1 - Raukola, J. T1 - Controlled inflation of voids in cellular polymer ferroelectrets : optimizing electromechanical transducer properties N2 - When exposed to sufficiently high electric fields, polymer-foam electret materials with closed cells exhibit ferroelectric-like behavior and may therefore be called ferroelectrets. In cellular ferroelectrets, the influence of the cell size and shape distributions on the application-relevant properties is not yet understood. Therefore, controlled inflation experiments were carried out on cellular polypropylene films, and the resulting elastical and electromechanical parameters were determined. The elastic modulus in the thickness direction shows a minimum with a corresponding maximum in the electromechanical transducer coefficient. The resonance frequency shifts as a function of the elastic modulus and the relative density of the inflated cellular films. Therefore, the transducer properties of cellular ferroelectrets can be optimized by means of controlled inflation. (C) 2004 American Institute of Physics Y1 - 2004 ER - TY - JOUR A1 - Sprinz, Detlef F. T1 - Environment meets statistics : Quantitative analysis of international environmental policy Y1 - 2004 SN - 0-472-06861-X ER - TY - JOUR A1 - Sprinz, Detlef F. A1 - Wolinsky-Nahmias, Yael T1 - Introduction : Methodology in international relations research Y1 - 2004 SN - 0-472-06861-X ER - TY - JOUR ED - Sprinz, Detlef F. ED - Wolinsky-Nahmias, Yael T1 - Models, numbers and cases : methods for studying international relations Y1 - 2004 SN - 0-472-09861-6 PB - Univ. of Michigan Press CY - Ann Arbor, Mich. ET - 4. [print.] ER - TY - THES A1 - Lederer, Markus T1 - Paul, T. V., (Hrsg.), The Nation-State in Question; Princeton, Univ. Press, 2003 Y1 - 2004 ER - TY - JOUR A1 - Asghari, N. A1 - Broeg, C. A1 - Carone, L. A1 - Casas-Miranda, R. A1 - Palacio, J. C. C. A1 - Csillik, I. A1 - Dvorak, R. A1 - Freistetter, F. A1 - Hadjivantsides, G. A1 - Hussmann, H. A1 - Khramova, A. A1 - Khristoforova, M. A1 - Khromova, I. A1 - Kitiashivilli, I. A1 - Kozlowski, S. A1 - Laakso, T. A1 - Laczkowski, T. A1 - Lytvinenko, D. A1 - Miloni, O. A1 - Morishima, R. A1 - Moro-Martin, A. A1 - Paksyutov, V. A1 - Pal, A. A1 - Patidar, V. A1 - Pecnik, B. A1 - Peles, O. A1 - Pyo, J. A1 - Quinn, T. A1 - Rodriguez, A. A1 - Romano, C. A1 - Saikia, E. A1 - Stadel, J. A1 - Thiel, M. A1 - Todorovic, N. A1 - Veras, D. A1 - Neto, E. V. A1 - Vilagi, J. A1 - von Bloh, Werner A1 - Zechner, R. A1 - Zhuchkova, E. T1 - Stability of terrestrial planets in the habitable zone of G1 777 A, HD 72659, G1 614, 47 Uma and HD 4208 N2 - We have undertaken a thorough dynamical investigation of five extrasolar planetary systems using extensive numerical experiments. The systems Gl 777 A, HD 72659, Gl 614, 47 Uma and HD 4208 were examined concerning the question of whether they could host terrestrial-like planets in their habitable zones (HZ). First we investigated the mean motion resonances between fictitious terrestrial planets and the existing gas giants in these five extrasolar systems. Then a fine grid of initial conditions for a potential terrestrial planet within the HZ was chosen for each system, from which the stability of orbits was then assessed by direct integrations over a time interval of 1 million years. For each of the five systems the 2-dimensional grid of initial conditions contained 80 eccentricity points for the Jovian planet and up to 160 semimajor axis points for the fictitious planet. The computations were carried out using a Lie-series integration method with an adaptive step size control. This integration method achieves machine precision accuracy in a highly efficient and robust way, requiring no special adjustments when the orbits have large eccentricities. The stability of orbits was examined with a determination of the Renyi entropy, estimated from recurrence plots, and with a more straightforward method based on the maximum eccentricity achieved by the planet over the 1 million year integration. Additionally, the eccentricity is an indication of the habitability of a terrestrial planet in the HZ; any value of e > 0.2 produces a significant temperature difference on a planet's surface between apoapse and periapse. The results for possible stable orbits for terrestrial planets in habitable zones for the five systems are: for Gl 777 A nearly the entire HZ is stable, for 47 Uma, HD 72659 and HD 4208 terrestrial planets can survive for a sufficiently long time, while for Gl 614 our results exclude terrestrial planets moving in stable orbits within the HZ. Studies such as this one are of primary interest to future space missions dedicated to finding habitable terrestrial planets in other stellar systems. Assessing the likelihood of other habitable planets, and more generally the possibility of other life, is the central question of astrobiology today. Our investigation indicates that, from the dynamical point of view, habitable terrestrial planets seem to be compatible with many of the currently discovered extrasolar systems Y1 - 2004 UR - http://www.aanda.org/ U6 - https://doi.org/10.1051/0004-6361:20040390 SN - 0004-6361 ER - TY - JOUR A1 - Sprinz, Detlef F. A1 - Wolinsky-Nahmias, Yael T1 - Conclusion : Multimedhod Research Y1 - 2004 SN - 0-472-06861-X ER - TY - JOUR A1 - Lederer, Markus T1 - Reuter, P., Truman, E. M., Chasing dirty money, the fight agaist money laundering; Washington D.C., Institute for International Economics, 2004 BT - Chasind dirty money : the fight against money laundering Y1 - 2004 UR - http://www.globallawbooks.org/reviews/detail.asp?id=181 ER - TY - JOUR A1 - Richter, Gudrun A1 - Wassermann, Jürgen A1 - Zimmer, Martin A1 - Ohrnberger, Matthias T1 - Correlation of seismic activity and fumarole temperature at the Mt. Merapi volcano (Indonesia) in 2000 N2 - In this paper we present densely sampled fumarole temperature data, recorded continuously at a high-temperature fumarole of Mt. Merapi volcano (Indonesia). These temperature time series are correlated with continuous records of rainfall and seismic waveform data collected at the Indonesian - German multi-parameter monitoring network. The correlation analysis of fumarole temperature and precipitation data shows a clear influence of tropical rain events on fumarole temperature. In addition, there is some evidence that rainfall may influence seismicity rates, indicating interaction of meteoric water with the volcanic system. Knowledge about such interactions is important, as lava dome instabilities caused by heavy-precipitation events may result in pyroclastic flows. Apart from the strong external influences on fumarole temperature and seismicity rate, which may conceal smaller signals caused by volcanic degassing processes, the analysis of fumarole temperature and seismic data indicates a statistically significant correlation between a certain type of seismic activity and an increase in fumarole temperature. This certain type of seismic activity consists of a seismic cluster of several high-frequency transients and an ultra-long-period signal (< 0.002 Hz), which are best observed using a broadband seismometer deployed at a distance of 600 m from the active lava dome. The corresponding change in fumarole temperature starts a few minutes after the ultra-long-period signal and simultaneously with the high-frequency seismic cluster. The change in fumarole temperature, an increase of 5 degreesC on average, resembles a smoothed step. Fifty-four occurrences of simultaneous high-frequency seismic cluster, ultra-long period signal and increase of fumarole temperature have been identified in the data set from August 2000 to January 2001. The observed signals appear to correspond to degassing processes in the summit region of Mt. Merapi. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 UR - http://www.sciencedirect.com/science/journal/03770273 U6 - https://doi.org/10.1016/j.jvolgeores.2004.03.006 SN - 0377-0273 ER - TY - JOUR A1 - Yang, C. A1 - Vardeny, Z. V. A1 - Köhler, Anna A1 - Wohlgenannt, M. A1 - Al-Suti, Mohammed K. A1 - Khan, Muhammad S. T1 - Spectroscopic study of spin-dependent exciton formation rates in pi-conjugated semiconductors : Comparison with electroluminescence techniques N2 - It has been found in recent measurements that the singlet-to-triplet exciton ratio in organic light-emitting diodes (OLEDs) is larger than expected from spin degeneracy, and that singlet excitons form at a larger rate than triplets. We employed the technique of optically detected magnetic resonance to measure the spin-dependent exciton formation rates in films of a polymer and corresponding monomer, and explore the relation between the formation rates and the actual singlet-to-triplet ratio measured previously in OLEDs. We found that the spin-dependent exciton formation rates can indeed quantitatively explain the observed exciton yields, and that singlet formation rates and yields are significantly enhanced only in polymer OLEDs, but not in OLEDs made from the corresponding monomer Y1 - 2004 ER - TY - JOUR A1 - Shumyantseva, V. V. A1 - Ivanov, Y. D. A1 - Bistolas, Nikitas A1 - Scheller, Frieder W. A1 - Archakov, Alexander I. A1 - Wollenberger, Ursula T1 - Direct electron transfer of cytochrome P450 2B4 at electrodes modified with non-ionic detergent and colloidal clay nanoparticles N2 - A method for construction of biosensors with membranous cytochrome P450 isoenzymes was developed based on clay/ detergent/protein mixed films. Thin films of sodium montmorillonite colloid with incorporated cytochrome P450 2134 (CYP2B4) with nonionic detergent were prepared on glassy carbon electrodes. The modified electrodes were electrochemically characterized, and bio-electrocatalytic reactions were followed. CYP2B4 can be reduced fast on clay- modified glassy carbon electrodes in the presence of the nonionic detergent Tween 80. In anaerobic solutions, reversible oxidation and reduction is obtained with a formal potential between -0.292 and - 0.305 V vs Ag/AgCl 1 M KCl depending on the preparation of the biosensor. In air-saturated solution, bio-electrocatalytic reduction currents can be obtained with the CYP2B4-modified electrode on addition of typical substrates such as aminopyrine and benzphetamine. This reaction was suppressed when methyrapone, an inhibitor of P450 reactions, was present. Measurement of product formation also indicates the bioelectrocatialysis by CYP2B4 Y1 - 2004 ER - TY - JOUR A1 - Khan, Amena L. T. A1 - Sreearunothai, Paiboon A1 - Herz, Laura M. A1 - Banach, Michael J. A1 - Köhler, Anna T1 - Morphology-dependent energy transfer within polyfluorene thin films Y1 - 2004 ER - TY - JOUR A1 - Strehmel, Veronika A1 - Kraudelt, Heide A1 - Wetzel, Hendrik A1 - Görnitz, Eckhard A1 - Laschewsky, André T1 - Free radical polymerization of methacrylates in ionic liquids Y1 - 2004 ER - TY - JOUR A1 - Sanner, Helge T1 - Economy vs. history : what does actually determine the distribution of firms' locations in cities? Y1 - 2004 ER - TY - BOOK A1 - Mihahn, Michael A1 - Schnor, Bettina T1 - Fault-Tolerant Grid Peer Services T3 - Technischer Bericht Y1 - 2004 SN - 0946-7580 PB - Universität Potsdam, Institut für Informatik CY - Potsdam ER - TY - JOUR A1 - Yang, Xiao Hui A1 - Jaiser, Frank A1 - Neher, Dieter A1 - Lawson, PaDreyia V. A1 - Brédas, Jean-Luc A1 - Zojer, Egbert A1 - Güntner, Roland A1 - Scanduicci de Freitas, Patricia A1 - Forster, Michael A1 - Scherf, Ullrich T1 - Suppression of the keto-emission in polyfluorene light-emitting diodes : Experiments and models N2 - The spectral characteristics of polyfluorene (PF)-based light-emitting diodes (LEDs) containing a defined low concentration of either keto-defects or of the polymer poly(9.9-octylfuorene-co-benzothiadiazole) (F8BT) are preseneted. Both types of blend layers were tested in different device configurations with respect to the relative and absolute intensities of green blue emission components. It is shown that blending hole-transporting molecules into the emission layer at low concentration or incorporation of a suitable hole-transport layer reduces the green emission contribution in the electroluminescence (EL) spectrum of the PF:F8BT blend, which is similar to what is observed for the keto- containing PF layer. We conclude that the keto-defects in PF homopolymer layers mainly constitute weakly emissive electron traps, in agreement with the results of quantum-mechanical calculations Y1 - 2004 SN - 1616-301X ER - TY - JOUR A1 - Zbilut, J. P. A1 - Giuliani, A. A1 - Colosimo, A. A1 - Mitchell, J. C. A1 - Colafranceschi, M. A1 - Marwan, Norbert A1 - Webber, C. L. A1 - Uversky, V. N. T1 - Charge and hydrophobicity patterning along the sequence predicts the folding mechanism and aggregation of proteins : a computational approach N2 - The presence of partially folded intermediates along the folding funnel of proteins has been suggested to be a signature of potentially aggregating systems. Many studies have concluded that metastable, highly flexible intermediates are the basic elements of the aggregation process. In a previous paper, we demonstrated how the choice between aggregation and folding behavior was influenced by hydrophobicity distribution patterning along the sequence, as quantified by recurrence quantification analysis (RQA) of the Myiazawa-Jernigan coded primary structures. In the present paper, we tried to unify the "partially folded intermediate" and "hydrophobicity/charge" models of protein aggregation verifying the ability of an empirical relation, developed for rationalizing the effect of different mutations on aggregation propensity of acyl-phosphatase and based on the combination of hydrophobicity RQA and charge descriptors, to discriminate in a statistically significant way two different protein populations: (a) proteins that fold by a process passing by partially folded intermediates and (b) proteins that do not present partially folded intermediates Y1 - 2004 SN - 1535-3893 ER - TY - JOUR A1 - Wyrwa, Ulrich T1 - The roots of evil : the foundation years of anti-semitism : from