TY  - INPR
A1  - Schmitz, Barbara
T1  - ΙΟΥΔΙΘ und IUDITH: Überlegungen zum Verhätlnis der Judit-Erzählung in der LXX und der Vulgata
N2  - “Das Buch Judit ist in zwei wesentlich voneinander unterschiedenen Textformen überliefert: einerseits in der griechischen Fassung und den sich daran anschließenden alten Übersetzungen (vetus latina, syr., aeth., sah., arm.), zum anderen in der Fassung der lateinischen Vulgata und, mit dieser durchweg parallel laufend, in mittelalterlichen hebräischen Hss.” – so fasst Helmut Engel die Textsituation des Buches Judit prägnant zusammen. Damit liegen heute zwei unterschiedliche Textformen der Juditerzählung vor: Die griechische Juditerzählung in der Septuaginta und die lateinische Iuditherzählung in der Vulgata. Beide Textfassungen unterscheiden sich deutlich voneinander: Die Vulgata-Fassung ist gegenüber der LXX-Fassung um 20 Prozent kürzer; weil die Vulgata-Fassung aber auch umfangreiche Erweiterungen aufweist, teilen LXX und Vulgata nur ungefähr die Hälfte des Textbestandes. Lange ist man davon ausgegangen, dass hinter der Septuaginta- und der Vulgata-Fassung der Juditerzählung ein hebräischer “Ur”-Text gestanden habe. Diese Annahme, die die Forschung seit dem 19. Jh. prägt, gründet sich im Wesentlichen auf zwei Argumenten:
Erstens sei der griechische Text der Septuaginta so durchgehend von einem hebräischen Sprachduktus geprägt, dass man hier von einem hebräischen Originaltext, der recht wörtlich ins Griechische übertragen worden sei, ausgehen müsse.
Zweitens spreche Hieronymus (ca. 347–420) in seiner praefatio zu seiner lateinischen Übertragung von einem ihm vorliegenden “chaldäischen” Text, der ihm als Vorlage gedient habe.
Beide Argumente werden im Folgenden diskutiert: Im ersten Teil wird auf die in den letzten Jahren neu aufgerollte Frage nach der Originalsprache der LXX-Fassung der Juditerzählung eingegangen; der zweite Teil ist der Analyse der praefatio des Hieronymus gewidmet.
KW  - Judit <Buch>
KW  - Septuaginta
KW  - Vulgata
KW  - Septuagint
KW  - Vulgate
KW  - Book of Judith
Y1  - 2012
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-108938
ER  - 
TY  - INPR
A1  - Schmidt, Karin Stella
T1  - Zur Musik Mesopotamiens. Erste Ergänzung (2011)
T1  - Mesopotamian Music. First Supplement
N2  - Literaturzusammenstellung zur Musik Mesopotamiens: zu Musiktheorie, Notenschriften, Instrumentenkunde, Aufführungspraxis in Sumer, Akkad, Babylonien, Assyrien
N2  - Literature on Music from mesopotamia and related areas
KW  - Mesopotamien
KW  - Musik
KW  - Musikgeschichte
KW  - Sumer
KW  - Akkad
KW  - Hurritisch
KW  - Musikinstrumente
KW  - Notenschriften
KW  - Instrumentenkunde
KW  - Musiktheorie
KW  - Music
KW  - Mesopotamia
KW  - Sumer
KW  - Akkad
KW  - Musical Instruments
KW  - Musical Theorie
KW  - Hurrian
KW  - History of Music
Y1  - 2011
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-65169
ER  - 
TY  - INPR
A1  - Kiesler, Reinhard
T1  - Zum Stand der Forschung auf dem Gebiete der französischen Umgangssprache (1994)
N2  - Der Artikel gibt einen Überblick über die Forschungen zur französischen Umgangssprache von den Anfängen bis etwa 1992 in vier Abschnitten: 1. Die Anfänge, 2. die Sprachschichtenforschung, 3. die Beiträge von Soziolinguistik und Varietätenlinguistik und 4. die Arbeiten der "Gegenwart" um 1990. Eine Zusammenfassung und eine ausführliche Bibliographie schließen den Forschungsbericht ab. Berücksichtigt werden alle sprachlichen Ebenen von der Aussprache über den Wortschatz bis zur Grammatik. Wo es angebracht erscheint, sind Hinweise auf Arbeiten zu anderen Umgangssprachen angeführt.
