@article{UusiHeikkilaBoeckenhoffWolteretal.2012, author = {Uusi-Heikkila, Silva and Boeckenhoff, Linda and Wolter, Christian and Arlinghaus, Robert}, title = {Differential Allocation by Female Zebrafish (Danio rerio) to Different-Sized Males - An Example in a Fish Species Lacking Parental Care}, series = {PLOS ONE}, volume = {7}, journal = {PLOS ONE}, number = {10}, publisher = {PUBLIC LIBRARY SCIENCE}, address = {SAN FRANCISCO}, issn = {1932-6203}, doi = {10.1371/journal.pone.0048317}, pages = {7}, year = {2012}, abstract = {Organisms allocate resources to reproduction in response to the costs and benefits of current and future reproductive opportunities. According to the differential allocation hypothesis, females allocate more resources to high-quality males. We tested whether a fish species lacking parental care (zebrafish, Danio rerio) expresses male size-dependent differential allocation in monogamous spawning trials. In addition, we tested whether reproductive allocation by females is affected by previous experience of different-quality males, potentially indicating plasticity in mate choice. To that end, females were conditioned to large, small or random-sized males (controls) for 14 days to manipulate females\’ expectations of the future mate quality. Females showed a clear preference for large males in terms of spawning probability and clutch size independent of the conditioning treatment. However, when females experienced variation in male size (random-sized conditioning treatment) they discriminated less against small males compared to females conditioned to large and small males. This might suggest that differential allocation and size-dependent sexual selection is of less relevance in nature than revealed in the present laboratory study.}, language = {en} } @article{UnuabonahElKhaiaryOluOwolabietal.2012, author = {Unuabonah, Emmanuel Iyayi and El-Khaiary, Mohammad I. and Olu-Owolabi, Bamidele I. and Adebowale, Kayode O.}, title = {Predicting the dynamics and performance of a polymer-clay based composite in a fixed bed system for the removal of lead (II) ion}, series = {Chemical engineering research and design}, volume = {90}, journal = {Chemical engineering research and design}, number = {8}, publisher = {Inst. of Electr. and Electronics Engineers}, address = {Rugby}, issn = {0263-8762}, doi = {10.1016/j.cherd.2011.11.009}, pages = {1105 -- 1115}, year = {2012}, abstract = {A polymer-clay based composite adsorbent was prepared from locally obtained kaolinite clay and polyvinyl alcohol. The composite adsorbent was used to remove lead (II) ions from aqueous solution in a fixed bed mode. The increase in bed height and initial metal ion concentration increased the adsorption capacity of lead (II) and the volume of aqueous solution treated at 50\% breakthrough. However, the adsorption capacity was reduced by almost 16.5\% with the simultaneous presence of Ca2+/Pb2+ and Na+/Pb2+ in the aqueous solution. Regeneration of the adsorbent with 0.1 M of HCl also reduced its adsorption capacity to 75.1\%. Adsorption of lead (II) ions onto the polymer-clay composite adsorbent in the presence of Na+ and Ca2+ electrolyte increased the rate of mass transfer, probably due to competition between cationic species in solution for adsorption sites. Regeneration further increased the rate of mass transfer as a result of reduced adsorption sites after the regeneration process. The length of the mass transfer zone was found to increase with increasing bed height but did not change with increasing the initial metal ion concentration. The models of Yoon-Nelson, Thomas, and Clark were found to give good fit to adsorption data. On the other hand, Bohart-Adams model was found to be a poor predictor for the column operation. The polymer-clay composite adsorbent has a good potential for the removal of lead (II) ions from highly polluted aqueous solutions.}, language = {en} } @article{UngruBlueherCoenenetal.2012, author = {Ungru, J. and Bl{\"u}her, M. and C{\"o}nen, M. and Raila, Jens and Boston, R. and Vervuert, I.