the time of Bismarck to Hitler Y1 - 2004 SN - 0044-2828 ER - TY - JOUR A1 - Selting, Margret T1 - Dresden Fallbogen contours as an example of regionalized German intonation N2 - Based on data from a Mid-German dialect area of Dresden, this article presents research on the structure and functions of regionalized intonation. The Dresden data comes from informal conversation-like settings and illustrates a contour that is typical of the Dresden city vernacular: a contour previously named and described as the Dresden Fallbogen. An analysis of the phonetic forms and phonological structures of the contour is provided, and its use and function in conversational interactions is described. Additional methods of investigating the perception and identification of these contours by subjects in an experimental setting are also given. The article concludes with remarks about the possible relevance of this contour as a signal of identity Y1 - 2004 ER - TY - JOUR A1 - Wischer, Ilse T1 - Old English Prefixed Verbs and the Question of Aspect and Aktionsart Y1 - 2004 SN - 3-88476- 702-X ER - TY - JOUR A1 - Wischer, Ilse T1 - The HAVE-perfect in Old English Y1 - 2004 ER - TY - JOUR A1 - Webster, J. D. A1 - Thomas, R. A1 - Förster, Hans-Jürgen A1 - Seltmann, R. A1 - Tappen, C. T1 - Geochemical evolution of halogen-enriched granite magmas and mineralizing fluids of the Zinnwald tin-tungsten mining district, Erzgebirge, Germany N2 - We remelted and analyzed crystallized silicate melt inclusions in quartz from a porphyritic albitezinnwaldite microgranite dike to determine the composition of highly evolved, shallowly intruded, Li- and F-rich granitic magma and to investigate the role of crystal fractionation and aqueous fluid exsolution in causing the extreme extent of magma differentiation. This dike is intimately associated with tin- and tungsten-mineralized granites of Zinnwald, Erzgebirge, Germany. Prior research on Zinnwald granite geochemistry was limited by the effects of strong and pervasive greisenization and alkali-feldspar metasomatism of the rocks. These melt inclusions, however, provide important new constraints on magmatic and mineralizing processes in Zinnwald magmas. The mildly peraluminous granitic melt inclusions are strongly depleted in CAFEMIC constituents (e.g., CaO, FeO, MgO, TiO2), highly enriched in lithophile trace elements, and highly but variably enriched in F and Cl. The melt inclusions contain up to several thousand ppm Cl and nearly 3 wt% F, on average; several inclusions contain more than 5 wt% F. The melt inclusions are geochemically similar to the corresponding whole-rock sample, except that the former contain much more F and less CaO, FeO, Zr, Nb, Sr, and Ba. The Sr and Ba abundances are very low implying the melt inclusions represent magma that was more evolved than that represented by the bulk rock. Relationships involving melt constituents reflect increasing lithophile-element and halogen abundances in residual melt with progressive magma differentiation. Modeling demonstrates that differentiation was dominated by crystal fractionation involving quartz and feldspar and significant quantities of topaz and F-rich zinnwaldite. The computed abundances of the latter phases greatly exceed their abundances in the rocks, suggesting that the residual melt was separated physically from phenocrysts during magma movement and evolution. Interactions of aqueous fluids with silicate melt were also critical to magma evolution. To better understand the role of halogen-charged, aqueous fluids in magmatic differentiation and in subsequent mineralization and metasomatism of the Zinnwald granites, Cl-partitioning experiments were conducted with a F-enriched silicate melt and aqueous fluids at 2,000 bar (200 MPa). The results of the experimentally determined partition coefficients for Cl and F, the compositions of fluid inclusions in quartz and other phenocrysts, and associated geochemical modeling point to an important role of magmatic-hydrothermal fluids in influencing magma geochemistry and evolution. The exsolution of halogen-charged fluids from the Li- and F- enriched Zinnwald granitic magma modified the Cl, alkali, and F contents of the residual melt, and may have also sequestered Li, Sri, and W from the melt. Many of these fluids contained strongly elevated F concentrations that were equivalent to or greater than their Cl abundances. The exsolution of F-, Cl-, Li-, +/- W- and Sn-bearing hydrothermal fluids from Zinnwald granite magmas was important in effecting the greisenizing and alkali-feldspathizing metasomatism of the granites and the concomitant mineralization Y1 - 2004 SN - 0026-4598 ER - TY - JOUR A1 - Simon, Theresia Maria T1 - Alternatives to strategic positioning of a university library N2 - In the past academic libraries in Germany have been successfully undertaking joint endeavors toward a social and political definition of the knowledge society by cooperatively developing ways to provide information and increasing the digital forms of metadata and media. In doing so, they have unintentionally created the basis for a competitive playing field in which the individual library must establish strategic positions for success if it is to maintain viability and ensure continuous flow of resources. This article develops a framework for discussing such alternative and potentially successful strategies from the point of view of a university library Y1 - 2004 SN - 0044-2380 ER - TY - JOUR A1 - Wilke, Max A1 - Partzsch, G. M. A1 - Farges, Francois T1 - XAFS of iron in silicate melt at high temperature Y1 - 2004 SN - 0024-4937 ER - TY - JOUR A1 - Tuval, I. A1 - Schneider, J. A1 - Piro, O. A1 - Tel, Tomas T1 - Opening up fractal structures of three-dimensional flows via leaking N2 - We study the behavior of time-periodic three-dimensional incompressible flows modelled by three-dimensional volume-preserving maps in the presence of a leakage. The distribution of residence times, and the chaotic saddle together with its stable and unstable invariant manifolds are described and characterized. They shed light. on typical filamentation of chaotic flows whose local stable and unstable manifolds are always of different, character (plane or line). We point out that leaking is a useful method which sheds light on typical filamentation of chaotic flows. In particular; the topology depends on the number of local expanding directions, and is the same in the leaked system as in the closed flow Y1 - 2004 SN - 0295-5075 ER - TY - JOUR A1 - Srama, Ralf A1 - Ahrens, Thomas J. A1 - Altobelli, Nicolas A1 - Auer, S. A1 - Bradley, J. G. A1 - Burton, M. A1 - Dikarev, V. V. A1 - Economou, T. A1 - Fechtig, Hugo A1 - Görlich, M. A1 - Grande, M. A1 - Graps, Amara A1 - Grün, Eberhard A1 - Havnes, Ove A1 - Helfert, Stefan A1 - Horanyi, Mihaly A1 - Igenbergs, E. A1 - Jessberger, Elmar K. A1 - Johnson, T. V. A1 - Kempf, Sascha A1 - Krivov, Alexander v. A1 - Krüger, Harald A1 - Mocker-Ahlreep, Anna A1 - Moragas-Klostermeyer, Georg A1 - Lamy, Philippe A1 - Landgraf, Markus A1 - Linkert, Dietmar A1 - Linkert, G. A1 - Lura, F. A1 - McDonnell, J. A. M. A1 - Moehlmann, Dirk A1 - Morfill, Gregory E. A1 - Muller, M. A1 - Roy, M. A1 - Schafer, G. A1 - Schlotzhauer, G. A1 - Schwehm, Gerhard H. A1 - Spahn, Frank A1 - Stübig, M. A1 - Svestka, Jiri A1 - Tschernjawski, V T1 - The Cassini Cosmic Dust Analyzer N2 - The Cassini-Huygens Cosmic Dust Analyzer (CDA) is intended to provide direct observations of dust grains with masses between 10(-19) and 10(-9) kg in interplanetary space and in the jovian and saturnian systems, to investigate their physical, chemical and dynamical properties as functions of the distances to the Sun, to Jupiter and to Saturn and its satellites and rings, to study their interaction with the saturnian rings, satellites and magnetosphere. Chemical composition of interplanetary meteoroids will be compared with asteroidal and cometary dust, as well as with Saturn dust, ejecta from rings and satellites. Ring and satellites phenomena which might be effects of meteoroid impacts will be compared with the interplanetary dust environment. Electrical charges of particulate matter in the magnetosphere and its consequences will be studied, e.g. the effects of the ambient plasma and the magnetic held on the trajectories of dust particles as well as fragmentation of particles due to electrostatic disruption. The investigation will be performed with an instrument that measures the mass, composition, electric charge, speed, and flight direction of individual dust particles. It is a highly reliable and versatile instrument with a mass sensitivity 106 times higher than that of the Pioneer 10 and I I dust detectors which measured dust in the saturnian system. The Cosmic Dust Analyzer has significant inheritance from former space instrumentation developed for the VEGA, Giotto, Galileo, and Ulysses missions. It will reliably measure impacts from as low as I impact per month up to 104 impacts per second. The instrument weighs 17 kg and consumes 12 W, the integrated time-of-flight mass spectrometer has a mass resolution of up to 50. The nominal data transmission rate is 524 bits/s and varies between 50 and 4192 bps Y1 - 2004 SN - 0038-6308 ER - TY - JOUR A1 - Tahtinen, Petri A1 - Bagno, Alessandro A1 - Koch, Andreas A1 - Pihlaja, Kalevi T1 - Conformational analysis of saturated trans-fused 1,3,2-benzoxazaphosphinine 2-oxides - DFT calculation of NMR J(PH) coupling constants N2 - The (3)J(P,H) and (4)J(P,H) spin-spin coupling constants of a selected test set of organophosphorus compounds, calculated by density functional theory (DFT) methods, were found to correlate well with the experimentally measured coupling constants. The contribution of the spin-dipole (SD) term to the coupling constants was found to be negligible, and the diamagnetic and paramagnetic spin-orbit (DSO and PSO) terms cancelled each other, as in the case of J(H,H). Calculation solely of the Fermi contact (FC) term was found to be sufficient to provide good estimates of the coupling constants. In the second part of the work, the conformational equilibria and coupling constants in 2-bis(2- chloroethyl)amino-trans-octahydro-2H-1,3,2-benzoxazaphosphinine 2-oxide and its 3-methyl derivative were studied. DFT methods failed in predicting the relative stabilities of the conformations but yielded good geometries and coupling constants. Optimization of the conformations at the Moller-Plesset second-order perturbation theory (MP2) level resulted in energy differences compatible with previous experimental observations. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004) Y1 - 2004 SN - 1434-193X ER - TY - JOUR A1 - Stede, Manfred T1 - Does discourse processing need discourse topics? Y1 - 2004 SN - 0301-4428 ER - TY - JOUR A1 - Wilke, Max A1 - Partzsch, G. M. A1 - Bernhardt, Rita A1 - Lattard, D. T1 - Determination of the iron oxidation state in basaltic glasses using XANES at the K-edge N2 - Fe K-edge X-ray absorption near edge structure (XANES) and Mossbauer spectra were collected on synthetic glasses of basaltic composition and of glasses on the sodium oxide-silica binary to establish a relation between the pre- edge of the XANES at the K-edge and the Fe oxidation state of depolymerised glasses. Charges of sample material were equilibrated at ambient pressure, superliquidus temperatures and oxygen fugacities that were varied over a range of about 15 orders of magnitude. Most experiments were carried out in gas-flow furnaces, either with pure oxygen, air, or different CO/CO2 mixtures. For the most reduced conditions, the samples charges were enclosed together with a pellet of the IQF oxygen buffer in an evacuated silica glass ampoule. Fe3+/SigmaFe x 100 of the samples determined by Mossbauer spectroscopy range between 0% and 100%. Position and intensity of the pre-edge centroid position vary strongly depending on the Fe oxidation state. The pre-edge centroid position and the Fe oxidation state determined by Mossbauer spectroscopy are nonlinearly related and have been fitted by a quadratic polynomial. Alternatively, the ratio of intensities measured at positions sensitive to Fe2+ and Fe3+, respectively, provides an even more sensitive method. Pre- edge intensities of the sample suite indicate average Fe co-ordination between 4 and 6 for all samples regardless of oxidation state. A potential application of the calibration given here opens the possibility of determining Fe oxidation state in glasses of similar compositions with high spatial resolution by use of a Micro-XANES setup (e.g., glass inclusions in natural minerals). (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0009-2541 ER - TY - JOUR A1 - Senge, Mathias O. A1 - Richter, J. T1 - Synthetic, transformations of porphyrins : Advances 2002-2004 N2 - Contemporary methods for the modification of porphyrins are presented. In association with the Third International Conference on Porphyrins and Phthalocyanines (ICPP-3) a survey of current method developments and reactivity studies is made. The review focuses on synthetic transformations of porphyrins currently in use for various applications and on functional group transformations. A brief survey of important developments covers selectively the literature from late 2001 to early 2004. Copyright (c) 2004 Society of Porphyrins C Phthalocyanines Y1 - 2004 SN - 1088-4246 ER - TY - JOUR A1 - Schrader, Sigurd A1 - Penzkofer, Alfons A1 - Holzer, W. A1 - Velagapudi, Ramakrishna A1 - Grimm, Bernhard T1 - Laser spectroscopic investigation of a new precursor - type polyparaphenylenevinylene N2 - Optical, structural and morphological properties of thin films of polyparaphenylenevinylene (PPV) formed by an alkyl sulfinyl precursor route have been studied. Thin films were fabricated on an optical glass and on quartz glass either by spin-coating of the precursor solution or by layer-by-layer deposition using Langmuir-Blodgett technique. PPV precursor films were also spin-coated on gold-coated glass in order to study thin-film optical parameters by