KW  - Französisch
KW  - Umgangssprache
KW  - Variationslinguistik
KW  - Soziolinguistik
KW  - Stilistik
KW  - Aussprache
KW  - Wortschatz
KW  - Grammatik
Y1  - 1994
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-103365
ER  - 
TY  - INPR
A1  - Dandekar, Thomas
T1  - Why are nature´s constants so fine-tuned? The case for an escalating complex universe
N2  - Why is our universe so fine-tuned? In this preprint we discuss that this is not a strange accident but that fine-tuned universes can be considered to be exceedingly large if one counts the number of observable different states (i.e. one aspect of the more general preprint http://www.opus-bayern.de/uni-wuerzburg/volltexte/2009/3353/). Looking at parameter variation for the same set of physical laws simple and complex processes (including life) and worlds in a multiverse are compared in simple examples. Next the anthropocentric principle is extended as many conditions which are generally interpreted anthropocentric only ensure a large space of different system states. In particular, the observed over-tuning beyond the level for our existence is explainable by these system considerations. More formally, the state space for different systems becomes measurable and comparable looking at their output behaviour. We show that highly interacting processes are more complex then Chaitin complexity, the latter denotes processes not compressible by shorter descriptions (Kolomogorov complexity). The complexity considerations help to better study and compare different processes (programs, living cells, environments and worlds) including dynamic behaviour and can be used for model selection in theoretical physics. Moreover, the large size (in terms of different states) of a world allowing complex processes including life can in a model calculation be determined applying discrete histories from quantum spin-loop theory. Nevertheless there remains a lot to be done - hopefully the preprint stimulates further efforts in this area.
N2  - Dieses Preprint vertieft einen Aspekt des preprints http://www.opus-bayern.de/uni-wuerzburg/volltexte/2009/3353/, nämlich die Balance zwischen den Konstanten für unsere Naturgesetze. Die Frage nach einer solchen Balance entsteht nur, wenn man sich ein Multiversum mit vielen Alternativen Universen mit anderen Gewichten für die Naturkonstanten vorstellt und dann feststellt, dass diese gerade in unserem Universum optimal für Leben und überhaupt für komplexe, selbst organisierende Strukturen eingestellt sind (sogenanntes fine-tuning). Dies wird häufig mit dem anthropozentrischen Prinzip erklärt. Dies erklärt aber beispielsweise nicht, warum denn dieses fine-tuning noch deutlich feiner und genauer eingestellt ist, als für die Existenz eines Beobachters nötig ist. Wir zeigen dagegen, dass unser Universum besonders komplex ist und einen sehr großen Zustandsraum hat und Bedingungen, die eine hohe Komplexität erlauben, auch einen Beobachter und komplexe Prozesse wie Leben ermöglichen. Allgemein nimmt ein besonders komplexer Zustandsraum den Löwenanteil aller Alternativen ein. Unsere Komplexitätsbetrachtung kann auf verschiedenste Prozesse (Welten, Umwelten, lebende Zellen, Computerprogramme) angewandt werden, hilft bei der Modellauswahl in der theoretischen Physik (Beispiele werden gezeigt) und kann auch direkt ausgerechnet werden, dies wird für eine Modellrechnung zur Quantenschleifentheorie durchgeführt. Dennoch bleibt hier noch viel weitere Arbeit zu leisten, das Preprint kann hier nur einen Anstoß liefern.
KW  - Natur
KW  - Naturgesetz
KW  - Beobachter
KW  - Kolmogorov-Komplexität
KW  - Berechnungskomplexität
KW  - Fundamentalkonstante
KW  - Nature constants
KW  - complexity
KW  - observer
KW  - fine-tuning
KW  - multiverse
Y1  - 2008
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-34488
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Using Machine Learning Algorithms for Categorizing Quranic Chaptersby Major Phases of Prophet Mohammad’s Messengership
N2  - This paper discusses the categorization of Quranic chapters by major phases of Prophet Mohammad’s messengership using machine learning algorithms. First, the chapters were categorized by places of revelation using Support Vector Machine and naïve Bayesian classifiers separately, and their results were compared to each other, as well as to the existing traditional Islamic and western orientalists classifications. The chapters were categorized into Meccan (revealed in Mecca) and Medinan (revealed in Medina). After that, chapters of each category were clustered using a kind of fuzzy-single linkage clustering approach, in order to correspond to the major phases of Prophet Mohammad’s life. The major phases of the Prophet’s life were manually derived from the Quranic text, as well as from the secondary Islamic literature e.g hadiths, exegesis. Previous studies on computing the places of revelation of Quranic chapters relied heavily on features extracted from existing background knowledge of the chapters. For instance, it is known that Meccan chapters contain mostly verses about faith and related problems, while Medinan ones encompass verses dealing with social issues, battles…etc. These features are by themselves insufficient as a basis for assigning the chapters to their respective places of revelation. In fact, there are exceptions, since some chapters do contain both Meccan and Medinan features. In this study, features of each category were automatically created from very few chapters, whose places of revelation have been determined through identification of historical facts and events such as battles, migration to Medina…etc. Chapters having unanimously agreed places of revelation were used as the initial training set, while the remaining chapters formed the testing set. The classification process was made recursive by regularly augmenting the training set with correctly classified chapters, in order to classify the whole testing set. Each chapter was preprocessed by removing unimportant words, stemming, and representation with vector space model. The result of this study shows that, the two classifiers have produced useable results, with an outperformance of the support vector machine classifier. This study indicates that, the proposed methodology yields encouraging results for arranging Quranic chapters by phases of Prophet Mohammad’s messengership.
