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The title compound, [Tl4(C4H9O)4], featuring a (Tl—O)4 cube, crystallizes with a quarter-molecule (located on a special position of site symmetry An external file that holds a picture, illustration, etc. Object name is e-66-m1621-efi1.jpg..) and a half-molecule (located on a special position of site symmetry 23.) in the asymmetric unit. The Tl—O bond distances range from 2.463 (12) to 2.506 (12) Å. All O—Tl—O bond angles are smaller than 90° whereas the Tl—O—Tl angles are wider than a rectangular angle.
Ad fontes. Wir wissen, daß fast alle Werke Thomas Manns ihre langen Wurzeln haben, und kaum ein anderer Roman hat längere als die Geschichte des Doktor Faustus. Sie sind, wenn man so sagen darf, über vierzig Jahre lang, und es versteht sich von selbst, daß sich der Stoff über einen so großen Zeitraum wandelte. Wir kennen den berühmten Dreizeilenplan aus dem Jahre 1901 - so wurde er von Thomas Mann selbst am 17. März 1943 benannt. Aber es war - darauf hat Peter de Mendelssohn in seinem Nachwort zur Frankfurter Ausgabe des Romans hingewiesen - nicht ein Dreizeilenplan, sondern es gab derer zwei. Der erste lautete (in Thomas Manns Notizbuch 7 festgehalten): "Zum Roman. Der syphilitische Künstler nähert sich von Sehnsucht getrieben einem reinen, süßen jungen Mädchen, betreibt die Verlobung mit der Ahnungslosen und erschießt sich dicht vor der Hochzeit". Man kann diesen Plan durchaus als Variation der Verführungsgeschichte Fausts und Gretchens lesen, auch wenn von einem Teufelspakt nicht die Rede ist und nicht Gretchen umkommt, sondern der Künstler, der Opfer einer venerischen Erkrankung ist. Aber das "reine, süße junge Mädchen": unverkennbar eine Gretchen-Gestalt. Der zweite Plan, wohl auf Ende 1904 zu datieren, ist von Mendelssohn als Variante und Fortführung der ersten Niederschrift charakterisiert worden, aber bei genauerem Hinsehen zeigt sich, daß es eigentlich ein ganz anderer Plan ist, in den der erste zwar aufgenommen ist, aber darin ein Fremdkörper bleibt.
Ĉlánek je zasazen do kontextu vyuĉování němĉiny jako cizího jazyka. Zabývá se vztahem mezi deskriptivním, resp. narativním textem a textovou prací zaloţenou na naraci ţáka na straně jedné a emocemi ţáka na straně druhé. Výsledky dosavadních výzkumŧ tohoto vztahu, jeţ vycházejí z posledních konceptŧ narace jako základní existenciální struktury bytí, naznaĉují, ţe narativní text a receptivní i produktivní narativní pracovní postupy ve vyuĉování a uĉení se jazyku indukují specifický potenciál pozitivních emocí a postojŧ ţáka.
This work investigated the applicability of global pairwise sequence alignment to the detection of functional analogues in virtual screening. This variant of sequence comparison was developed for the identification of homologue proteins based on amino acid or nucleotide sequences. Because of the significant differences between biopolymers and small molecules several aspects of this approach for sequence comparison had to be adapted. All proposed concepts were implemented as the ‘Pharmacophore Alignment Search Tool’ (PhAST) and evaluated in retrospective experiments on the COBRA dataset in version 6.1. The aim to identify functional analogues raised the necessity for identification and classification of functional properties in molecular structures. This was realized by fragment-based atom-typing, where one out of nine functional properties was assigned to each non-hydrogen atom in a structure. These properties were pre-assigned to atoms in the fragments. Whenever a fragment matched a substructure in a molecule, the assigned properties were transferred from fragment atoms to structure atoms. Each functional property was represented by exactly one symbol. Unlike amino acid or nucleotide sequences, small drug-like molecules contain branches and cycles. This was a major obstacle in the application of sequence alignment to virtual screening, since this technique can only be applied to linear sequences of symbols. The best linearization technique was shown to be Minimum Volume Embedding. To the best of knowledge, this work represents the first application of dimensionality reduction to graph linearization. Sequence alignment relies on a scoring system that rates symbol equivalences (matches) and differences (mismatches) based on functional properties that correspond to rated symbols. Existing scoring schemes are applicable only to amino acids and nucleotides. In this work, scoring schemes for functional properties in drug-like molecules were developed based on property frequencies and isofunctionality judged from chemical experience, pairwise sequence alignments, pairwise kernel-based assignments and stochastic optimization. The scoring system based on property frequencies and isofunctionality proved to be the most powerful (measured in enrichment capability). All developed scoring systems performed superior compared to simple scoring approaches that rate matches and mismatches uniformly. The frameworks proposed for score calculations can be used to guide modifications to the atom-typing in promising directions. The scoring system was further modified to allow for emphasis on particular symbols in a sequence. It was proven that the application of weights to symbols that correspond to key interaction points important to receptor-ligand-interaction significantly improves screening capabilities of PhAST. It was demonstrated that the systematic application of weights to all sequence positions in retrospective experiments can be used for pharmacophore elucidation. A scoring system based on structural instead of functional similarity was investigated and found to be suitable for similarity searches in shape-constrained datasets. Three methods for similarity assessment based on alignments were evaluated: Sequence identity, alignment score and significance. PhAST achieved significantly higher enrichment with alignment scores compared to sequence identity. p-values as significance estimates were calculated in a combination of Marcov Chain Monte Carlo Simulation and Importance Sampling. p-values were adapted to library size in a Bonferroni correction, yielding E-values. A significance threshold of an E-value of 1*10-5 was proposed for the application in prospective screenings. PhAST was compared to state-of-the-art methods for virtual screening. The unweighted version was shown to exhibit comparable enrichment capabilities. Compound rankings obtained with PhAST were proven to be complementary to those of other methods. The application to three-dimensional instead of two-dimensional molecular representations resulted in altered compound rankings without increased enrichment. PhAST was employed in two prospective applications. A screening for non-nucleoside analogue inhibitors of bacterial thymidin kinase yielded a hit with a distinct structural framework but only weak activity. The search for drugs not member of the NSAID (non-steroidal anti-inflammatory drug) class as modulators of gamma-secretase resulted in a potent modulator with clear structural distiction from the reference compound. The calculation of significance estimates, emphasizing on key interactions, the pharmacophore elucidation capabilities and the unique compound rannkings set PhAST apart from other screening techniques.