surface plasmon spectroscopy. We have been successful in forming about 40 precursor mono layers on quartz glass by Langmuir- Blodgett technique using optimized surface pressure and dipping conditions. After thermal conversion of the precursor layers good quality fluorescent PPV films of yellow colour have been obtained. Optical characterization of the films was carried out by linear absorption and emission spectroscopy, ellipsometry, and surface plasmon spectroscopy. Structural and morphological studies on the thin films were carried out by using X-ray scattering and atomic force microscopy. Wave- guided travelling-wave laser action has been achieved in a PPV film on quartz glass. The sample was transversally pumped with picosecond laser pulses (wavelength 347.15 nm, duration 35 ps). Laser emission occurred at 550 nm for pump pulse energy densities above 1 x 10(-4) J cm(-2). (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0022-2313 ER - TY - JOUR A1 - Segert, Astrid A1 - Zierke, Irene T1 - Stakeholder networks on sustainable management in rural areas N2 - The situation of the German agricultural economy is currently somewhat problematic and requires transitions to sustainable development. The authors consider the network of different stakeholders in rural areas an important social resource for the transition to sustainable agriculture as the change in European and national agricultural policies requires active target groups at regional level. On the empirical basis of two case examples in East German rural areas, they studied the establishment of rural networks and their social development conditions. The study demonstrates how such regional networks must be organised and what socio-cultural contexts are shaping them. The institutionalisation of guiding principles for collaborative cooperation and the incorporation of regional networks in a framework of social environments are of significance for their formation and their ability to flexibly adapt to changing environmental conditions Y1 - 2004 SN - 0005-9080 ER - TY - JOUR A1 - Saalfrank, Peter T1 - Theory of photon- and STM-induced bond cleavage at surfaces N2 - In this contribution, recent advances in the theory of laser and, to a lesser extent, of scanning tunneling microscope (STM) induced cleavage of bonds between an adsorbate and a solid surface, will be reviewed. Special emphasis will be given to the quantum dynamics of electronically non-adiabatic reactions. (c) 2005 Elsevier Ltd. All rights reserved Y1 - 2004 SN - 1359-0286 ER - TY - JOUR A1 - Scherbaum, Frank A1 - Cotton, Fabrice A1 - Smit, P. T1 - On the use of response spectral-reference data for the selection and ranking of ground-motion models for seismic-hazard analysis in regions of moderate seismicity : the case of rock motion N2 - The use of ground-motion-prediction equations to estimate ground shaking has become a very popular approach for seismic-hazard assessment, especially in the framework of a logic-tree approach. Owing to the large number of existing published ground-motion models, however, the selection and ranking of appropriate models for a particular target area often pose serious practical problems. Here we show how observed around-motion records can help to guide this process in a systematic and comprehensible way. A key element in this context is a new, likelihood based, goodness-of-fit measure that has the property not only to quantify the model fit but also to measure in some degree how well the underlying statistical model assumptions are met. By design, this measure naturally scales between 0 and 1, with a value of 0.5 for a situation in which the model perfectly matches the sample distribution both in terms of mean and standard deviation. We have used it in combination with other goodness-of-fit measures to derive a simple classification scheme to quantify how well a candidate ground-rnotion-prediction equation models a particular set of observed-response spectra. This scheme is demonstrated to perform well in recognizing a number of popular ground-motion models from their rock-site- recording, subsets. This indicates its potential for aiding the assignment of logic-tree weights in a consistent and reproducible way. We have applied our scheme to the border region of France, Germany, and Switzerland where the M-w 4.8 St. Die earthquake of 22 February 2003 in eastern France recently provided a small set of observed-response spectra. These records are best modeled by the ground-motion-prediction equation of Berge-Thierry et al. (2003), which is based on the analysis of predominantly European data. The fact that the Swiss model of Bay et al. (2003) is not able to model the observed records in an acceptable way may indicate general problems arising from the use of weak-motion data for strong-motion prediction Y1 - 2004 SN - 0037-1106 ER - TY - JOUR T1 - Preparation of simple and mixed nickel and cobalt molybdates using hybrid precursors made from an ordered polymer matrix and inorganic salts N2 - The amphiphilic poly(ampholyte) poly(N,N-diallyl-N-hexylamine-alt-maleic acid), bearing simultaneously carboxylic acids, amines and hydrocarbon side chains, was used as a matrix to stabilize inorganic ion species (anionic as well as cationic) generated in aqueous solution from Ni(NO3)(2).6H(2)O, Co(NO3)(2).6H(2)O and (NH4)2MoO(4). Drying produces hybrid organic-inorganic blends which, due to the amphiphilicity of the copolymer, exhibit supramolecular organization in the bulk. Solid state studies show that up to two moles of metal cations (alone or together with metal anions) per repeat unit of the copolymer can be blended without loss of homogeneity in the hybrid material. A systematic screening permitted the determination of the optimal conditions for the preparation of homogeneous blends. Thermal treatment of the hybrid materials produces simple and mixed nickel and/or cobalt molybdates. The alpha- as well as the P- phase were obtained, and the mixed structures are solid solutions of simple NiMoO4 and CoMoO4 Y1 - 2004 ER - TY - JOUR A1 - Rühl, Ralph A1 - Hamscher, Gerd A1 - Garcia, Ada A1 - Nau, Heinz A1 - Schweigert, Florian J. T1 - Identification of 14-hydroxy-retro-retinol and 4-hydroxy-retinol as endogenous retinoids in rats throughout neonatal development N2 - 14-Hydroxy-retro-retinol was previously described as an in vivo and in vitro metabolite of retinol. Furthermore, the retinoid 4-hydroxy-retinol was identified as an endogenous occurring retinoid in the amphibian organism and an in vitro metabolite of retinol. We describe in the present study that 14-hydroxy-retro-retinol and 4-hydroxy- retinol are present in normal neonatal rat serum as endogenous occurring retinoids in normal non-vitamin A supplemented mammals (rats). Both retinoids were detected in serum and liver of neonatal rats at days 3 and 11 after birth. The respective concentrations at day 11 after birth were 41.8 +/- 2.8 ng/ml (serum)/ 104 +/- 6 ng/g (liver) for 4-hydroxy- retinol and 23 +/- 4.6 ng/ml (serum)/ 285 +/- 5 ng/g (liver) for 14-hydroxy-retro-retinol. Both retinoids could not be detected in adult rat serum and liver. From our experiments important physiological functions of these retinoids during postnatal development could be postulated. (C) 2004 Elsevier Inc. All rights reserved Y1 - 2004 SN - 0024-3205 ER - TY - JOUR A1 - Rötzler, Jochen A1 - Romer, R. L. A1 - Budzinski, Hubertus A1 - Oberhänsli, Roland T1 - Ultrahigh-temperature high-pressure granulites from Tirschheim, Saxon Granulite Massif, Germany : P-T-t path and geotectonic implications N2 - The Saxon granulites, the type granulite locality, were deeply buried, extremely heated and then rapidly exhumed during the Variscan Orogeny; thus their evolution differs from many granulites elsewhere. The peak-metamorphic assemblages of layered felsic-mafic granulites from a 500 m deep borehole consist of garnet, kyanite, rutile, ternary feldspar and quartz in felsic granulite, and garnet, omphacite, titanite, ternary feldspar and quartz in mafic granulite. A minimum temperature of 1000-1020degreesC, calculated from reintegrated hypersolvus feldspar in felsic and mafic granulites, is consistent with the highest temperature estimates from garnet-clinopyroxene equilibria. Various equilibria in felsic and mafic granulites record a peak pressure of about 23 kbar. Diffusion zoning and local homogenisation of minerals reflect near-isothermal decompression that preceded cooling and partial hydration at medium- to low-pressure. U-Pb dating of titanite yields an age of peak metamorphism at 340.7+/-0.8 Ma (2sigma). However, chemical inheritance from precursor rutile and post-peak Pb loss are also evident, suggesting a protolith age of 499+/-2 Ma (2sigma) and partial resetting down to an age of 333+/-2 Ma (2sigma). Rb-Sr mica ages of 333.2+/-3.3 Ma (2sigma) are interpreted as dating cooling through about 620degreesC. Hence the Saxon granulites were exhumed to the upper crust during the short period of 6-11 Ma, which corresponds to average exhumation and cooling rates of 10 mm/year and 50degreesC/Ma, respectively. Such rapid exhumation is inconsistent with recent numerical models that assume foreland- directed transport of the Saxon granulites in the lower crust followed by extensional unroofing. Instead, high-pressure rocks of the Saxon Granulite Massif and the nearby Erzgebirge experienced a buoyant rise to the middle crust and subsequent juxtaposition with structurally higher units along a series of medium- to low-pressure detachment faults Y1 - 2004 SN - 0935-1221 ER - TY - JOUR A1 - Rosenblum, Michael A1 - Pikovskij, Arkadij T1 - Delayed feedback control of collective synchrony : an approach to suppression of pathological brain rhythms N2 - We suggest a method for suppression of synchrony in a globally coupled oscillator network, based on the time- delayed feedback via the mean field. Having in mind possible applications for suppression of pathological rhythms in neural ensembles, we present numerical results for different models of coupled bursting neurons. A theory is developed based on the consideration of the synchronization transition as a Hopf bifurcation Y1 - 2004 SN - 1063-651X ER - TY - JOUR A1 - Richter, Eike M. A1 - Engbert, Ralf T1 - Parafoveal processing during reading Y1 - 2004 SN - 0301-0066 ER - TY - JOUR A1 - Féry, Caroline T1 - German accent revisited Y1 - 2004 ER - TY - JOUR A1 - Peters, Karl A1 - Peters, E. M. A1 - Rebien, F. A1 - Maurer, M. A1 - Linker, Torsten T1 - Crystal structure of (3aS,4S,9R,9aS)-4-hydroxy-9-phenyl-3a,4,9,9a-tetra-hydro-3H-naphtho[2,3- c]furan-1- one,C18H16O3 N2 - C18H16O3, monoclinic, P12(1)/n1 (no. 14), a = 8.284(l) Angstrom, b = 9.524(l) Angstrom, c = 17.729(1) Angstrom, beta = 93.69(1)degrees, V = 1395.9 Angstrom(3), Z = 4, R-gt(F) = 0.052, wR(ref)(F-2) = 0.146, T = 293 K. Y1 - 2004 SN - 1433-7266 ER - TY - JOUR A1 - Peters, Karl A1 - Peters, E. M. A1 - Rebien, F. A1 - Engelhardt, Ulrike A1 - Linker, Torsten T1 - Crystal structure of methyl (1R,4S)-4-hydroxy-1-phenyl-1,4-dihydronaphthalene-2-carboxylate,C18H16O3 N2 - C18H16O3, monoclinic, C12/c1 (no. 15), a = 28.674(4) Angstrom, b = 8.133(1) Angstrom, c = 13.065(2) Angstrom, beta = 108.96(1)degrees, V = 2881.6 Angstrom Z = 8, R-gt(F) = 0.077, wR(ref)(F-2) = 0.245, T = 293 K. Y1 - 2004 SN - 1433-7266 ER - TY - JOUR A1 - Pacholsky, Dirk A1 - Vakeel, Padmanabhan A1 - Himmel, Mirko A1 - Lowe, T. A1 - Stradal, T. A1 - Rottner, K. A1 - Fürst, Dieter Oswald A1 - vanderVen, Peter F. M. T1 - Xin repeats define a novel actin-binding motif N2 - Xin is a protein that is expressed during early developmental stages of cardiac and skeletal muscles. Immunolocalization studies indicated a peripheral localization in embryonic mouse heart, where Xin localizes with beta- catenin and N-cadherin. In adult tissues, Xin is found primarily in the intercalated discs of cardiomyocytes and the myotendinous junctions of skeletal muscle cells, both specialized attachment sites of the myofibrillar ends to the sarcolemma. A large part of the Xin protein consists of unique 16 amino acid repeats with unknown function. We have investigated the characteristics of the Xin repeats by transfection experiments and actin-binding assays and ascertained that, upon expression in cultured cells, these repeats bind to and stabilize the actin-based cytoskeleton. In vitro co- sedimentation assays with skeletal muscle actin indicated that they not only directly bind actin filaments, but also have the capability of arranging microfilaments into networks that sediment upon low-speed centrifugation. Very similar repeats were also found in Xin-repeat protein 2' (XIRP2), a novel protein that seems to be expressed mainly in striated muscles. Human XIRP2 contains 28 Xin repeats with properties identical to those of Xin. We conclude that the Xin repeats define a novel, repetitive actin-binding motif present in at least two different muscle proteins. These Xin- repeat proteins therefore constitute the first two members of a novel family of actin-binding proteins Y1 - 2004 SN - 0021-9533 ER - TY - JOUR A1 - Ziehe, Andreas A1 - Kawanabe, Motoaki A1 - Harmeling, Stefan T1 - Blind separation of post-nonlinear mixtures using linearizing transformations and temporal decorrelation N2 - We propose two methods that reduce the post-nonlinear blind source separation problem (PNL-BSS) to a linear BSS problem. The first method is based on the concept of maximal correlation: we apply the alternating conditional expectation (ACE) algorithm-a powerful technique from nonparametric statistics-to approximately invert the componentwise nonlinear functions. The second method is a Gaussianizing transformation, which is motivated by the fact that linearly mixed signals before nonlinear transformation are approximately Gaussian distributed. This heuristic, but simple and efficient procedure works as good as the ACE method. Using the framework provided by ACE, convergence can be proven. The optimal transformations obtained by ACE coincide with the sought-after inverse functions of the