KW  - Koran
KW  - Maschinelles Lernen
KW  - Text categorization
KW  - Clustering
KW  - Support Vector Machine
KW  - Naïve Bayesian
KW  - Place of revelation
KW  - Stages of Prophet Mohammad’s messengership
KW  - Quran
Y1  - 2011
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-66862
ER  - 
TY  - INPR
A1  - Stennett, Tom
A1  - Mattock, James
A1  - Vollert, Ivonne
A1  - Vargas, Alfredo
A1  - Braunschweig, Holger
T1  - Unsymmetrical, Cyclic Diborenes and Thermal Rearrangement to a Borylborylene
T2  - Angewandte Chemie, International Edition
N2  - Cyclic diboranes(4) based on a chelating monoanionic, benzylphosphine linker were prepared by boron-silicon exchange between arylsilanes and B\(_2\)Br\(_4\). Coordination of Lewis bases to the remaining sp\(^2\) boron atom yielded unsymmetrical sp\(^3\)-sp\(^3\) diboranes, which were reduced with KC\(_8\) to their corresponding trans-diborenes. These compounds were studied by a combination of spectroscopic methods, X-ray diffraction and DFT calculations. PMe\(_3\)-stabilized diborene 6 was found to undergo thermal rearrangement to gem- diborene 8. DFT calculations on 8 reveal a polar boron-boron bond, and indicate that the compound is best described as a borylborylene.
KW  - boron
KW  - borylene
KW  - multiple bonds
KW  - rearrangement
KW  - DFT calculations
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-160258
N1  - This is the pre-peer reviewed version of the following article: T. E. Stennett, J. D. Mattock, I. Vollert, A. Vargas, H. Braunschweig, Angew. Chem. Int. Ed. 2018, 57, 4098., which has been published in final form at DOI: 10.1002/anie.201800671. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
VL  - 57
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Understanding the Vex Rendering Engine
N2  - The Visual Editor for XML (Vex)[1] used by TextGrid [2]and other applications has got rendering and layout engines. The layout engine is well documented but the rendering engine is not. This lack of documenting the rendering engine has made refactoring and extending the editor hard and tedious. For instance many CSS2.1 and upcoming CSS3 properties have not been implemented. Software developers in different projects such as TextGrid using Vex would like to update its CSS rendering engine in order to provide advanced user interfaces as well as support different document types. In order to minimize the effort of extending Vex functionality, I found it beneficial to write a basic documentation about Vex software architecture in general and its CSS rendering engine in particular. The documentation is mainly based on the idea of architectural layered diagrams. In fact layered diagrams can help developers understand software’s source code faster and easier in order to alter it, and fix errors. This paper is written for the purpose of providing direct support for exploration in the comprehension process of Vex source code. It discusses Vex software architecture. The organization of packages that make up the software, the architecture of its CSS rendering engine, an algorithm explaining the working principle of its rendering engine are described.
KW  - Cascading Style Sheets
KW  - Softwarearchitektur
KW  - CSS
KW  - Processing model
KW  - Software architecture
KW  - Software design
Y1  - 2010
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-51333
ER  - 
TY  - INPR
A1  - Petersen, Jens
A1  - Lindner, Joachim O.
A1  - Mitric, Roland
T1  - Ultrafast Photodynamics of Glucose
T2  - Journal of Physical Chemistry B
N2  - We have investigated the photodynamics of \(\beta\)-D-glucose employing our field-induced surface hopping method (FISH), which allows us to simulate the coupled electron-nuclear dynamics, including explicitly nonadiabatic effects and light-induced excitation. Our results reveal that from the initially populated S\(_{1}\) and S\(_{2}\) states, glucose returns nonradiatively to the ground state within about 200 fs. This takes place mainly via conical intersections (CIs) whose geometries
in most cases involve the elongation of a single O-H bond, while in some instances ring-opening due to dissociation of a C-O bond is observed. Experimentally, excitation to a distinct excited electronic state is improbable due to the presence of a dense manifold of states bearing similar oscillator strengths. Our FISH simulations explicitly including a UV laser pulse of 6.43 eV photon energy reveals that after initial excitation the population is almost equally spread over several close-lying electronic states. This is followed by a fast nonradiative decay on the time scale of 100-200 fs, with the final return to the ground state proceeding via the S\(_{1}\) state through the same types of CIs as observed in the field-free simulations.