}, title = {Effects of body weight reduction on blood adipokines and subcutaneous adipose tissue adipokine mRNA expression profiles in obese ponies}, series = {The veterinary record}, volume = {171}, journal = {The veterinary record}, number = {21}, publisher = {British Veterinary Association}, address = {London}, issn = {0042-4900}, doi = {10.1136/vr.100911}, pages = {528 -- +}, year = {2012}, abstract = {Fifteen obese ponies were used in a body weight (BW) reduction programme (BWRP, daily energy intake: 7.0-8.4 MJ/100 kg BW). A frequently sampled intravenous glucose tolerance test was used to assess insulin sensitivity. Subcutaneous adipose tissue biopsies of the tail head were obtained for mRNA gene expression profiles of adiponectin, retinol-binding protein 4 (RBP4), interleukin 6 (IL-6) and macrophage activation marker (CD68) before and after BWRP. Blood samples were analysed for serum leptin, serum RBP4 and plasma adiponectin. Significant BW losses occurred with 7 MJ DE/100 kg BW. Serum leptin and RBP4 were initially similar between insulin-resistant (IR) and insulin-sensitive (IS) ponies, and both significantly decreased during BWRP. Compared with IS ponies, IR ponies initially had significantly lower plasma adiponectin levels. At the beginning of BWRP, mRNA expression of RBP4, adiponectin, IL-6 and CD68 was similar between IR and IS ponies. Plasma adiponectin was strongly related to IR, whereas serum leptin and RBP4 were closely linked to adiposity, independent of insulin sensitivity. Adipose tissue mRNA expression profiles did not clearly reflect these differences. However, the role of subcutaneous adipose tissue in IR remains open.}, language = {en} } @article{UllnerAresMorellietal.2012, author = {Ullner, E. and Ares, S. and Morelli, L. G. and Oates, A. C. and J{\"u}licher, F. and Nicola, E. and Heussen, R. and Whitmore, D. and Blyuss, K. and Fryett, M. and Zakharova, A. and Koseska, A. and Nene, N. R. and Zaikin, Alexei}, title = {Noise and oscillations in biological sysems multidisciplinary approach between experimental biology, theoretical modelling and synthetic biology}, series = {International journal of modern physics : B, Condensed matter physics, statistical physics, applied physics}, volume = {26}, journal = {International journal of modern physics : B, Condensed matter physics, statistical physics, applied physics}, number = {25}, publisher = {World Scientific}, address = {Singapore}, issn = {0217-9792}, doi = {10.1142/S0217979212460095}, pages = {12}, year = {2012}, abstract = {Rapid progress of experimental biology has provided a huge flow of quantitative data, which can be analyzed and understood only through the application of advanced techniques recently developed in theoretical sciences. On the other hand, synthetic biology enabled us to engineer biological models with reduced complexity. In this review we discuss that a multidisciplinary approach between this sciences can lead to deeper understanding of the underlying mechanisms behind complex processes in biology. Following the mini symposia "Noise and oscillations in biological systems" on Physcon 2011 we have collected different research examples from theoretical modeling, experimental and synthetic biology.}, language = {en} } @article{UhligMadaboosiSchmidtetal.2012, author = {Uhlig, Katja and Madaboosi, Narayanan and Schmidt, Stephan and J{\"a}ger, Magnus S. and Rose, J{\"u}rgen and Duschl, Claus and Volodkin, Dmitry V.}, title = {3d localization and diffusion of proteins in polyelectrolyte multilayers}, series = {Soft matter}, volume = {8}, journal = {Soft matter}, number = {47}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1744-683X}, doi = {10.1039/c2sm26500a}, pages = {11786 -- 11789}, year = {2012}, abstract = {The interaction of diverse biomaterials with surfaces is more crucial than ever for biomedical applications to ensure efficiency and reproducibility. Very interesting surface materials are micrometer-thick polyelectrolyte multilayers. Not only their surface but also the bulk can be loaded with biomaterials like proteins or DNA for various purposes. Therefore, we established a method to analyze the lateral and vertical distribution of fluorescently labelled proteins of various size and charge in polyelectrolyte films composed of poly(L-lysine) and hyaluronic acid by confocal laser scanning microscopy. This approach enables us to measure the diffusion coefficients of the proteins via fluorescence recovery after photobleaching as a function of their