nonlinearitics. After equalizing the nonlinearities, temporal decorrelation separation (TDSEP) allows us to recover the source signals. Numerical simulations testing "ACE-TD" and "Gauss-TD" on realistic examples are performed with excellent results Y1 - 2004 SN - 1532-4435 ER - TY - JOUR A1 - Zhuk, Alexandre A1 - Gunther, U. T1 - Massive scalar fields in the early universe N2 - We discuss the role of gravitational excitons/radions in different cosmological scenarios. Gravitational excitons are massive moduli fields which describe conformal excitations of the internal spaces and which, due to their Planck-scale suppressed coupling to matter fields, are WIMPs. It is demonstrated that, depending on the concrete scenario, observational cosmological data set strong restrictions on the allowed masses and initial oscillation amplitudes of these particles Y1 - 2004 SN - 0218-2718 ER - TY - JOUR A1 - Zhou, Changsong A1 - Kurths, Jürgen T1 - Resonant patterns in noisy active media N2 - We investigate noise-controlled resonant response of active media to weak periodic forcing, both in excitable and oscillatory regimes. In the excitable regime, we find that noise-induced irregular wave structures can be reorganized into frequency-locked resonant patterns by weak signals with suitable frequencies. The resonance occurs due to a matching condition between the signal frequency and the noise-induced inherent time scale of the media. m:1 resonant regions similar to the Arnold tongues in frequency locking of self-sustained oscillatory media are observed. In the self-sustained oscillatory regime, noise also controls the oscillation frequency and reshapes significantly the Arnold tongues. The combination of noise and weak signal thus could provide an efficient tool to manipulate active extended systems in experiments Y1 - 2004 SN - 1063-651X ER - TY - JOUR A1 - Zbilut, J. P. A1 - Mitchell, J. C. A1 - Giuliani, A. A1 - Colosimo, A. A1 - Marwan, Norbert A1 - Webber, C. L. T1 - Singular hydrophobicity patterns and net charge : a mesoscopic principle for protein aggregation/folding N2 - A statistical model describing the propensity for protein aggregation is presented. Only amino-acid hydrophobicity values and calculated net charge are used for the model. The combined effects of hydrophobic patterns as computed by the signal analysis technique, recurrence quantification, plus calculated net charge were included in a function emphasizing the effect of singular hydrophobic patches which were found to be statistically significant for predicting aggregation propensity as quantified by fluorescence studies obtained from the literature. These results suggest preliminary evidence for a mesoscopic principle for protein folding/aggregation. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0378-4371 ER - TY - JOUR A1 - Yoon, S.-C. A1 - Langer, Norbert A1 - Scheithauer, S. T1 - Effects of rotation on the helium burning shell source in accreting white dwarfs N2 - We investigate the effects of rotation on the behavior of the helium-burning shell source in accreting carbon- oxygen white dwarfs, in the context of the single degenerate Chandrasekhar mass progenitor scenario for type la supernovae (SNe Ia). We model the evolution of helium-accreting white dwarfs of initially 1 M-circle dot, assuming four different constant accretion rates (2, 3, 5 and 10 x 10(-7) M-circle dot/yr). In a one-dimensional approximation, we compute the mass accretion and subsequent nuclear fusion of helium into carbon and oxygen, as well as angular momentum accretion, angular momentum transport inside the white dwarf, and rotationally induced chemical mixing. Our models show two major effects of rotation: a) The helium-burning nuclear shell source in the rotating models is much more stable than in corresponding non-rotating models - which increases the likelihood that accreting white dwarfs reach the stage of central carbon ignition. This effect is mainly due to rotationally induced mixing at the CO/He interface which widens the shell source, and due to the centrifugal force lowering the density and degeneracy at the shell source location. b) The C/O-ratio in the layers which experience helium shell burning - which may affect the energy of an SN Ia explosion - is strongly decreased by the rotationally induced mixing of a-particles into the carbon-rich layers. We discuss implications of our results for the evolution of SNe la progenitors Y1 - 2004 SN - 0004-6361 ER - TY - JOUR A1 - Yin, H. C. A1 - Witt, Ingo T1 - Global singularity structure of weak solutions to 3-D semilinear dispersive wave equations with discontinuous initial data N2 - We study the global singularity structure of solutions to 3-D semilinear wave equations with discontinuous initial data. More precisely, using Strichartz' inequality we show that the solutions stay conormal after nonlinear interaction if the Cauchy data are conormal along a circle. (C) 2003 Elsevier Inc. All rights reserved Y1 - 2004 SN - 0022-0396 ER - TY - JOUR A1 - Yenesew, Abiy A1 - Induli, M. A1 - Derese, Solomon A1 - Midiwo, Jacob O. A1 - Heydenreich, Matthias A1 - Peter, Martin G. A1 - Akala, Hoseah M. A1 - Wangui, Julia A1 - Liyala, Pamela A1 - Waters, Norman C. T1 - Anti-plasmodial flavonoids from the stem bark of Erythrina abyssinica N2 - The ethyl acetate extract of the stem bark of Erythrina abyssinica showed anti-plasmodial activity against the chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum with IC50 values of 7.9 +/- 1.1 and 5.3 +/- 0.7 mug/ml, respectively. From this extract, a new chalcone, 2,3,4,4'-tetrahydroxy-5- prenylchalcone (trivial name 5-prenylbutein) and a new flavanone, 4',7-dihydroxy-3'-methoxy-5'- prenylflavanone (trivial name, 5-deoxyabyssinin II) along with known flavonoids have been isolated as the anti- plasmodial principles. The structures were determined on the basis of spectroscopic evidence. (C) 2004 Elsevier Ltd. All rights reserved Y1 - 2004 SN - 0031-9422 ER - TY - JOUR A1 - Yang, X. H. A1 - Neher, Dieter T1 - Polymer electrophosphorescence devices with high power conversion efficiencies N2 - We demonstrate efficient single-layer polymer phosphorescent light-emitting devices based on a green-emitting iridium complex and a polymer host co-doped with electron-transporting and hole-transporting molecules. These devices can be operated at relatively low voltages, resulting in a power conversion efficiency of up to 24 lm/W at luminous efficiencies exceeding 30 cd/A. The overall performances of these devices suggest that efficient electrophosphorescent devices with acceptable operating voltages can be achieved in very simple device structures fabricated by spin coating. (C) 2004 American Institute of Physics Y1 - 2004 SN - 0003-6951 ER - TY - JOUR A1 - Wucknitz, Olaf A1 - Sperhake, U. T1 - Deflection of light and particles by moving gravitational lenses N2 - Various authors have investigated the problem of light deflection by radially moving gravitational lenses, but the results presented so far do not appear to agree on the expected deflection angles. Some publications claim a scaling of deflection angles with 1-v to first order in the radial lens velocity v, while others obtained a scaling with 1-2 v. In this paper we generalize the calculations for arbitrary lens velocities and show that the first result is the correct one. We discuss the seeming inconsistency of relativistic light deflection with the classical picture of moving test particles by generalizing the lens effect to test particles of arbitrary velocity, including light as a limiting case. We show that the effect of radial motion of the lens is very different for slowly moving test particles and light and that a critical test particle velocity exists for which the motion of the lens has no effect on the deflection angle to first order. An interesting and not immediately intuitive result is obtained in the limit of a highly relativistic motion of the lens towards the observer, where the deflection angle of light reduces to zero. This phenomenon is elucidated in terms of moving refractive media. Furthermore, we discuss the dragging of inertial frames in the field of a moving lens and the corresponding Lense-Thirring precession. in order to shed more light on the geometrical effects in the surroundings of a moving mass. In a second part we discuss the effect of transversal motion on the observed redshift of lensed sources. We demonstrate how a simple kinematic calculation explains the effects for arbitrary velocities of the lens and test particles. Additionally we include the transversal motion of the source and observer to show that all three velocities can be combined into an effective relative transversal velocity similar to the approach used in microlensing studies Y1 - 2004 SN - 0556-2821 ER - TY - JOUR A1 - Wucknitz, Olaf A1 - Biggs, Andy D. A1 - Browne, Ian W. A. T1 - Models for the lens and source of B0218+357 : a LensClean approach to determine H-0 N2 - B0218 + 357 is one of the most promising systems to determine the Hubble constant from time-delays in gravitational lenses. Consisting of two bright images, which are well resolved in very long baseline interferometry (VLBI) observations, plus one of the most richly structured Einstein rings, it potentially provides better constraints for the mass model than most other systems. The main problem left until now was the very poorly determined position of the lensing galaxy. After presenting detailed results from classical lens modelling, we apply our improved version of the LENSCLEAN algorithm which for the first time utilizes the beautiful Einstein ring for lens modelling purposes. The primary result using isothermal lens models is a now very well defined lens position of (255 +/- 6, 119 +/- 4) mas relative to the A image, which allows the first reliable measurement of the Hubble constant from the time-delay of this system. The result of H-0 = (78 +/- 6) km s(-1) Mpc(-1) (2sigma) is very high compared with other lenses. It is, however, compatible with local estimates from the Hubble Space Telescope (HST) key project and with WMAP results, but less prone to systematic errors. We furthermore discuss possible changes of these results for different radial mass profiles and find that the final values cannot be very different from the isothermal expectations. The power-law exponent of the potential is constrained by VLBI data of the compact images and the inner jet to be beta = 1.04 +/- 0.02, which confirms that the mass distribution is approximately isothermal (corresponding to beta = 1), but slightly shallower. The effect on H-0 is reduced from the expected 4 per cent decrease by an estimated shift of the best galaxy position of circa 4 mas to at most 2 per cent. Maps of the unlensed source plane produced from the best LENSCLEAN brightness model show a typical jet structure and allow us to identify the parts which are distorted by the lens to produce the radio ring. We also present a composite map which for the first time shows the rich structure of B0218 + 357 on scales ranging from mas to arcsec, both in the image plane and in the reconstructed source plane. Finally, we use a comparison of observations at different frequencies to investigate the question of possible weakening of one of the images by propagation effects and/or source shifts with frequency. The data clearly favour the model of significant 'extinction' without noticeable source position shifts. The technical details of our variant of the LENSCLEAN method are presented in the accompanying Paper I. Y1 - 2004 SN - 0035-8711 ER - TY - JOUR A1 - Raila, Jens A1 - Wirth, Kerstin A1 - Chen, Frank A1 - Büscer, Ulrich A1 - Dudenhausen, Joachim W. A1 - Schweigert, Florian J. T1 - Excretion of vitamin A in urine of women during Normal pregnancy and pregnancy complications N2 - Background/Aims: The renal function, including the excretion of low-molecular-weight proteins, changes during pregnancy and may cause a urinary excretion of retinol-binding protein (RBP). Whether it is accompanied by a substantial loss of vitamin A ( retinol) has not been established yet. We therefore determined the excretion of retinol and RBP in urine of pregnant women. Methods: The study involved analyses of urine samples from 40 healthy pregnant women and 29 women with pregnancy complications during the third trimester. Analyses of plasma and urine of 7 healthy women and 5 women with pregnancy complications were also carried out 6 weeks antepartum, at time of delivery and 1 week postpartum. Results: Urinary retinol was higher in women who suffered from pregnancy disorders with an influence on maternal metabolism ( p < 0.01). RBP was excreted at substantial concentrations in the urine of all 69 women, but there were no differences between the groups. Women with a concomitant excretion of retinol had higher levels of urinary RBP than those without a retinol excretion ( p < 0.05). Differences in plasma retinol and RBP were not significant. Conclusion: The excretion of urinary retinol may increase significantly during pregnancy complications, which needs further clarification to which extent this condition may negatively affect the vitamin A status in such women. Copyright (C) 2004 S. Karger AG, Basel Y1 - 2004 SN - 0250-6807 ER - TY - JOUR A1 - Wucknitz, Olaf T1 - LensClean revisited N2 - We discuss the LENSCLEAN algorithm which for a given gravitational lens model fits a source brightness distribution to interferometric radio data in a similar way as standard CLEAN does in the unlensed case. The lens model parameters can then be varied in order to minimize the residuals and determine the best model for the lens mass distribution. Our variant of this method is improved in order to be useful and stable even for high dynamic range systems with nearly degenerated lens model parameters. Our test case B0218 + 357 is dominated by two bright images but the information needed to constrain the unknown parameters is provided only by the relatively smooth and weak Einstein ring. The new variant of LENSCLEAN is able to fit