KW  - photodynamics
KW  - nonadiabatic dynamics
KW  - conical intersections
KW  - carbohydrates
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-159155
N1  - This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of Physical Chemistry, copyright © American Chemical Society after peer review. To access the final edited and published work see doi:10.1021/acs.jpcb.7b08602
ER  - 
TY  - INPR
A1  - Schmidt, Uwe
A1  - Fantuzzi, Felipe
A1  - Arrowsmith, Merle
A1  - Hermann, Alexander
A1  - Prieschl, Dominic
A1  - Rempel, Anna
A1  - Engels, Bernd
A1  - Braunschweig, Holger
T1  - Tuneable reduction of cymantrenylboranes to diborenes or borylene-derived boratafulvenes
T2  - Chemical Communications
N2  - Whereas the reduction of N-heterocyclic carbene (NHC)-stabilised cymantrenyldibromoboranes, (NHC)BBr\(_2\)Cym, in benzene results in formation of the corresponding diborenes (NHC)\(_2\)B\(_2\)Cym\(_2\), a change of solvent to THF yields a borylene of the form (NHC)\(_2\)BCym, stabilised through its boratafulvene resonance form.
KW  - Borylene
KW  - Diborene
KW  - Boranes
Y1  - 2020
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-222149
ER  - 
TY  - INPR
A1  - Hermann, Alexander
A1  - Arrowsmith, Merle
A1  - Trujillo-Gonzalez, Daniel
A1  - Jiménez-Halla, J. Oscar C.
A1  - Vargas, Alfredo
A1  - Braunschweig, Holger
T1  - Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene
T2  - Journal of the American Chemical Society
N2  - The reductive coupling of an NHC-stabilized aryldibromoborane yields a mixture of trans- and cis-diborenes in which the aryl groups are coplanar with the diborene core. Under dilute reduction conditions two diastereomers of a borirane-borane intermediate are isolated, which upon further reduction give rise to the aforementioned diborene mixture. DFT calculations suggest a mechanism proceeding via nucleophilic attack of a dicoordinate borylene intermediate on the aryl ring and subsequent intramolecular B-B bond formation.
KW  - boron
KW  - reactive intermediates
KW  - reductive coupling
Y1  - 2020
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-203140
N1  - This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of the American Chemical Society, copyright © American Chemical Society after peer review. To access the final edited and published work see https://doi.org/10.1021/jacs.0c02306
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Towards a Knowledge-Based Learning System for The Quranic Text
N2  - In this research, an attempt to create a knowledge-based learning system for the Quranic text has been performed. The knowledge base is made up of the Quranic text along with detailed information about each chapter and verse, and some rules. The system offers the possibility to study the Quran through web-based interfaces, implementing novel visualization techniques for browsing, querying, consulting, and testing the acquired knowledge. Additionally the system possesses knowledge acquisition facilities for maintaining the knowledge base.
KW  - Wissensbanksystem
KW  - Wissensmanagement
KW  - Text Mining
KW  - Visualisierung
KW  - Koran
KW  - Knowledge-based System
KW  - Knowledge Management System
KW  - Text Mining
KW  - Visualization
KW  - Quran
Y1  - 2012
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-70003
ER  - 
TY  - INPR
A1  - Reiss, Harald
T1  - Time scales and existence of time holes in non-transparent media
N2  - The analysis presented in this paper applies to experimental situations where observers or objects to be studied, all at stationary positions, are located in environments the optical thickness of which is strongly different. Non-transparent media comprise thin metallic films, packed or fluidised beds, superconductors, the Earth’s crust, and even dark clouds and other cosmological objects. The analysis applies mapping functions that correlate physical events, e, in non-transparent media, with their images, f(e), tentatively located on standard physical time scale. The analysis demonstrates, however, that physical time, in its rigorous sense, does not exist under non-transparency conditions. A proof of this conclusion is attempted in three steps: i) the theorem “there is no time without space and events” is accepted, (ii) images f[e(s,t)] do not constitute a dense, uncountably infinite set, and (iii) sets of images that are not uncountably infinite do not create physical time but only time-like sequences. As a consequence, mapping f[e(s,t)] in non-transparent space does not create physical analogues to the mathematical structure of the ordered, dense half-set R+ of real numbers, and reverse mapping, f-1f[e(s,t)], the mathematical inverse problem, would not allow unique identification and reconstruction of original events from their images. In these cases, causality as well as invariance of physical processes under time reversal, might be violated. An interesting problem is whether temporal cloaking (a time hole) in a transparent medium, as very recently reported in the literature, can be explained by the present analysis. Existence of time holes could perhaps be possible, not in transparent but in non-transparent media, as follows from the sequence of images, f[e(s,t)], that is not uncountably infinite, in contrast to R+. Impacts are expected for understanding physical diffusion-like, radiative transfer processes and stability models to protect superconductors against quenchs. There might be impacts also in relativity, quantum mechanics, nuclear decay, or in systems close to their phase transitions. The analysis is not restricted to objects of laboratory dimensions.