vertical position in the film and facilitates the understanding of molecular interactions in the film with a high resolution in both space and time. As a result, we confirm that protein loading in the film is driven by electrostatic interactions - uncharged dextran molecules of 10 and 500 kDa do not diffuse into the film. Proteins of different sizes (3-11 nm) can diffuse relatively fast (D = 2-4 mm(2) s(-1)) independent of their net charge, indicating complex interpolymer interactions. This approach is a new powerful experimental tool to design the polyelectrolyte multilayers for bio-applications by finding a relationship between intermolecular interactions and mobility and availability of biomolecules to biological samples (e.g. cells) or detection units (e.g. biosensors).}, language = {en} } @article{TuerkeAndreasGossneretal.2012, author = {T{\"u}rke, Manfred and Andreas, Kerstin and Gossner, Martin M. and Kowalski, Esther and Lange, Markus and Boch, Steffen and Socher, Stephanie A. and M{\"u}ller, J{\"o}rg and Prati, Daniel and Fischer, Markus and Meyh{\"o}fer, Rainer and Weisser, Wolfgang W.}, title = {Are gastropods, rather than ants, important dispersers of seeds of myrmecochorous forest herbs?}, series = {The American naturalist : a bi-monthly journal devoted to the advancement and correlation of the biological sciences}, volume = {179}, journal = {The American naturalist : a bi-monthly journal devoted to the advancement and correlation of the biological sciences}, number = {1}, publisher = {Univ. of Chicago Press}, address = {Chicago}, issn = {0003-0147}, doi = {10.1086/663195}, pages = {124 -- 131}, year = {2012}, abstract = {Seed dispersal by ants (myrmecochory) is widespread, and seed adaptations to myrmecochory are common, especially in the form of fatty appendices (elaiosomes). In a recent study, slugs were identified as seed dispersers of myrmecochores in a central European beech forest. Here we used 105 beech forest sites to test whether myrmecochore presence and abundance is related to ant or gastropod abundance and whether experimentally exposed seeds are removed by gastropods. Myrmecochorous plant cover was positively related to gastropod abundance but was negatively related to ant abundance. Gastropods were responsible for most seed removal and elaiosome damage, whereas insects (and rodents) played minor roles. These gastropod effects on seeds were independent of region or forest management. We suggest that terrestrial gastropods can generally act as seed dispersers of myrmecochorous plants and even substitute myrmecochory, especially where ants are absent or uncommon.}, language = {en} } @article{TurhanSaracGencturketal.2012, author = {Turhan, Metehan C. and Sarac, A. Sezai and Gencturk, Asli and Gilsing, Hans-Detlev and Faltz, Heike and Schulz, Burkhard}, title = {Electrochemical impedance characterization and potential dependence of poly[3,4-(2,2-dibutylpropylenedioxy)thiophene] nanostructures on single carbon fiber microelectrode}, series = {Synthetic metals : the journal of electronic polymers and electronic molecular materials}, volume = {162}, journal = {Synthetic metals : the journal of electronic polymers and electronic molecular materials}, number = {5-6}, publisher = {Elsevier}, address = {Lausanne}, issn = {0379-6779}, doi = {10.1016/j.synthmet.2012.01.012}, pages = {511 -- 515}, year = {2012}, abstract = {The electropolymerization of 3,4-(2,2-dibutylpropylenedioxy)thiophene (ProDOT-Bu-2) onto single carbon fiber microelectrode (SCFME) was conducted in acetonitrile (ACN) containing sodium perchlorate (NaClO4) as electrolyte and investigated by cyclic voltammetry (CV). The nanostructured films of poly[3,4-(2,2-dibutyl-propyleneclioxy)thiophene] (PProDOT-Bu-2) which were depositing showed complete reversible redox behavior in monomer-free electrolyte solution. The capacitive behavior of the films was investigated by electrochemical impedance spectroscopy (EIS) at applied potentials from 0.1 V to 1.3 V. The analysis by equivalent circuit modeling revealed an applied potential around 0.4V to be most suitable for the system PProDOT-Bu-2/SCFME as a double layer supercapacitor component inducing a double layer capacitance C-d, value of 62 mFcm(-2).