lens models even in this difficult case. In order to allow the use of general mass models with LENSCLEAN, we develop the new method LENTIL which inverts the lens equation much more reliably than any other method. This high reliability is essential for the use as part of LENSCLEAN. Finally a new method is developed to produce source plane maps of the unlensed source from the best LENSCLEAN brightness models. This method is based on the new concept of 'dirty beams' in the source plane. The application to the lens B0218 + 357 leads to the first useful constraints for the lens position and thus to a result for the Hubble constant. These results are presented in the accompanying Paper II, together with a discussion of classical lens modelling for this system Y1 - 2004 SN - 0035-8711 ER - TY - JOUR A1 - Wilmking, M. A1 - Ibendorf, J. T1 - An early tree-line experiment by a wilderness advocate : Bob Marshall's legacy in the Brooks Range, Alaska Y1 - 2004 SN - 0004-0843 ER - TY - JOUR A1 - Wiegand, K. A1 - Jeltsch, Florian A1 - Ward, D. T1 - Minimum recruitment frequency in plants with episodic recruitment N2 - There is concern about the lack of recruitment of Acacia trees in the Negev desert of Israel. We have developed three models to estimate the frequency of recruitment necessary for long-term population survival (i.e. positive average population growth for 1,000 years and <10% probability of extinction). Two models assume purely episodic recruitment based on the general notion that recruitment in and environments is highly episodic. They differ in that the deterministic model investigates average dynamics while the stochastic model does not. Studies indicating that recruitment episodes in and environments have been overemphasized motivated the development of the third model. This semi-stochastic model simulates a mixture of continuous and episodic recruitment. Model analysis was done analytically for the deterministic model and via running model simulations for the stochastic and semi-stochastic models. The deterministic and stochastic models predict that, on average, 2.2 and 3.7 recruitment events per century, respectively, are necessary to sustain the population. According to the semi-stochastic model, 1.6 large recruitment events per century and an annual probability of 50% that a small recruitment event occurs are needed. A consequence of purely episodic recruitment is that all recruitment episodes produce extremely large numbers of recruits (i.e. at odds with field observations), an evaluation that holds even when considering that rare events must be large. Thus, the semi- stochastic model appears to be the most realistic model. Comparing the prediction of the semi-stochastic model to field observations in the Negev desert shows that the absence of observations of extremely large recruitment events is no reason for concern. However, the almost complete absence of small recruitment events is a serious reason for concern. The lack of recruitment may be due to decreased densities of large mammalian herbivores and might be further exacerbated by possible changes in climate, both in terms of average precipitation and the temporal distribution of rain Y1 - 2004 ER - TY - JOUR A1 - Wegrich, Kai T1 - Implementing public policy : Governance in theory and practice Y1 - 2004 SN - 0140-2382 ER - TY - JOUR A1 - Wegener, Michael A1 - Wirges, Werner A1 - Fohlmeister, Jens Bernd A1 - Tiersch, Brigitte A1 - Gerhard, Reimund T1 - Two-step inflation of cellular polypropylene films: Void-thickness increase and enhanced electromechanical properties N2 - In cellular, electromechanically active polymer films, the so-called ferroelectrets, the cell size and shape distributions can be varied through a controlled inflation process. Up to now, high-pressure treatments were usually performed at elevated temperatures. There are, however, significant experimental limitations and complications if the pressure and temperature treatments are performed at the same time. Here, we demonstrate the controlled inflation of cellular polypropylene films by means of sepal-ate pressure and temperature treatments. Separate procedures are Much easier to implement. Excellent electromechanical properties were achieved with Such a two-step inflation process. The technique has significant potential for inflating large-area transducer films for electromechanical and electroacoustical applications Y1 - 2004 ER - TY - JOUR A1 - Wegener, Michael A1 - Künstler, Wolfgang A1 - Gerhard, Reimund T1 - Piezo-, pyro- and ferroelectricity in poly (vinylidene fluoride-hexafluoropropylene) copolymer films N2 - Thin films of poly(vinylidene fluoride-hexafluoropropylene) P(VDF-HFP) show significant electroactive properties, such as piezoelectricity, pyroelectricity and electrostriction. Suitable polar P(VDF-HFP) copolymer films can be prepared by melt-pressing or solution-casting. Dipolar orientation causes the macroscopic polarization and thus also the symmetry breaking necessary for electroactive properties. We discuss the polarization build-up in thin, stretched and non-stretched, films of P(VDF-HFP) copolymer with a HFP content of 15%. Poling currents measured in-situ during electric poling are analyzed and the polarization is calculated. Suitable electric poling leads to hysteresis phenomena of the polarization as a function of the electric field as well as to significant polarization during switching experiments. Our results indicate dipolar orientation also in non-stretched P(VDF-HFP) films Y1 - 2004 ER - TY - JOUR A1 - Weber, Andreas P. M. A1 - Oesterhelt, Christine A1 - Gross, Wolfgang A1 - Bräutigam, Andrea A1 - Imboden, Lori A1 - Krassovskaya, Inga A1 - Linka, Nicole A1 - Truchina, Julia A1 - Schneidereit, Jörg A1 - Voll, Lars A1 - Zimmermann, Marc A1 - Jamai, Aziz A1 - Riekhof, Wayne A1 - Yu, Bin A1 - Garavito, Michael R. A1 - Benning, Christoph T1 - EST-analysis of the thermo-acidophilic red microalga Galdieria sulphuraria reveals potential for lipid A biosynthesis and unveils the pathway of carbon export from rhodoplasts N2 - When we think of extremophiles, organisms adapted to extreme environments, prokaryotes come to mind first. However, the unicellular red micro-alga Galdieria sulphuraria (Cyanidiales) is a eukaryote that can represent up to 90% of the biomass in extreme habitats such as hot sulfur springs with pH values of 0-4 and temperatures of up to 56 degreesC. This red alga thrives autotrophically as well as heterotrophically on more than 50 different carbon sources, including a number of rare sugars and sugar alcohols. This biochemical versatility suggests a large repertoire of metabolic enzymes, rivaled by few organisms and a potentially rich source of thermo-stable enzymes for biotechnology. The temperatures under which this organism carries out photosynthesis are at the high end of the range for this process, making G. sulphuraria a valuable model for physical studies on the photosynthetic apparatus. In addition, the gene sequences of this living fossil reveal much about the evolution of modern eukaryotes. Finally, the alga tolerates high concentrations of toxic metal ions such as cadmium, mercury, aluminum, and nickel, suggesting potential application in bioremediation. To begin to explore the unique biology of G. sulphuraria, 5270 expressed sequence tags from two different cDNA libraries have been sequenced and annotated. Particular emphasis has been placed on the reconstruction of metabolic pathways present in this organism. For example, we provide evidence for (i) a complete pathway for lipid A biosynthesis; (ii) export of triose-phosphates from rhodoplasts; (iii) and absence of eukaryotic hexokinases. Sequence data and additional information are available at http://genomics.msu.edu/galdieria Y1 - 2004 ER - TY - JOUR A1 - Warschburger, Petra A1 - Busch, S. A1 - Bauer, C. P. A1 - Kiosz, D. A1 - Stachow, R. A1 - Petermann, Franz T1 - Health-related quality of life in children and adolescents with asthma : results from the ESTAR study N2 - Our aim was to assess the psychosocial well-being of asthmatic children and adolescents, the influencing factors, and to determine the effect of inpatient rehabilitation on their quality of life; 226 asthmatic children and adolescents participated in the inpatient rehabilitation (IG). The comparison group (CG) included 92 asthmatic children and adolescents receiving standard medical treatments. Patients were aged between 8 and 16 years and were predominantly male. The health-related quality of life was measured with the German version of the "Paediatric Asthma Quality of Life Questionnaire." Interviews were carried out for IG 2 weeks before the commencement of their inpatient stay and 1 year after their stay ended. The same time schedule was carried out for CG. All patients reported a mild to moderate impairment of their quality of life. Girls described a slightly lower quality of life than boys. With increasing asthma severity, quality of life decreased. Inpatients described a lower quality of life than CG at enrollment. Inpatient rehabilitation resulted in a greater improvement of quality of life over time for IG than for CG. Gender and severity status had no effect on this time course. The only modestly affected quality of life may reflect the good adaptation to the disease and medical treatment. Children and adolescents in the IG recorded improvements in their quality of life. Differences in quality of life based on gender and disease severity were not shown to influence the improvements. In summary, inpatient rehabilitation results in an improvement of health-related quality of life. Further research concerning the psychosocial situation of children and adolescents in this setting is needed Y1 - 2004 ER - TY - JOUR A1 - Voss, Henning U. A1 - Timmer, Jens A1 - Kurths, Jürgen T1 - Nonlinear dynamical system identification from uncertain and indirect measurements N2 - We review the problem of estimating parameters and unobserved trajectory components from noisy time series measurements of continuous nonlinear dynamical systems. It is first shown that in parameter estimation techniques that do not take the measurement errors explicitly into account, like regression approaches, noisy measurements can produce inaccurate parameter estimates. Another problem is that for chaotic systems the cost functions that have to be minimized to estimate states and parameters are so complex that common optimization routines may fail. We show that the inclusion of information about the time-continuous nature of the underlying trajectories can improve parameter estimation considerably. Two approaches, which take into account both the errors-in-variables problem and the problem of complex cost functions, are described in detail: shooting approaches and recursive estimation techniques. Both are demonstrated on numerical examples Y1 - 2004 SN - 0218-1274 ER - TY - JOUR A1 - Wisotzki, Lutz A1 - Schechter, P. L. A1 - Chen, H. W. A1 - Richstone, D. A1 - Jahnke, Knud A1 - Sanchez, Sebastian F. A1 - Reimers, Dieter T1 - HE 0047-1756 : a new gravitationally lensed double QSO N2 - The quasar HE 0047-1756, at z = 1.67, is found to be split into two images 1."144 apart by an intervening galaxy acting as a gravitational lens. The flux ratio for the two components is roughly 3.5:1, depending slightly upon wavelength. The lensing galaxy is seen on images obtained in the i (800 nm) and K-s bands (2.1 mum); there is also a nearby faint object which may be responsible for some shear. The spectra of the two quasar images are nearly identical, but the emission line ratio between the two components scale differently from the continuum. Moreover, the fainter component has a bluer continuum slope than the brighter one. We argue that these small differences are probably due to microlensing. There is evidence for a partial Einstein ring emanating from the brighter image toward the fainter one Y1 - 2004 SN - 0004-6361 ER - TY - JOUR A1 - von Seggern, David A1 - Modrakowski, Claudia A1 - Spitz, Christian A1 - Schlüter, A. D. A1 - Menzel, Ralf T1 - Charge transfer initiated by optical excitation in diester substituted biphenylpyrene as a function of the solvent characterized by excited state absorption spectroscopy N2 - Cross-sections for ground and excited state absorptions of the charge transfer system 3-(3-tert- butoxycarbonylamino-propyl)-4'-pyren-1-yl-biphenyl-2,5-dicarbo xylicacid dimethyl ester (Py-C) are determined from nonlinear absorption and fluorescence measurements as a function of solvent. While in non-polar solvents no stable charge transfer (CT) state occurs after optical excitation, in polar solvents the CT state is stabilized. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 ER - TY - JOUR A1 - Völkening, Helga T1 - Paths to science and wisdom : a hidden philosophy according to Hildegard of Bingen Y1 - 2004 ER - TY - JOUR A1 - Venkatraman, S. A1 - Kumar, R. A1 - Sankar, J. A1 - Chandrashekar, T. K. A1 - Sendhil, K. A1 - Vijayan, C. A1 - Kelling, Alexandra A1 - Senge, Mathias O. T1 - Oxasmaragdyrin-ferrocene and oxacorrole-ferrocene conjugates : Synthesis, structure, and nonlinear optical properties N2 - Ferrocenyl macrocyclic conjugates involving 22pi oxasmaragdyrins and 18pi oxacorroles have been synthesized and characterized. The direct covalent linkage of the ferrocenyl moiety to the meso position of the macrocycle is achieved by simple oxidative coupling of appropriate precursors with trifluoroacetic acid as catalyst. The electronic coupling between the ferrocenyl moiety and the macrocyclic pi system is apparent from: a) the red shifts (293-718 cm(-1)) of the Soret and Q-bands in the electronic absorption spectra of ferrocenyl conjugates; b) the shift of oxidation potentials (50 130 mV) of both the ferrocene and the corrole rings to the positive potentials; and c) considerable shortening of the C-C bond which connects the ferrocene and the meso-carbon atom of the macrocycle. The single-crystal X-ray structure of oxasmaragdyrin-ferrocene conjugate 9 reveals the planarity of the 22pi skeleton with very small deviations of the meso-carbon atoms. The meso-ferrocenyl substituent has a small dihedral angle of 38degrees, making way for mixing of the molecular orbitals of the ferrocene and the macrocycle. However, the other two meso substituents are almost perpendicular to the mean plane, defined by the three meso carbon atoms. Classical C-(HO)-O-... and nonclassical C- H(...)pi interactions lead to a two-dimensional supramolecular network. Ferrocene-smaragdyrin conjugate 9 bonds to a chloride ion in the protonated form and a rhodium(i) ion in the free base form. Nonlinear optical measurements reveal a larger nonlinear refractive index (-5.83 x 10(-8) cm(2) W-1) and figure of merit (2.28 x 10(-8) cm(3)W(-1)) for the rhodium smaragdyrin-ferrocene conjugate 19 than for the others, suggesting its possible application in optical devices Y1 - 2004 SN - 0947-6539 ER - TY - JOUR A1 - van Kleunen, Mark A1 - Ritland, K. T1 - Predicting evolution of floral traits associated with mating system in a natural plant population N2 - Evolution of floral traits requires that they are heritable, that they affect fitness, and that they are not constrained by genetic correlations. These prerequisites have only rarely been examined in natural populations. For Mimulus guttatus, we found by using the Riska-method that corolla width, anther length, ovary length and number of red dots on the corolla were heritable in a natural population. Seed production (maternal fitness) was directly positively affected by corolla width and anther size, and indirectly so by ovary length and number of red dots on the corolla. The siring success (paternal fitness), as estimated from allozyme data, was directly negatively affected by anther-stigma separation, and indirectly so by the corolla length-width ratio. Genetic correlations, estimated with the Lynch-method, were positive between floral size measures. We predict that larger flowers with larger reproductive organs, which generally favour outcrossing, will evolve in this natural population of M. guttatus Y1 - 2004 SN - 1010- 061x ER - TY - JOUR A1 - Viana, Ricardo L. A1 - Barbosa, José R. R. A1 - Grebogi, Celso T1 - Unstable dimension variability and codimension-one bifurcations of two-dimensional maps N2 - Unstable dimension variability is a mechanism whereby an invariant set of a dynamical system, like a chaotic attractor or a strange saddle, loses hyperbolicity in a severe way, with serious consequences on the shadowability properties of numerically generated trajectories. In dynamical systems possessing a variable parameter, this phenomenon can be triggered by the bifurcation of an unstable periodic orbit. This Letter aims at discussing the possible types of codimension-one bifurcations leading to unstable dimension variability in a two-dimensional map, presenting illustrative examples and displaying numerical evidences of this fact by computing finite-time Lyapunov exponents. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0375-9601 ER - TY - JOUR A1 - Warschburger, Petra A1 - Buchholz, H. T. A1 - von Schwerin, A.-D. A1 - Petermann, Franz T1 - Psychological adjustment in parents of young children with atopic dermatitis : which factors predict parental quality of life? N2 - Background Bringing up children with atopic dermatitis (AD) is widely perceived as being stressful because parenting demands considerable time and energy. There have been only a few studies to assess the extent of problems experienced by the parents. Objective To assess the psychosocial well-being of parents caring for a young child with AD and to examine the relationship between parental quality of life and disease-related and sociodemographic variables. Methods One hundred and eighty-seven parents of young children with AD attending an inpatient rehabilitation clinic participated in the study. At admission, parents completed a set of questionnaires (assessing health-related quality of life, coping with the disease, family functioning). Dermatologists assessed disease severity using the severity scoring of AD index (SCORAD). Results In general, parents cope well with their situation. Compared with normal values, high rates of psychological distress were observed in a subsample of parents of children with AD. Parents of children with a higher severity of disease reported a significantly higher impact on family functioning, a greater financial burden and a higher level of disease management. Parental disease management could be predicted by the familial situation, their personal well-being and the severity of disease of their child. Differences attributed to their child's gender or age were not observed. Conclusions Childhood AD has a profound impact on the emotional and social well-being of many of the parents. The results underline the importance of psychological treatment approaches designed to increase parental well-being and ability to cope with stress and social strain Y1 - 2004 ER - TY - JOUR A1 - Vaaje-Kolstad, G. A1 - Vasella, A. A1 - Peter, Martin G. A1 - Netter, C. A1 - Houston, Douglas R. A1 - Westereng, B. A1 - Synstad, Bjoenar A1 - Eijsink, Vincent G. H. A1 - van Aalten, Daan M. F. T1 - Interactions of a family 18 chitinase with the designed inhibitor HM508 and its degradation product, chitobiono- delta-lactone N2 - We describe enzymological and structural analyses of the interaction between the family 18 chitinase ChiB from Serratia marcescens and the designed inhibitor N,N'-diacetylchitobionoxime-N-phenylcarbamate (HM508). HM508 acts as a competitive inhibitor of this enzyme with a K-i in the 50 muM range. Active site mutants of ChiB show K-i values ranging from 1 to 200 muM, providing insight into some of the interactions that determine inhibitor affinity. Interestingly, the wild type enzyme slowly degrades HM508, but the inhibitor is essentially stable in the presence of the moderately active D142N mutant of ChiB. The crystal structure of the D142N-HM508 complex revealed that the two sugar moieties bind to the -2 and -1 subsites, whereas the phenyl group interacts with aromatic side chains that line the +1 and +2 subsites. Enzymatic degradation of HM508, as well as a Trp-->Ala mutation in the +2 subsite of ChiB, led to reduced affinity for the inhibitor, showing that interactions between the phenyl group and the enzyme contribute to binding. Interestingly, a complex of enzymatically degraded HM508 with the wild type enzyme showed a chitobiono-delta- lactone bound in the -2 and -1 subsites, despite the fact that the equilibrium between the lactone and the hydroxy acid forms in solution lies far toward the latter. This shows that the active site preferentially binds the E-4 conformation of the -1 sugar, which resembles the proposed transition state of the reaction Y1 - 2004 SN - 0021-9258 ER - TY - JOUR A1 - Usadel, Björn A1 - Kuschinsky, Anja M. A1 - Rosso, Mario G. A1 - Eckermann, Nora A1 - Pauly, Markus T1 - RHM2 is involved in mucilage pectin synthesis and is required for the development of the seed coat in Arabidopsis N2 - Pectins are major components of primary plant cell walls and the seed mucilage of Arabidopsis. Despite progress in the structural elucidation of pectins, only very few enzymes participating in or regulating their synthesis have been identified. A first candidate gene involved-in the synthesis of pectinaceous rhamnogalacturonan I is RHM2, a putative plant ortholog to NDP-rhamnose biosynthetic enzymes in bacteria. Expression studies with a promoter beta-glucuronidase construct and reverse transcription PCR data show that RHM2 is expressed ubiquitously. Rhm2 T-DNA insertion mutant lines were identified using a reverse genetics approach. Analysis of the rhm2 seeds by various staining methods and chemical analysis of the mucilage revealed a strong reduction of rhamnogalacturonan I in the mucilage and a decrease of its molecular weight. In addition, scanning electron microscopy of the seed surface indicated a distorted testa morphology, illustrating not only a structural but also a developmental role for RGI or rhamnose metabolism in proper testa formation Y1 - 2004 ER - TY - JOUR A1 - Uhlendorff, Harald T1 - After the wall: Parental attitudes to child rearing in East and West Germany N2 - In the years following German reunification, East and West German parents (282 mothers and 207 fathers) were interviewed about attitudes to the rearing of their 7- to 13-year-old children and about their social networks. Path analyses show that East German parents engage in more protective and less permissive parenting, and that East German fathers raise their children in a more traditional and authoritarian manner than their West German counterparts. In part, these differences can be attributed to the strong family orientation of East German parents (many and intensive kinship relations, few friends). Further analyses show that corollaries of the social upheavals in East Germany, namely closer cohesion of the immediate family and a decrease in the social support provided by the extrafamilial environment, are associated with protective attitudes to parenting and hence with the tendency to limit children's freedom of decision-making Y1 - 2004 ER - TY - JOUR A1 - Wisotzki, Lutz A1 - Becker, Thomas A1 - Christensen, Lise Bech A1 - Jahnke, Knud A1 - Helms, Andreas A1 - Kelz, A. A1 - Roth, Martin M. A1 - Sanchez, Sebastian F. T1 - Integral field spectrophotometry of gravitationally lensed QSOs with PMAS N2 - We present spatially resolved spectrophotometric observations of multiply imaged QSOs, using the Potsdam Multi- Aperture Spectrophotometer (PMAS), with the intention to search for spectral differences between components indicative of either microlensing or dust extinction. For the quadruple QSO HE 0435-1223 we find that the continuum shapes are indistinguishable, therefore differential extinction is negligible. The equivalent widths of the broad emission lines are however significantly different, and we argue that this is most likely due to microlensing. Contrariwise, the two components of the well-known object UM 673 have virtually identical emission line properties, but the continuum slopes differ significantly and indicate different dust extinction along both lines of sight Y1 - 2004 SN - 0004-6337 ER - TY - JOUR A1 - Tuncer, Enis A1 - Wegener, Michael T1 - Elastic properties of highly anisotropic thin poly(propylene) foams N2 - In this letter, elastic properties of highly anisotropic cellular poly(propylene) films are reported. The material shows peculiar elastic properties compared to other foams in the literature. The data is displayed as the relative Young's modulus E*/E-s versus relative density rho*/rho(s). Almost all the data from the literature are located on the region E*/E-s = (rho*/rho(s))(n) with 1 less than or equal to n less than or equal to 6. The introduced material on the other hand has lower relative Young's modulus at high relative densities, n greater than or equal to 6. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0167-577X ER - TY - JOUR A1 - Tuncer, Enis A1 - Furlani, M. A1 - Mellander, B. E. T1 - Resolving distribution of relaxation times in poly(propylene glycol) on the crossover region N2 - In this article, a recently developed numerical technique [E. Tuncer and S. M. Gubanski, IEEE Trans. Dielectr. Electr. Insul. 8, 310 (2001)] is applied to poly(propylene glycol) (PPG) complex dielectric data to extract more information about the molecular relaxation processes. The method is based on a constrained-least-squares (C-LSQ) data fitting procedure together with the Monte Carlo method. We preselect the number of relaxation times with no a priori physical assumption, and use the Debye single relaxation as "kernel," then the obtained weighting factors at each MC step from the C-LSQ method builds up a relaxation time spectrum. When the analysis is repeated for data at different temperatures a relaxation image is created. The obtained relaxation are analyzed using the Lorentz (Cauchy) distribution, which is a special form of the Levy statistics. In the present report the beta and alpha relaxations are resolved for the PPG. A comparison of the relaxations to those earlier reported in the literature indicate that the presented method provides additional information compared to methods based on empirical formulas. The distribution of relaxation times analysis is especially useful to probe the crossover region where the alpha and beta relaxations merge and the results show that the relaxation after the crossover region at higher temperatures is Arrhenius-type as the beta relaxation. Moreover, this relaxation is more likely to be the continuation of the beta relaxation, but with a different activation energy. (C) 2004 American Institute of Physics Y1 - 2004 SN - 0021-8979 ER - TY - JOUR A1 - Tuncer, Enis T1 - Signs of low frequency dispersions in disordered binary dielectric mixtures (fifty-fifty) N2 - Dielectric relaxation in disordered dielectric mixtures is presented by emphasizing the interfacial polarization. The obtained results coincide with and cause confusion with those of the low frequency dispersion behaviour. The considered systems are composed of two phases on two-dimensional square and triangular topological networks. We use the finite element method to calculate the effective dielectric permittivities of randomly generated structures. The dielectric relaxation phenomena together with the dielectric permittivity values at constant frequencies are investigated, and significant differences of the square and triangular topologies are observed. The frequency dependent properties of some of the generated structures are examined. We conclude that the topological disorder may lead to the normal or anomalous low frequency dispersion if the electrical properties of the phases are chosen properly, such that for 'slightly' reciprocal mixture-when sigma(1) >> sigma(2), and epsilon(1) < epsilon(2)-normal, and while for 'extreme' reciprocal mixture-when sigma(1) >> sigma(2), and epsilon(1) << epsilon(2)-anomalous low