KW  - Zeitrichtung
KW  - Strahlungstransport
KW  - Supraleiter
KW  - Nicht-Transparente Medien
KW  - Physikalische Zeit
KW  - Inverse Probleme
KW  - Time hole
KW  - mapping function
KW  - Monte Carlo simulation
Y1  - 2012
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-73554
N1  - Überarbeitung des Artikels urn:nbn:de:bvb:20-opus-67268
ER  - 
TY  - INPR
A1  - Hoche, Joscha
A1  - Schmitt, Hans-Christian
A1  - Humeniuk, Alexander
A1  - Fischer, Ingo
A1  - Mitrić, Roland
A1  - Röhr, Merle I. S.
T1  - The mechanism of excimer formation: an experimental and theoretical study on the pyrene dimer
T2  - Physical Chemistry Chemical Physics
N2  - The understanding of excimer formation in organic materials is of fundamental importance, since excimers profoundly influence their functional performance in applications such as light-harvesting, photovoltaics or organic electronics. We present a joint experimental and theoretical study of the ultrafast dynamics of excimer formation in the pyrene dimer in a supersonic jet, which is the archetype of an excimer forming system. We perform simulations of the nonadiabatic photodynamics in the frame of TDDFT that reveal two distinct excimer formation pathways in the gas-phase dimer. The first pathway involves local excited state relaxation close to the initial Franck–Condon geometry that is characterized by a strong excitation of the stacking coordinate exhibiting damped oscillations with a period of 350 fs that persist for several picoseconds. The second excimer forming pathway involves large amplitude oscillations along the parallel shift coordinate with a period of ≈900 fs that after intramolecular vibrational energy redistribution leads to the formation of a perfectly stacked dimer. The electronic relaxation within the excitonic manifold is mediated by the presence of intermolecular conical intersections formed between fully delocalized excitonic states. Such conical intersections may generally arise in stacked π-conjugated aggregates due to the interplay between the long-range and short-range electronic coupling. The simulations are supported by picosecond photoionization experiments in a supersonic jet that provide a time-constant for the excimer formation of around 6–7 ps, in good agreement with theory. Finally, in order to explore how the crystal environment influences the excimer formation dynamics we perform large scale QM/MM nonadiabatic dynamics simulations on a pyrene crystal in the framework of the long-range corrected tight-binding TDDFT. In contrast to the isolated dimer, the excimer formation in the crystal follows a single reaction pathway in which the initially excited parallel slip motion is strongly damped by the interaction with the surrounding molecules leading to the slow excimer stabilization on a picosecond time scale.
KW  - exciton dynamics
KW  - pyrene dimer
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-159656
UR  - http://dx.doi.org/10.1039/C7CP03990E
N1  - Submitted version
ER  - 
TY  - INPR
A1  - Händel, Barbara
A1  - Schölvinck, Marieke
T1  - The brain during free movement – what can we learn from the animal model
T2  - Brain Research
N2  - Animals, just like humans, can freely move. They do so for various important reasons, such as finding food and escaping predators. Observing these behaviors can inform us about the underlying cognitive processes. In addition, while humans can convey complicated information easily through speaking, animals need to move their bodies to communicate. This has prompted many creative solutions by animal neuroscientists to enable studying the brain during movement. In this review, we first summarize how animal researchers record from the brain while an animal is moving, by describing the most common neural recording techniques in animals and how they were adapted to record during movement. We further discuss the challenge of controlling or monitoring sensory input during free movement. 
However, not only is free movement a necessity to reflect the outcome of certain  internal cognitive processes in animals, it is also a fascinating field of research since certain crucial behavioral patterns can only be observed and studied during free movement. Therefore, in a second part of the review, we focus on some key findings in animal research that specifically address the interaction between free movement and brain activity. First, focusing on walking as a fundamental form of free movement, we discuss how important such intentional movements are for understanding processes as diverse as spatial navigation, active sensing, and complex motor planning. Second, we propose the idea of regarding free movement as the expression of a behavioral state. This view can help to understand the general influence of movement on brain function.
Together, the technological advancements towards recording from the brain during movement, and the scientific questions asked about the brain engaged in movement, make animal research highly valuable to research into the human “moving brain”.
KW  - free movement
KW  - animal research
KW  - virtual reality
KW  - recording methods
KW  - brain activity
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-251406
ET  - accepted manuscript
ER  - 
TY  - INPR
A1  - Cid, Jessica
A1  - Hermann, Alexander
A1  - Radcliffe, James E.
A1  - Curless, Liam D.
A1  - Braunschweig, Holger
A1  - Ingleson, Michael J.