}, language = {en} } @article{TschentscherHaukFischeretal.2012, author = {Tschentscher, Nadja and Hauk, Olaf and Fischer, Martin H. and Pulverm{\"u}ller, Friedemann}, title = {You can count on the motor cortex finger counting habits modulate motor cortex activation evoked by numbers}, series = {NeuroImage : a journal of brain function}, volume = {59}, journal = {NeuroImage : a journal of brain function}, number = {4}, publisher = {Elsevier}, address = {San Diego}, issn = {1053-8119}, doi = {10.1016/j.neuroimage.2011.11.037}, pages = {3139 -- 3148}, year = {2012}, abstract = {The embodied cognition framework suggests that neural systems for perception and action are engaged during higher cognitive processes. In an event-related fMRI study, we tested this claim for the abstract domain of numerical symbol processing: is the human cortical motor system part of the representation of numbers, and is organization of numerical knowledge influenced by individual finger counting habits? Developmental studies suggest a link between numerals and finger counting habits due to the acquisition of numerical skills through finger counting in childhood. In the present study, digits 1 to 9 and the corresponding number words were presented visually to adults with different finger counting habits, i.e. left- and right-starters who reported that they usually start counting small numbers with their left and right hand, respectively. Despite the absence of overt hand movements, the hemisphere contralateral to the hand used for counting small numbers was activated when small numbers were presented. The correspondence between finger counting habits and hemispheric motor activation is consistent with an intrinsic functional link between finger counting and number processing.}, language = {en} } @article{TsaiKlieglYan2012, author = {Tsai, Jie-Li and Kliegl, Reinhold and Yan, Ming}, title = {Parafoveal semantic information extraction in traditional Chinese reading}, series = {Acta psychologica : international journal of psychonomics}, volume = {141}, journal = {Acta psychologica : international journal of psychonomics}, number = {1}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0001-6918}, doi = {10.1016/j.actpsy.2012.06.004}, pages = {17 -- 23}, year = {2012}, abstract = {Semantic information extraction from the parafovea has been reported only in simplified Chinese for a special subset of characters and its generalizability has been questioned. This study uses traditional Chinese, which differs from simplified Chinese in visual complexity and in mapping semantic forms, to demonstrate access to parafoveal semantic information during reading of this script. Preview duration modulates various types (identical, phonological, and unrelated) of parafoveal information extraction. Parafoveal semantic extraction is more elusive in English; therefore, we conclude that such effects in Chinese are presumably caused by substantial cross-language differences from alphabetic scripts. The property of Chinese characters carrying rich lexical information in a small region provides the possibility of semantic extraction in the parafovea.}, language = {en} } @article{TraegerKoenigStaedtkeetal.2012, author = {Tr{\"a}ger, Juliane and K{\"o}nig, Jana and St{\"a}dtke, Anja and Holdt, Hans-J{\"u}rgen}, title = {Development of a solvent extraction system with 1,2-bis(2-methoxyethylthio) benzene for the selective separation of palladium(II) from secondary raw materials}, series = {Hydrometallurgy : an international journal devoted to all aspects of the aqueous processing of metals}, volume = {127}, journal = {Hydrometallurgy : an international journal devoted to all aspects of the aqueous processing of metals}, number = {5}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0304-386X}, doi = {10.1016/j.hydromet.2012.07.002}, pages = {30 -- 38}, year = {2012}, abstract = {The chelating dithioether 1,2-bis(2-methoxyethylthio)benzene. a novel solvent extractant for Pd(II), is aimed to be utilised in the selective recovery of palladium from spent automotive catalysts. For that, the extraction system has been further customised, including the choice of an appropriate diluent (1,2-dichlorobenzene) as well as an effective stripping agent (0.5 M thiourea in 0.1 M HCl), which both have been selected from a number of potential