frequency dispersions are obtained. Finally, comparison with experimental data indicates that one can obtain valuable information from simulations when the material properties of the constituents are not available and of importance Y1 - 2004 SN - 0022-3727 ER - TY - JOUR A1 - Treyer, A. A1 - Wambsganss, Joachim T1 - Astrometric microlensing of quasars : dependence on surface mass density and external shear N2 - A small fraction of all quasars are strongly lensed and multiply imaged, with usually a galaxy acting as the main lens. Some, or maybe all of these quasars are also affected by microlensing, the effect of stellar mass objects in the lensing galaxy. Usually only the photometric aspects of microlensing are considered: the apparent magnitudes of the quasar images vary independently because the relative motion between source, lens and observer leads to uncorrelated magnification changes as a function of time. However, stellar microlensing on quasars has yet another effect, which was first explored by Lewis & lbata (1998): the position of the quasar - i.e. the center-of-light of the many microimages - can shift by tens of microarcseconds due to the relatively sudden (dis-)appearance of a pair of microimages when a caustic is being crossed. Here we explore quantitatively the astrometric effects of microlensing on quasars for different values of the lensing parameters kappa and gamma (surface mass density and external shear) covering most of the known multiple quasar systems. We show examples of microlens-induced quasar motion (i.e. astrometric changes) and the corresponding light curves for different quasar sizes. We evaluate statistically the occurrence of large "jumps" in angular position and their correlation with apparent brightness fluctuations. We also show statistical relations between positional offsets and time from random starting points. As the amplitude of the astrometric offset depends on the source size, astrometric microlensing signatures of quasars - combined with the photometric variations - will provide. very good constraints on the sizes of quasars as a function of wavelength. We predict that such signatures will be detectable for realistic microlensing scenarios with near future technology in the infrared/optical (Keck- Interferometry, VLTI, SIM, GAIA). Such detections will show that not even high redshift quasars define a "fixed" coordinate system Y1 - 2004 SN - 0004-6361 ER - TY - JOUR A1 - Titz, Sven Holger A1 - Kuhlbrodt, Till A1 - Feudel, Ulrike T1 - Grid geometry effects on convection in ocean climate models : a conceptual study N2 - Ocean convection is a highly non-linear and local process. Typically, a small-scale phenomenon of this kind entails numerical problems in the modelling of ocean circulation. One of the tasks to solve is the improvement of convection parameterization schemes, but the question of grid geometry also plays a considerable role. Here, this question is studied in the context of global ocean models coupled to an atmosphere model. Such ocean climate models have mostly structured, coarsely resolved grids. Using a simple conceptual two-layer model, we compare the discretization effects of a rectangular grid with those of a grid with hexagonal grid cells, focussing on average properties of the ocean. It turns out that systematic errors tend to be clearly smaller with the hexagonal grid. In a hysteresis experiment with the atmospheric boundary condition as a hysteresis parameter, the spatially averaged behaviour shows nonnegligible artificial steps for quadratic grid cells. This bias is reduced with the hexagonal grid. The same holds for the directional sensitivity (or horizontal anisotropy) which is found for different angles of the advection velocity. The grid with hexagonal grid cells shows much more isotropic results. From the limited viewpoint of these test experiments, it seems that the hexagonal grid (i.e. icosahedral-hexagonal grids on the sphere) is recommendable for ocean climate models. (C) 2003 Elsevier Ltd. All rights reserved Y1 - 2004 SN - 1463-5003 ER - TY - JOUR A1 - Tiseanu, Carmen A1 - Frunza, L. A1 - Kumke, Michael Uwe T1 - Time-resolved photoluminescence analysis of distribution and migration of terbium ions in zeolites X N2 - The photoluminescence (PL) dynamics of terbium-exchanged zeolites X was investigated upon laser excitation at 355 nm. The results evidenced the presence of at least two terbium main environments with PL lifetimes varying between 391-411 and 753-770 mus. The two-site nature of terbium distribution in zeolites X permitted a quantitative analysis of the migration process of terbium ions inside the pores and cavities upon dehydration in air at 200 degreesC. Besides the increase of the PL lifetimes with about 30% and 80% compared to those of the hydrated zeolite, a fraction of almost 30% of terbium ions was estimated to migrate from the supercages to the neighboring sodalites or hexagonal prisms. Our results evidenced for the first time the capability of time-resolved luminescence spectroscopy in quantitatively tracking for the intrazeolitic migration of lanthanides. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 ER - TY - JOUR A1 - Tischendorf, Gerhard A1 - Rieder, M. A1 - Förster, Hans-Jürgen A1 - Gottesmann, Bärbel A1 - Guidotti, C. V. T1 - A new graphical presentation and subdivision of potassium micas N2 - A system based on variation of the octahedrally coordinated cations is proposed for graphical presentation and subdivision of tri- and dioctahedral K micas, which makes use of elemental differences (in a.p.f.u.): (Mg - Li) [= mgli] and (Fe-tot + Mn + Ti - Al-VI) [= feal]. All common true tri- and dioctahedral K micas are shown in a single polygon outlined by seven main compositional points forming its vertices. Sequentially clockwise, starting from Mg-3 (phlogopite), these points are: Mg2.5Al0.5, Al(2.167)square(0.833), Al1.75Li1.25, Li2Al (polylithionite), Fe22+Li, and Fe-3(2+) (annite). Trilithionite (Li1.5Al1.5), Li1.5Fe2+Al0.5, Fe22+Mg, and Mg2Fe2+ are also located on the perimeter of the polygon. IMA-siderophyllite (Fe22+Al) and muscovite (Al(2)square) plot inside. The classification conforms with the IMA-approved mica nomenclature and differentiates among the following mica species according to their position in a diagram consisting of nigh and feal axes plotted orthogonally; trioctahedral: phlogopite, biotite, siderophyllite, annite, zinnwaldite, lepidolite and tainiolite: dioctahedral: muscovite, phengite and celadonite. Potassium micas with [Si] <2.5 a.p.f.u. including IMA-siderophyllite, KFe22+AlAl2Si2O10(OH)(2), and IMA-eastonite, KMg2AlAl2Si2O10(OH)(2) seem not to form in nature. The proposed subdivision has several advantages. All common true, trioctahedral and dioctahedral K micas, whether Li-bearing or Li-free, are shown within one diagram, which is easy to use and gives every mica composition an unambiguously defined name. Mica analyses with Fe2+, Fe3+, Fe2+ + Fe3+, or Fe-tot can be considered, which is particularly Valuable for microprobe analyses. It facilitates easy reconstruction of evolutionary pathways of mica compositions during crystallization, a feature having key importance in petrologically oriented research. Equally important, the subdivision has great potential for understanding many of the crystal-chemistry features of the K micas. In turn this may allow one to recognize and discriminate the extent to which crystal chemistry or bulk composition controls the occurrence of some seemingly possible or hypothetical K mica Y1 - 2004 SN - 0026-461X ER - TY - JOUR A1 - Thierbach, Rene A1 - Schulz, Tim Julius A1 - Voigt, Aanja A1 - Drewes, Gunnar A1 - Isken, F. A1 - Pfeiffer, Andreas F. H. A1 - Ristow, Michael A1 - Steinberg, Pablo T1 - Targeted disruption of frataxin in hepatocytes causes spontaneous neoplasia accompanied by increased ROS formation Y1 - 2004 SN - 0028-1298 ER - TY - JOUR A1 - Thiel, M. A1 - Romano, Maria Carmen A1 - Schwarz, Udo A1 - Kurths, Jürgen A1 - Timmer, Jens T1 - Surrogate-based hypothesis test without surrogates N2 - Fourier surrogate data are artificially generated time series, that - based on a resampling scheme - share the linear properties with an observed time series. In this paper we study a statistical surrogate hypothesis test to detect deviations from a linear Gaussian process with respect to asymmetry in time (Q-statistic). We apply this test to a Fourier representable function and obtain a representation of the asymmetry in time of the sample data, a characteristic for nonlinear processes, and the significance in terms of the Fourier coefficients. The main outcome is that we calculate the expected value of the mean and the standard deviation of the asymmetries of the surrogate data analytically and hence, no surrogates have to be generated. To illustrate the results we apply our method to the saw tooth function, the Lorenz system and to measured X-ray data of Cygnus X-1 Y1 - 2004 SN - 0218-1274 ER - TY - JOUR A1 - Thiel, M. A1 - Romano, Maria Carmen A1 - Read, P. L. A1 - Kurths, Jürgen T1 - Estimation of dynamical invariants without embedding by recurrence plots N2 - In this paper we show that two dynamical invariants, the second order Renyi entropy and the correlation dimension, can be estimated from recurrence plots (RPs) with arbitrary embedding dimension and delay. This fact is interesting as these quantities are even invariant if no embedding is used. This is an important advantage of RPs compared to other techniques of nonlinear data analysis. These estimates for the correlation dimension and entropy are robust and, moreover, can be obtained at a low numerical cost. We exemplify our results for the Rossler system, the funnel attractor and the Mackey-Glass system. In the last part of the paper we estimate dynamical invariants for data from some fluid dynamical experiments and confirm previous evidence for low dimensional chaos in this experimental system. (C) 2004 American Institute of Physics Y1 - 2004 SN - 1054-1500 ER - TY - JOUR A1 - Thiel, M. A1 - Romano, Maria Carmen A1 - Kurths, Jürgen T1 - How much information is contained in a recurrence plot? N2 - Recurrence plots have recently been recognized as a powerful tool for the analysis of data. Not only the visualization of structures of the time series but also the possibility to estimate invariants from them and the possibility to analyze non-stationary data sets are remarkable. However, the question of how much information is encoded in such a two-dimensional and binary representation has not been discussed so far. In this Letter we show that-under some conditions-it is possible to reconstruct an attractor from the recurrence plot, at least topologically. This means that all relevant dynamical information is contained in the plot. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0375-9601 ER - TY - JOUR A1 - Jeltsch, Florian A1 - Tews, Jörg A1 - Schurr, Frank Martin T1 - Seed dispersal by cattle may cause shrub encroachment of Grewia flava on southern Kalahari rangelands N2 - Shrub encroachment, i.e. the increase in woody plant cover, is a major concern for livestock farming in southern Kalahari savannas. We developed a grid-based computer model simulating the population dynamics of Grewia flava, a common, fleshy-fruited encroaching shrub. In the absence of large herbivores, seeds of Grewia are largely deposited in the sub-canopy of Acacia erioloba. Cattle negate this dispersal limitation by browsing on the foliage of Grewia and dispersing seeds into the grassland matrix. In this study we first show that model predictions of Grewia cover dynamics are realistic by comparing model output with shrub cover estimates obtained from a time series of aerial photographs. Subsequently, we apply a realistic range of intensity of cattle-induced seed dispersal combined with potential precipitation and fire scenarios. Based on the simulation results we suggest that cattle may facilitate shrub encroachment of Grewia. The results show that the severity of shrub encroachment is governed by the intensity of seed dispersal. For a high seed dispersal intensity without fire (equivalent to a high stocking rate) the model predicts 56% shrub cover and 85% cell cover after 100 yr. With fire both recruitment and shrub cover are reduced, which may, under moderate intensities, prevent shrub encroachment. Climate change scenarios with two-fold higher frequencies of drought and wet years intensified shrub encroachment rates, although long-term mean of precipitation remained constant. As a management recommendation we suggest that shrub encroachment on rangelands may be counteracted by frequent fires and controlling cattle movements to areas with a high proportion of fruiting Grewia shrubs Y1 - 2004 ER - TY - JOUR A1 - Vaaje-Kolstad, G. A1 - Houston, Douglas R. A1 - Rao, F. V. A1 - Peter, Martin G. A1 - Synstad, Bjoenar A1 - van Aalten, Daan M. F. A1 - Eijsink, Vincent G. H. T1 - Structure of the D142N mutant of the family 18 chitinase ChiB from Serratia marcescens and its complex with allosamidin N2 - Catalysis by ChiB, a family 18 chitinase from Serratia marcescens, involves a conformational change of Asp142 which is part of a characteristic D140XD142XE144 sequence motif In the free enzyme Asp142 points towards Asp140, whereas it rotates towards the catalytic acid, Glu144, upon ligand binding. Mutation of Asp142 to Asn reduced k(cat) and affinity for allosamidin, a competitive inhibitor. The X-ray structure of the D142N mutant showed that Asn142 points towards Glu144 in the absence of a ligand. The active site also showed other structural adjustments (Tyr10, Ser93) that had previously been observed in the wild-type enzyme upon substrate binding. The X-ray structure of a complex of D142N with allosamidin, a pseudotrisaccharide competitive inhibitor, was essentially identical to that of the wild-type enzyme in complex with the same compound. Thus, the reduced allosamidin affinity in the mutant is not caused by structural changes but solely by the loss of electrostatic interactions