T1  - Synthesis of Unsymmetrical Diboron(5) Compounds and Their Conversion to Diboron(5) Cations
T2  - Organometallics
N2  - Reaction of bis-catecholatodiboron-NHC adducts, B\(_2\)Cat\(_2\)(NHC), (NHC = IMe (tetramethylimidazol-2-ylidene), IMes (1,3-dimesitylimidazol-2-ylidene) or IDIPP (1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)) with BCl3 results in the replacement of the catecholato group bound to the four coordinate boron with two chlorides to yield diboron(5) Lewis acid-base adducts of formula CatB-BCl\(_2\)(NHC). These compounds are precursors to diboron(5) monocations, accessed by adding AlCl\(_3\) or K[B(C\(_6\)F\(_5\))\(_4\)] as halide abstraction agents in the presence of a Lewis base. The substitution of the chlorides of CatB-BCl\(_2\)(NHC) for hydrides is achieved using Bu\(_3\)SnH and a halide abstracting agent to form 1,1-dihydrodiboron(5) compounds, CatB-BH\(_2\)(NHC). Attempts to generate diboron(4) monocations of formula [CatB-B(Y)(NHC)]\(^+\) (Y = Cl or H) led to the rapid formation of CatBY.
KW  - diboron
KW  - boronium cations
KW  - boron
KW  - Lewis acids
KW  - electrophiles
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-164299
N1  - This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Organometallics, copyright © 2018 American Chemical Society after peer review. To access the final edited and published work see dx.doi.org/10.1021/acs.organomet.8b00288
ER  - 
TY  - INPR
A1  - Brückner, Tobias
A1  - Arrowsmith, Merle
A1  - Heß, Merlin
A1  - Hammond, Kai
A1  - Müller, Marcel
A1  - Braunschweig, Holger
T1  - Synthesis of fused B,N-heterocycles by alkyne cleavage, NHC ring-expansion and C-H activation at a diboryne
T2  - Chemical Communications
N2  - The addition of alkynes to a staturated N-heterocyclic carbene (NHC)-supported diboryne results in spontaneous cycloaddition, with complete B≡B and C≡C triple bond cleavage, NHC ring- expansion and activation of a variety of C-H bonds, leading to the formation of complex mixtures of fused B,N-heterocycles.
KW  - heterocycles
KW  - alkynes
KW  - boron
KW  - carbenes
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-184899
N1  - This is the pre-peer reviewed version of the following article: Chem. Commun., 2019,55, 6700-6703, which has been published in final form at doi:10.1039/C9CC02657F
ER  - 
TY  - INPR
A1  - Scheitl, Carolin P. M.
A1  - Mieczkowski, Mateusz
A1  - Schindelin, Hermann
A1  - Höbartner, Claudia
T1  - Structure and mechanism of the methyltransferase ribozyme MTR1
T2  - Nature Chemical Biology
N2  - RNA-catalysed RNA methylation was recently shown to be part of the catalytic repertoire of ribozymes. The methyltransferase ribozyme MTR1 catalyses the site-specific synthesis of 1-methyladenosine (m\(^1\)A) in RNA, using O\(^6\)-methylguanine (m\(^6\)G) as methyl group donor. Here we report the crystal structure of MTR1 at a resolution of 2.8 Å, which reveals a guanine binding site reminiscent of natural guanine riboswitches. The structure represents the postcatalytic state of a split ribozyme in complex with the m1A-containing RNA product and the demethylated cofactor guanine. The structural data suggest the mechanistic involvement of a protonated cytidine in the methyl transfer reaction. A synergistic effect of two 2'-O-methylated ribose residues in the active site results in accelerated methyl group transfer. Supported by these results, it seems plausible that modified nucleotides may have enhanced early RNA catalysis and that metabolite-binding riboswitches may resemble inactivated ribozymes that have lost their catalytic activity during evolution.
KW  - Methyltransferase Ribozyme MTR1
KW  - Crystal structure of MTR1
KW  - RNA-catalyzed RNA methylation
KW  - X-ray crystallography
KW  - RNA
Y1  - 2022
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-272170
ET  - submitted version
ER  - 
TY  - INPR
A1  - Volkmann, Armin
T1  - Stempelverzierte Keramikfunde der Völkerwanderungszeit im Barbaricum – Neue Funde vom frühmittelalterlichen Burgwall bei Kopchin (Lkr. Bautzen)
T1  - Stamp decorated pottery from the migration period in the Barbaricum – New finds from the early medieval hill fort of Kopchin in Upper Lusatia (East Germany)
N2  - Durch die systematische Sichtung des Fundmaterials des frühmittelalterlichen Burgwalls von Kopchin in der Oberlausitz konnten einige Keramikscherben identifiziert werden, die wohl älter als bisher angenommen sind und in die Völkerwanderungszeit datieren. Dies ist von besonderer Relevanz, da für Nordostdeutschland traditionell eine Besiedlungslücke im 5.–7. Jh. AD postuliert wird. Dieser Hiatus ist offenbar teils auch der schwierigen sicheren Datierung der oft recht unspezifischen Keramiktypen geschuldet. So konnten mit wachsendem Kenntnisstand dieser Keramiken in den letzten Jahren auch einige völkerwanderungszeitliche Fundstellen, besonders in Nordbrandenburg und im deutsch-polnischen Pommern lokalisiert werden. In Nordost-Sachsen sind die vorgestellten singulären Funde des 5.–6. Jhs. AD jedoch bisher ohne sichere Parallelen, auch wenn mittlerweile einige Fundstellen der Völkerwanderungszeit in der Region erkannt worden sind.