agents. It is shown in batch experiments that the selectivity for Pd(II) is maintained when the organic phase (10(-2) M 1,2-bis(2-methoxyethylthio)benzene in 1,2-dichlorobenzene) is used several times to extract an oxidising leach solution. According to the McCabe-Thiele plot two theoretical stages are needed to extract more than 98\% of the Pd(II) contained in that solution. The calculation of the thermodynamic quantities Delta H degrees. Delta S degrees and Delta G degrees reveals that the reaction is entropy driven - the temperature has only a slight influence on the extraction yield. It is demonstrated that the mono-oxidised extractant has a catalytic effect on the extraction kinetics when the aqueous phase contains highly concentrated hydrochloric acid. HPLC measurements prove the presence of small quantities of 1-(2-methoxyethylsulfinyl)-2-(2-methoxyethylthio) benzene in the organic phase.}, language = {en} } @article{TraegerKlamrothKellingetal.2012, author = {Tr{\"a}ger, Juliane and Klamroth, Tillmann and Kelling, Alexandra and Lubahn, Susanne and Cleve, Ernst and Mickler, Wulfhard and Heydenreich, Matthias and M{\"u}ller, Holger and Holdt, Hans-J{\"u}rgen}, title = {Complexation of Palladium(II) with unsaturated Dithioethers a systematic development of highly selective ligands for solvent extraction}, series = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe}, journal = {European journal of inorganic chemistry : a journal of ChemPubSoc Europe}, number = {14}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1434-1948}, doi = {10.1002/ejic.201101406}, pages = {2341 -- 2352}, year = {2012}, abstract = {There is a demand for new and robust PdII extractants due to growing recycling rates. Chelating dithioethers are promising substances for solvent extraction as they form stable square-planar complexes with PdII. We have modified unsaturated dithioethers, which are known to coordinate PdII, and adapted them to the requirements of industrial practice. The ligands are analogues of 1,2-dithioethene with varying electron-withdrawing backbones and polar end-groups. The crystal structures of several ligands and their palladium complexes were determined as well as their electro- and photochemical properties, complex stability and behaviour in solution. Solvent extraction experiments showed the superiority of some of our ligands over conventionally used extractants in terms of their very fast reaction rates. With highly selective 1,2-bis(2-methoxyethylthio)benzene (4) it is possible to extract PdII from a highly acidic medium in the presence of other base and palladium-group metals.}, language = {en} } @article{TraegerKellingSchildeetal.2012, author = {Tr{\"a}ger, J. and Kelling, A. and Schilde, Uwe and Holdt, H. -J.}, title = {rac-1-[(2-Methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene and its PdCl2 complex}, series = {Acta crystallographica : Section C, Crystal structure communications}, volume = {68}, journal = {Acta crystallographica : Section C, Crystal structure communications}, number = {9}, publisher = {Wiley-Blackwell}, address = {Hoboken}, issn = {0108-2701}, doi = {10.1107/S0108270112032192}, pages = {M238 -- +}, year = {2012}, abstract = {As an extension of recent findings on the recovery of palladium with dithioether extractants, single crystals of the chelating vicinal thioether sulfoxide ligand rac-1-[(2-methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene, C12H18O3S2, (I), and its square-planar dichloridopalladium complex, rac-dichlorido{1-[(2-methoxyethyl)sulfanyl]-2-[(2-methoxyethyl)sulfinyl]benzene-?2S,S'}palladium(II), [PdCl2(C12H18O3S2)], (II), have been synthesized and their structures analysed. The molecular structure of (II) is the first ever characterized involving a dihalogenidePdII complex in which the palladium is bonded to both a thioether and a sulfoxide functional group. The structural and stereochemical characteristics of the ligand are compared with those of the analogous dithioether compound [Traeger et al. (2012). Eur. J. Inorg. Chem. pp. 23412352]. The sulfinyl O atom suppresses the electron-pushing and mesomeric effect of the SC...;CS unit in ligand (I), resulting in bond lengths significantly different than in the dithioether reference compound. In contrast, in complex (II), those bond lengths are nearly the same as in the analogous dithioether complex. As observed previously, there is an interaction between the central PdII atom and the O atom that is situated above the plane.