with Asp142. The importance of electrostatics was further confirmed by the pH dependence of catalysis and allosamidin inhibition. The pH-dependent apparent affinities for allosamidin were not correlated with k(cat), indicating that it is probably better to view the inhibitor as a mimic of the oxazolinium ion reaction intermediate than as a transition state analogue. (C) 2003 Elsevier B.V. All rights reserved Y1 - 2004 SN - 1570-9639 ER - TY - JOUR A1 - Jeltsch, Florian A1 - Tews, Jörg A1 - Moloney, Kirk A. T1 - Modelling seed dispersal in a variable environment : a case study of the fleshy-fruited savanna shrub Grewia flava N2 - In ecology much attention has been paid towards seed dispersal of fleshy-fruited plants, however, knowledge is lacking about the Iona-term demographic consequences of variation in dispersal distance and fruit removal rate, particularly given the natural variability of the environment the organism lives in. In this study we used a spatially explicit, two-level stochastic computer model to simulate population dynamics of a fleshy-fruited shrub living in the sub-canopy of solitary savanna trees. On the landscape level we implemented three realistic scenarios of savanna landscape dynamics for a period of 500 years with equal inter-annual mean of environmental variables. The first scenario is representative of a relatively constant environment with normal variability in precipitation, constant tree density and random tree recruitment pattern. The second and third scenarios represent positive auto-correlated, cyclic patterns with alternating phases of tree cover increase and decrease corresponding with favorable and unfavorable rain phases. Our simulation experiments show that when fruit removal rate is extremely low, population persistence is enhanced under relatively constant rain conditions, while alternating rain phases of the cyclic scenarios lead to a significant population decrease. This result confirms previous findings that periodically fluctuating environments may increase local extinction risk. However, when dispersal distance is a limiting factor (whilst removal rate was sufficiently high), tree clumps typically forming in wet phases of both cyclic scenarios compensated for the negative effect of low dispersal distances, while the constant scenario with random tree pattern and larger inter-tree distances resulted in a significant population decline. (C) 2003 Elsevier B.V. All rights reserved Y1 - 2004 ER - TY - JOUR A1 - Thiede, Rasmus Christoph A1 - Bookhagen, Bodo A1 - Arrowsmith, J. Ramón A1 - Sobel, Edward A1 - Strecker, Manfred T1 - Climatic control on rapid exhumation along the Southern Himalayan Front N2 - Along the Southern Himalayan Front (SHF), areas with concentrated precipitation coincide with rapid exhumation, as indicated by young mineral cooling ages. Twenty new, young ( < 1-5 Ma) apatite fission track (AFT) ages have been obtained from the Himalayan Crystalline Core along the Sutlej Valley, NW India. The AFT ages correlate with elevation, but show no spatial relationship to tectonic structures, such as the Main Central Thrust or the Southern Tibetan Fault System. Monsoonal precipitation in this region exerts a strong influence on erosional surface processes. Fluvial erosional unloading along the SHF is focused on high mountainous areas, where the orographic barrier forces out > 80% of the annual precipitation. AFT cooling ages reveal a coincidence between rapid erosion and exhumation that is focused in a similar to 50-70-km-wide sector of the Himalaya, rather than encompassing the entire orogen. Assuming simplified constant exhumation rates, the rocks of two age vs. elevation transects were exhumed at similar to 1.4 +/- 0.2 and similar to 1.1 +/- 0.4 mm/a with an average cooling rate of similar to 40-50degreesC/Ma during Pliocene-Quarternary time. Following other recently published hypotheses regarding the relation between tectonics and climate in the Himalaya, we suggest that this concentrated loss of material was accommodated by motion along a back-stepping thrust to the south and a normal fault zone to the north as part of an extruding wedge. Climatically controlled erosional processes focus on this wedge and suggest that climatically controlled surface processes determine tectonic deformation in the internal part of the Himalaya. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0012-821X ER - TY - JOUR A1 - Teubner, Wera A1 - Langheinrich, C. A1 - Seidel, Albrecht A1 - Steinberg, Pablo T1 - Inhibition of p53 transactivation activity does not promote mutagen-induced transformation of IEC-18 Y1 - 2004 SN - 0028-1298 ER - TY - JOUR A1 - Tedeschi, Concetta A1 - Li, L. A1 - Möhwald, Helmuth A1 - Spitz, Christian A1 - von Seggern, David A1 - Menzel, Ralf A1 - Kirstein, Stefan T1 - Engineering of layer-by-layer coated capsules with the prospect of materials for efficient and directed electron transfer N2 - We show a Lefschetz fixed point formula for holomorphic functions in a bounded domain D with smooth boundary in the complex plane. To introduce the Lefschetz number for a holomorphic map of D, we make use of the Bergman kernel of this domain. The Lefschetz number is proved to be the sum of the usual contributions of fixed points of the map in D and contributions of boundary fixed points, these latter being different for attracting and repulsing fixed points Y1 - 2004 ER - TY - JOUR A1 - Tokuda, I. A1 - Kurths, Jürgen A1 - Allaria, Eugenio A1 - Meucci, Riccardo A1 - Boccaletti, Stefano A1 - Arecchi, Fortunato Tito T1 - Predicting phase synchronization in a spiking chaotic CO2 laser N2 - An approach is presented for the reconstruction of phase synchronization phenomena in a chaotic CO2 laser from experimental data. We analyze this laser system in a regime able to phase synchronize with a weak sinusoidal forcing. Our technique recovers the synchronization diagram of the experimental system from only few measurement data sets, thus allowing the prediction of the regime of phase synchronization as well as nonsynchronization in a broad parameter space of forcing frequency and amplitude without further experiments Y1 - 2004 SN - 1063-651X ER - TY - JOUR A1 - Tarkhanov, Nikolai Nikolaevich T1 - Fixed point formula for holomorphic functions N2 - We show a Lefschetz fixed point formula for holomorphic functions in a bounded domain D with smooth boundary in the complex plane. To introduce the Lefschetz number for a holomorphic map of D, we make use of the Bergman kernel of this domain. The Lefschetz number is proved to be the sum of the usual contributions of fixed points of the map in D and contributions of boundary fixed points, these latter being different for attracting and repulsing fixed points Y1 - 2004 SN - 0002-9939 ER - TY - JOUR A1 - Taddei, F. A1 - Kleinpeter, Erich T1 - The anomeric effect in substituted cyclohexanes : I. The role of hyperconjugative interactions and steric effect in monosubstituted cyclohexanes N2 - The relative energy of conformers, DeltaE, of monosubstituted cyclohexanes with OR (R = Me, Et, i-Pr and t-Bu) and R substituents (R = Me, Et, i-Pr and t-Bu) was calculated with MO ab initio theory at RHF, MP2 and QCISD levels with the 6-311G* and 6-311 + G* basis sets. A selected group of delocalizing interactions were calculated with the natural bond orbital method in order to quantify the hyperconjugative contribution, DeltaE(hyp.), to the relative stability of conformers. From the calculated values of DeltaE and DeltaE(hyp.) an estimate of the differential steric effect, DeltaE(ster.), of substituents in cyclohexane was obtained. The values of DeltaE(hyp), and DeltaE(ster.) show that they have a similar magnitude for OR substituents, while for R substituents the values of are greater. The shift in the conformational equilibrium towards the axial conformer, the so-called anomeric effect, takes place when, within a series of substituents, hyperconjugative interactions and steric interactions balance in favour of the stability of this conformer. (C) 2004 Elsevier B.V. All rights reserved Y1 - 2004 SN - 0166-1280 ER - TY - JOUR A1 - Szatmari, Istvan A1 - Martinek, T. A. A1 - Lazar, L. A1 - Koch, Andreas A1 - Kleinpeter, Erich A1 - Neuvonen, Kari A1 - Fulop, Ferenc T1 - Stereoelectronic effects in ring-chain tautomerism of 1,3-diarylnaphth[1,2-e][1,3]oxazines and 3-alkyl-1- arylnaphth[1,2-e][1,3]oxazines N2 - The disubstitution effects of X and Y in 1-(Y-phenyl)-3-(X-phenyl)-2,3-dihydro-1H-naphth[1,2-e][1,3]oxazines on the ring-chain tautomerism, the delocalization of the nitrogen lone pair (anomeric effect), and the C-13 NMR chemical shifts were analyzed by using multiple linear regression analysis. Study of the three-component equilibrium B reversible arrow A reversible arrow C revealed that the chain reversible arrow trans (A reversible arrow B) equilibrium constants are significantly influenced by the inductive effect (sigma(F)) of substituent Y on the 1-phenyl ring. In contrast, no significant substituent dependence on Y was observed for the chain reversible arrow cis (A reversible arrow C) equilibrium. There was an analogous dependence for the epimerization (C reversible arrow B) constants of 1-(Y-phenyl)-3- alkyl-2,3-dihydro-1H-naphth[1,2-e] [1,3]oxazines. With these model compounds, significant overlapping energies of the nitrogen lone pair was observed by NBO analysis in the trans forms B (to sigma*(C1-C1'), sigma*(C1-C10b), and sigma*(C3-O4)) and in the cis forms C (to sigma*(C1-H), sigma*(C1-C10b), and sigma*(C3-O4)). The effects of disubstitution revealed some characteristic differences between the cis and trans isomers. However, the results do not suggest that the anomeric effect predominates in the preponderance of the trans over the cis isomer. When the C-13 chemical shift changes induced Y by substituents X and Y (SCS) were subjected to multiple linear regression analysis, negative rho(F)(Y) and rho(F)(X) values were observed at C-1 and C-3 for both the cis and trans isomers. In contrast, the positive rho(R)(Y) values at C-1 and the negative rho(R)(X) values at C-3 observed indicated the contribution of resonance structures f (rho(R) > 0) and g (rho(R) < 0), respectively. The classical double bond-no-bond resonance structures proved useful in explaining the substituent sensitivities of the donation energies and the behavior of the SCS values Y1 - 2004 SN - 0022-3263 ER - TY - JOUR A1 - Sugiyama, Masashi A1 - Kawanabe, Motoaki A1 - Müller, Klaus-Robert T1 - Trading variance reduction with unbiasedness : the regularized subspace information criterion for robust model selection in kernel regression N2 - A well-known result by Stein (1956) shows that in particular situations, biased estimators can yield better parameter estimates than their generally preferred unbiased counterparts. This letter follows the same spirit, as we will stabilize the unbiased generalization error estimates by regularization and finally obtain more robust model selection criteria for learning. We trade a small bias against a larger variance reduction, which has the beneficial effect of being more precise on a single training set. We focus on the subspace information criterion (SIC), which is an unbiased estimator of the expected generalization error measured by the reproducing kernel Hilbert space norm. SIC can be applied to the kernel regression, and it was shown in earlier experiments that a small regularization of SIC has a stabilization effect. However, it remained open how to appropriately determine the degree of regularization in SIC. In this article, we derive an unbiased estimator of the expected squared error, between SIC and the expected generalization error and propose determining the degree of regularization of SIC such that the estimator of the expected squared error is minimized. Computer simulations with artificial and real data sets illustrate that the proposed method works effectively for improving the precision of SIC, especially in the high-noise-level cases. We furthermore compare the proposed method to the original SIC, the cross-validation, and an empirical Bayesian method in ridge parameter selection, with good results Y1 - 2004 SN - 0899-7667 ER - TY - JOUR A1 - Strassmeier, Klaus G. A1 - Pallavicini, R. A1 - Rice, J. B. A1 - Andersen, Morten I. A1 - Zerbi, F. M. T1 - The science case of the PEPSI high-resolution echelle spectrograph and polarimeter for the LBT N2 - We lay out the scientific rationale for and present the instrumental requirements of a high-resolution adaptive- optics Echelle spectrograph with two full-Stokes polarimeters for the Large Binocular Telescope (LBT) in Arizona. Magnetic processes just like those seen on the Sun and in the space environment of the Earth are now well recognized in many astrophysical areas. The application to other stars opened up a new field of research that became widely known as the solar-stellar connection. Late-type stars with convective envelopes are all affected by magnetic processes which give rise to a rich variety of phenomena on their surface and are largely responsible for the heating of their outer atmospheres. Magnetic fields are likely to play a crucial role in the accretion process of T-Tauri stars as well as in the acceleration and collimation of jet-like flows in young stellar objects (YSOs). Another area is the physics of active galactic nucleii (AGNs), where the magnetic activity of the accreting black hole is now believed to be responsible for most of the behavior of these objects, including their X-ray spectrum, their notoriously dramatic variability, and the powerful relativistic jets they produce. Another is the physics of the central engines of cosmic gamma-ray bursts, the most powerful explosions in the universe, for which the extreme apparent energy release are explained through the collimation of the released energy by magnetic fields. Virtually all the physics of magnetic fields exploited in astrophysics is somehow linked to our understanding of the Sun's and the star's magnetic fields Y1 - 2004 SN - 0004-6337 ER -