N2  - Through the systematic review of the finds of the early medieval slavic hill fort of Kopchin in Upper Lusatia, some pottery fragments were identified that are probably older than previously believed: They are dated to the migration period. This is of particular relevance. Traditionally, a gap in settlement in northeastern Germany of the 5.–7. centuries AD is postulated. This hiatus is apparently due partly to the rather difficult secure dating of the often non-specific ceramic types of this period. With increasing knowledge of these ceramics over the last years, new finding sites of the migration period were localized especially in northern Brandenburg and the German-Polish Pomerania. In northeast Saxony, the presented pottery fragments are still singular discoveries of the 5.–7. centuries AD without parallels in this region.
KW  - Germanen
KW  - Spätantike
KW  - Vor- und Frühgeschichte
KW  - Frühmittelalter
KW  - Barbaricum
KW  - Burgwall
KW  - slawisch
KW  - Archäologie
KW  - Völkerwanderungszeit
KW  - Stempelkeramik
KW  - Late Antiquity
KW  - early medieva
KW  - l slavic hill fort
KW  - Migration Period
Y1  - 2012
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-74432
ER  - 
TY  - INPR
A1  - Englert, Lukas
A1  - Stoy, Andreas
A1  - Arrowsmith, Merle
A1  - Müssig, Jonas H.
A1  - Thaler, Melanie
A1  - Deißenberger, Andrea
A1  - Häfner, Alena
A1  - Böhnke, Julian
A1  - Hupp, Florian
A1  - Seufert, Jens
A1  - Mies, Jan
A1  - Damme, Alexander
A1  - Dellermann, Theresa
A1  - Hammond, Kai
A1  - Kupfer, Thomas
A1  - Radacki, Krzysztof
A1  - Thiess, Torsten
A1  - Braunschweig, Holger
T1  - Stable Lewis Base Adducts of Tetrahalodiboranes: Synthetic Methods and Structural Diversity
T2  - Chemistry - A European Journal
N2  - A series of 22 new bis(phosphine), bis(carbene) and bis(isonitrile) tetrahalodiborane adducts has been synthesized, either by direct adduct formation with highly sensitive B2X4 precursors (X = Cl, Br, I) or by ligand exchange at stable B2X4(SMe2)2 precursors (X = Cl, Br) with labile dimethylsulfide ligands. The isolated compounds have been fully characterized using NMR spectroscopic, (C,H,N)- elemental and, for 20 of these compounds, X-ray crystallographic analysis, revealing an unexpected variation in the bonding motifs. Besides the classical B2X4L2 diborane(6) adducts, some of the more sterically demanding carbene ligands induce a halide displacement leading to the first halide-bridged monocationic diboron species, [B2X3L2]A (A = BCl4, Br, I). Furthermore, low-temperature 1:1 reactions of B2Cl4 with sterically demanding N-heterocyclic carbenes led to the formation of kinetically unstable mono-adducts, one of which was structurally characterized. A comparison of the NMR and structural data of new and literature-known bis-adducts shows several trends pertaining to the nature of the halides and the stereoelectronic properties of the Lewis bases employed.
KW  - diborane(6)
KW  - Lewis-base adducts
KW  - ligand exchange
KW  - crystallography
KW  - NMR spectroscopy
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-184888
N1  - This is the pre-peer reviewed version of the following article: L. Englert, A. Stoy, M. Arrowsmith, J. H. Muessig, M. Thaler, A. Deißenberger, A. Häfner, J. Böhnke, F. Hupp, J. Seufert, J. Mies, A. Damme, T. Dellermann, K. Hammond, T. Kupfer, K. Radacki, T. Thiess, H. Braunschweig, Chem. Eur. J. 2019, 25, 8612. https://doi.org/10.1002/chem.201901437, which has been published in final form at https://doi.org/10.1002/chem.201901437. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
ER  - 
TY  - INPR
A1  - Arrowsmith, Merle
A1  - Dömling, Michael
A1  - Schmidt, Uwe
A1  - Werner, Luis
A1  - Castro, Abril C.
A1  - Jiménez-Halla, J. Oscar C.
A1  - Müssig, Jonas
A1  - Prieschl, Dominic
A1  - Braunschweig, Holger
T1  - Spontaneous trans‐Selective Transfer Hydrogenation of Apolar B=B Double Bonds
T2  - Angewandte Chemie, International Edition
N2  - The transfer hydrogenation of NHC-supported diborenes with dimethylamine borane proceeds with high selectivity for the trans-1,2-dihydrodiboranes(6). DFT calculations suggest a stepwise proton-first-hydride-second reaction mechanism via an intermediate μ-hydrodiboronium dimethylaminoborate ion pair.