}, language = {en} } @article{TrukenbrodEngbert2012, author = {Trukenbrod, Hans Arne and Engbert, Ralf}, title = {Eye movements in a sequential scanning task - evidence for distributed processing}, series = {Journal of vision}, volume = {12}, journal = {Journal of vision}, number = {1}, publisher = {Association for Research in Vision and Opthalmology}, address = {Rockville}, issn = {1534-7362}, doi = {10.1167/12.1.5}, pages = {12}, year = {2012}, abstract = {Current models of eye movement control are derived from theories assuming serial processing of single items or from theories based on parallel processing of multiple items at a time. This issue has persisted because most investigated paradigms generated data compatible with both serial and parallel models. Here, we study eye movements in a sequential scanning task, where stimulus n indicates the position of the next stimulus n + 1. We investigate whether eye movements are controlled by sequential attention shifts when the task requires serial order of processing. Our measures of distributed processing in the form of parafoveal-on-foveal effects, long-range modulations of target selection, and skipping saccades provide evidence against models strictly based on serial attention shifts. We conclude that our results lend support to parallel processing as a strategy for eye movement control.}, language = {en} } @article{TrotzkyChenFleschetal.2012, author = {Trotzky, S. and Chen, Y-A. and Flesch, A. and McCulloch, I. P. and Schollw{\"o}ck, U. and Eisert, J. and Bloch, I.}, title = {Probing the relaxation towards equilibrium in an isolated strongly correlated one-dimensional Bose gas}, series = {Nature physics}, volume = {8}, journal = {Nature physics}, number = {4}, publisher = {Nature Publ. Group}, address = {London}, issn = {1745-2473}, doi = {10.1038/NPHYS2232}, pages = {325 -- 330}, year = {2012}, abstract = {The problem of how complex quantum systems eventually come to rest lies at the heart of statistical mechanics. The maximum-entropy principle describes which quantum states can be expected in equilibrium, but not how closed quantum many-body systems dynamically equilibrate. Here, we report the experimental observation of the non-equilibrium dynamics of a density wave of ultracold bosonic atoms in an optical lattice in the regime of strong correlations. Using an optical superlattice, we follow its dynamics in terms of quasi-local densities, currents and coherences-all showing a fast relaxation towards equilibrium values. Numerical calculations based on matrix-product states are in an excellent quantitative agreement with the experimental data. The system fulfills the promise of being a dynamical quantum simulator, in that the controlled dynamics runs for longer times than present classical algorithms can keep track of.}, language = {en} } @article{TronickePaascheBoeniger2012, author = {Tronicke, Jens and Paasche, Hendrik and B{\"o}niger, Urs}, title = {Crosshole traveltime tomography using particle swarm optimization a near-surface field example}, series = {Geophysics}, volume = {77}, journal = {Geophysics}, number = {1}, publisher = {Society of Exploration Geophysicists}, address = {Tulsa}, issn = {0016-8033}, doi = {10.1190/GEO2010-0411.1}, pages = {R19 -- R32}, year = {2012}, abstract = {Particle swarm optimization (PSO) is a relatively new global optimization approach inspired by the social behavior of bird flocking and fish schooling. Although this approach has proven to provide excellent convergence rates in different optimization problems, it has seldom been applied to inverse geophysical problems. Until today, published geophysical applications mainly focus on finding an optimum solution for simple, 1D inverse problems. We have applied PSO-based optimization strategies to reconstruct 2D P-wave velocity fields from crosshole traveltime data sets. Our inversion strategy also includes generating and analyzing a representative ensemble of acceptable models, which allows us to appraise uncertainty and nonuniqueness issues. The potential of our strategy