NEW TECHNOLOGIES LIKE GRID COMPUTING WHICH CAN CONNECT RESOURCES AT DIVERSE LOCATIONS ARE MORE AND MORE ADOPTED FROM ORGANIZATIONS. SUCH TECHNOLOGIES CAN BOTH TRIGGER LINKAGES BETWEEN ORGANIZATIONS AND DIFFERENT DEPARTMENTS IN ONE SINGLE ORGANIZATION. WE DEVELOP A MODEL WHICH ACCOUNTS BOTH FOR INTER- AND INTRA-ORGANIZATIONAL INFLUENCE FACTORS ON THE ADOPTION PROCESS AND EMPIRICALLY IDENTIFIES THE MOST SIGNIFICANT INFLUENCE FACTORS.
The design, construction, and commissioning of the ALICE Time-Projection Chamber (TPC) is described. It is the main device for pattern recognition, tracking, and identification of charged particles in the ALICE experiment at the CERN LHC. The TPC is cylindrical in shape with a volume close to 90 m3 and is operated in a 0.5 T solenoidal magnetic field parallel to its axis.
In this paper we describe in detail the design considerations for this detector for operation in the extreme multiplicity environment of central Pb–Pb collisions at LHC energy. The implementation of the resulting requirements into hardware (field cage, read-out chambers, electronics), infrastructure (gas and cooling system, laser-calibration system), and software led to many technical innovations which are described along with a presentation of all the major components of the detector, as currently realized. We also report on the performance achieved after completion of the first round of stand-alone calibration runs and demonstrate results close to those specified in the TPC Technical Design Report.
The Anthonomus juniperinus group, with descriptions of two new species (Coleoptera: Curculionidae)
(2010)
The Anthonomus juniperinus (Sanborn) species group is defined and two new species, Anthonomus sanborni, new species, and A. rileyi new species, from the United States are described, keyed and illustrated. The three species of the group are associated with the plant genus Juniperus and the larvae of A. juniperinus are known to develop in fungal galls of Gymnosporangium spp. as well as fruits of the Eastern redcedar, Juniperus virginiana L. The biology of the group and its taxonomic relationships to other species of Anthonomus Germar are also discussed.
Moderately elevated levels of plasma plant sterols have been suspected to be causally involved in atherosclerosis. The aim of this study was to investigate whether plant sterols and other markers of sterol metabolism predicted all-cause and cardiovascular mortality in participants of the Ludwigshafen Risk and Cardiovascular health (LURIC) study. A total of 1,257 individuals who did not use statins and at baseline had a mean (± SD) age of 62.8 (± 11.0) years were included in the present analysis. Lathosterol, cholestanol, campesterol, and sitosterol were measured to estimate cholesterol synthesis and absorption. The mean (± SD) time of the follow-up for all-cause and cardiovascular mortality was 7.32 (± 2.3) years. All-cause (P = 0.001) and cardiovascular (P = 0.006) mortality were decreased in the highest versus the lowest lathosterol to cholesterol tertile. In contrast, subjects in the third cholestanol to cholesterol tertile had increased all-cause (P < 0.001) and cardiovascular mortality (P = 0.010) compared with individuals in the first tertile. The third campesterol to cholesterol tertile was associated with increased all-cause mortality (P = 0.025). Sitosterol to cholesterol tertiles were not significantly related to all-cause or cardiovascular mortality. The data suggest that high absorption and low synthesis of cholesterol predict increased all-cause and cardiovascular mortality in LURIC participants.
The Bafaw Language (Bantu A10) is a product of the language research programme of the Department of Linguistics of the University of Buea. It is the first serious piece of work on this highly endangered language, and aims to account generally for the data of Bafaw. The work therefore lays the foundation for more advanced work in the future. It provides a description of: the phonology, i.e. the sound system; the morphology or lexis; and the syntax of the Bafaw language. The work goes far beyond to provide a sociolinguistic survey of the Bafaw language community, and offers a discussion of functional literacy in Bafaw, the development of an orthography and the thematic glossary of the language. The book provides a useful resource for the Bafaw language development and an inspiration for further research and scholarship.