was tested on field data collected at a well-constrained test site in Horstwalde, Germany. At this field site, the shallow subsurface mainly consists of sand- and gravel-dominated glaciofluvial sediments, which, as known from several boreholes and other geophysical experiments, exhibit some well-defined layering at the scale of our crosshole seismic data. Thus, we have implemented a flexible, layer-based model parameterization, which, compared with standard cell-based parameterizations, allows for significantly reducing the number of unknown model parameters and for efficiently implementing a priori model constraints. Comparing the 2D velocity fields resulting from our PSO strategy to independent borehole and direct-push data illustrated the benefits of choosing an efficient global optimization approach. These include a straightforward and understandable appraisal of nonuniqueness issues as well as the possibility of an improved and also more objective interpretation.}, language = {en} } @article{TremblayFuechselSaalfrank2012, author = {Tremblay, Jean Christophe and F{\"u}chsel, Gernot and Saalfrank, Peter}, title = {Excitation, relaxation, and quantum diffusion of CO on copper}, series = {Physical review : B, Condensed matter and materials physics}, volume = {86}, journal = {Physical review : B, Condensed matter and materials physics}, number = {4}, publisher = {American Physical Society}, address = {College Park}, issn = {1098-0121}, doi = {10.1103/PhysRevB.86.045438}, pages = {13}, year = {2012}, abstract = {We investigate the effect of intermode coupling and anharmonicity on the excitation and relaxation dynamics of CO on Cu(100). The nonadiabatic coupling of the adsorbate to the surface is treated perturbatively using a position-dependent state-resolved transition rate model. Using the potential energy surface of Marquardt et al. [J. Chem. Phys. 132, 074108 (2010)], which provides an accurate description of intermode interactions, we propose a four-dimensional model that represents simultaneously the diffusion and the desorption of the adsorbate. The system is driven by both rational and optimized infrared laser pulses to favor either selective mode and state excitations or lateral displacement along the diffusion coordinate. The dissipative dynamics is simulated using the reduced density matrix in its Lindblad form. We show that coupling between the degrees of freedom, mediated by the creation and annihilation of electron-hole pairs in the metal substrate, significantly affects the system excitation and relaxation dynamics. In particular, the angular degrees of freedom appear to play an important role in the energy redistribution among the molecule-surface vibrations. We also show that coherent excitation using simple IR pulses can achieve population transfer to a specific target to some extent but does not allow enforcement of the directionality to the diffusion motion.}, language = {en} } @article{Tonita2012, author = {Tonita, Aaryn}, title = {Distributional sources for black hole initial data}, series = {Classical and quantum gravit}, volume = {29}, journal = {Classical and quantum gravit}, number = {1}, publisher = {IOP Publ. Ltd.}, address = {Bristol}, issn = {0264-9381}, doi = {10.1088/0264-9381/29/1/015001}, pages = {16}, year = {2012}, abstract = {Black hole initial data are usually produced using Bowen-York-type puncture initial data or by applying an excision boundary condition. The benefits of the Bowen-York initial data are the ability to specify the spin and momentum of the system as parameters of the initial data. In an attempt to extend these benefits to other formulations of the Einstein constraints, the puncture method is reformulated using distributions as source terms. It is shown how the Bowen-York puncture black hole initial data and the trumpet variation are generated by distributional sources. A heuristic argument is presented to argue that these sources are the general sources of spin and momentum. In order to clarify the meaning of other distributional sources, an exact family of initial data with generalized sources to the Hamiltonian constraint are studied; spinning trumpet black hole initial data and black hole initial data with higher order momentum sources are also studied.}, language = {en} } @article{TomovskiSandevMetzleretal.2012, author = {Tomovski, Zivorad and Sandev, Trifce and Metzler, Ralf and Dubbeldam, Johan}, title = {Generalized space-time fractional diffusion equation with composite fractional time derivative}, series = {Physica : europhysics journal ; A, Statistical mechanics and its applications}, volume = {391}, journal = {Physica : europhysics journal ; A, Statistical mechanics and its applications}, number = {8}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0378-4371}, doi = {10.1016/j.physa.2011.12.035}, pages = {2527 -- 2542}, year = {2012}, abstract = {We investigate the solution of space-time fractional diffusion equations with a generalized Riemann-Liouville time fractional derivative and Riesz-Feller space fractional derivative. The Laplace and Fourier transform methods are applied to solve the proposed fractional diffusion equation. The results are represented by using the Mittag-Leffler functions and the Fox H-function. Special cases of the initial and boundary conditions are considered. Numerical scheme and Grunwald-Letnikov approximation are also used to solve the space-time fractional diffusion equation. The fractional moments of the fundamental solution of the considered space-time fractional diffusion equation are obtained. Many known results are special cases of those obtained in this paper. We investigate also the solution of a space-time fractional diffusion equations with a singular term of the form delta(x). t-beta/Gamma(1-beta) (beta > 0).}, language = {en} } @article{TiseanuCojocaruParvulescuetal.2012, author = {Tiseanu, Carmen and Cojocaru, Bogdan and Parvulescu, Vasile I. and Sanchez-Dominguez, Margarita and Primus, Philipp A. and Boutonnet, Magali}, title = {Order and disorder effects in nano-ZrO2 investigated by micro-Raman and spectrally and temporarily resolved photoluminescence}, series = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, volume = {14}, journal = {Physical chemistry, chemical physics : a journal of European Chemical Societies}, number = {37}, publisher = {Royal Society of Chemistry}, address = {Cambridge}, issn = {1463-9076}, doi = {10.1039/c2cp41946g}, pages = {12970 -- 12981}, year = {2012}, abstract = {Pure and europium (Eu3+) doped ZrO2 synthesized by an oil-in-water microemulsion reaction method were investigated by in situ and ex situ X-ray diffraction (XRD), ex situ Raman spectroscopy, high-resolution transmission electron microscopy (HRTEM), steady state and time-resolved photoluminescence (PL) spectroscopies. Based on the Raman spectra excited at three different wavelengths i.e. 488, 514 and 633 nm and measured in the spectral range of 150-4000 cm(-1) the correlation between the phonon spectra of ZrO2 and luminescence of europium is clearly evidenced. The PL investigations span a variety of steady-state and time resolved measurements recorded either after direct excitation of the Eu3+ f-f transitions or indirect excitation into UV charge-transfer bands. After annealing at 500 degrees C, the overall Eu3+ emission is dominated by Eu3+ located in tetragonal symmetry lattice sites with a crystal-field splitting of the D-5(0)-F-7(1) emission of 20 cm(-1). Annealing of ZrO2 at 1000 degrees C leads to a superposition of Eu3+ emissions from tetragonal and monoclinic lattice sites with monoclinic crystal-field splitting of 200 cm(-1) for the D-5(0)-F-7(1) transition. At all temperatures, a non-negligible amorphous/disordered content is also measured and determined to be of monoclinic nature. It was found that the evolutions with calcination temperature of the average PL lifetimes corresponding to europium emission in the tetragonal and monoclinic sites and the monoclinic phase content of the Eu3+ doped ZrO2 samples follow a similar trend. By use of specific excitation conditions, the distribution of europium on the amorphous/disordered surface or ordered/crystalline sites can be identified and related to the phase content of zirconia. The role of zirconia host as a sensitizer for the europium PL is also discussed in both tetragonal and monoclinic phases.}, language = {en} } @article{Tischer2012, author = {Tischer, Ute}, title = {Servius und Rom : Lokalit{\"a}ten en passant}, isbn = {978-3-11-022213-5}, year = {2012}, language = {de} }