KW  - transfer hydrogenation
KW  - diborene
KW  - amine borane dehydrocoupling
KW  - diboranes
KW  - DFT mechanism
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-184874
N1  - This is the pre-peer reviewed version of the following article: M. Dömling, M. Arrowsmith, U. Schmidt, L. Werner, A. C. Castro, J. O. C. Jiménez-Halla, R. Bertermann, J. Müssig, D. Prieschl, H. Braunschweig, Angew. Chem. Int. Ed. 2019, 58, 9782. doi:10.1002/anie.201902656, which has been published in final form at  https://doi.org/10.1002/anie.201902656. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
ER  - 
TY  - INPR
A1  - Huber, Bernhard
A1  - Pres, Sebastian
A1  - Wittmann, Emanuel
A1  - Dietrich, Lysanne
A1  - Lüttig, Julian
A1  - Fersch, Daniel
A1  - Krauss, Enno
A1  - Friedrich, Daniel
A1  - Kern, Johannes
A1  - Lisinetskii, Victor
A1  - Hensen, Matthias
A1  - Hecht, Bert
A1  - Bratschitsch, Rudolf
A1  - Riedle, Eberhard
A1  - Brixner, Tobias
T1  - Space- and time-resolved UV-to-NIR surface spectroscopy and 2D nanoscopy at 1 MHz repetition rate
N2  - We describe a setup for time-resolved photoemission electron microscopy (TRPEEM) with aberration correction enabling 3 nm spatial resolution and sub-20 fs temporal resolution. The latter is realized by our development of a widely tunable (215–970 nm) noncollinear optical parametric amplifier (NOPA) at 1 MHz repetition rate. We discuss several exemplary applications. Efficient photoemission from plasmonic Au nanoresonators is investigated with phase-coherent pulse pairs from an actively stabilized interferometer. More complex excitation fields are created with a liquid-crystal-based pulse shaper enabling amplitude and phase shaping of NOPA pulses with spectral components from 600 to 800 nm. With this system we demonstrate spectroscopy within a single plasmonic nanoslit resonator by spectral amplitude shaping and investigate the local field dynamics with coherent two-dimensional (2D) spectroscopy at the nanometer length scale (“2D nanoscopy”). We show that the local response varies across a distance as small as 33 nm in our sample. Further, we report two-color pump–probe experiments using two independent NOPA beamlines. We extract local variations of the excited-state dynamics of a monolayered 2D material (WSe2) that we correlate with low-energy electron microscopy (LEEM) and reflectivity (LEER) measurements. Finally, we demonstrate the in-situ sample preparation capabilities for organic thin films and their characterization via spatially resolved electron diffraction and dark-field LEEM.
KW  - Photoemission electron microscopy PEEM
KW  - Low energy electron microscopy LEEM
KW  - Spatially resolved 2D spectroscopy
KW  - Two-color pump-probe spectroscopy
KW  - Time-resolved photoemission electron microscopy
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-191906
SN  - 0034-6748
N1  - This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in Review of Scientific Instruments 90, 113103 (2019); https://doi.org/10.1063/1.5115322 and may be found at https://doi.org/10.1063/1.5115322.
ER  - 
TY  - INPR
A1  - Dandekar, Thomas
T1  - Some general system properties of a living observer and the environment he explores
N2  - In a nice assay published in Nature in 1993 the physicist Richard God III started from a human observer and made a number of witty conclusions about our future prospects giving estimates for the existence of the Berlin Wall, the human race and all the rest of the universe. In the same spirit, we derive implications for "the meaning of life, the universe and all the rest" from few principles. Adams´ absurd answer "42" tells the lesson "garbage in / garbage out" - or suggests that the question is non calculable. We show that experience of "meaning" and to decide fundamental questions which can not be decided by formal systems imply central properties of life: Ever higher levels of internal representation of the world and an escalating tendency to become more complex. An observer, "collecting observations" and three measures for complexity are examined. A theory on living systems is derived focussing on their internal representation of information. Living systems are more complex than Kolmogorov complexity ("life is NOT simple") and overcome decision limits (Gödel theorem) for formal systems as illustrated for cell cycle. Only a world with very fine tuned environments allows life. Such a world is itself rather complex and hence excessive large in its space of different states – a living observer has thus a high probability to reside in a complex and fine tuned universe.
N2  - Dieser Aufsatz ist ein Preprint und Discussion Paper und versucht - ähnlich wie ein hervorragendes Beispiel eines Physikers, Richard God III (1993 in Nature veröffentlicht) mit einfachen Grundannahmen sehr generelle Prinzipien für uns abzuleiten. In meinem Aufsatz sind das insbesondere Prinzipien für Beobachten, für die Existenz eines Beobachters und sogar für die Existenz unserer komplexen Welt, die Fortentwicklung von Leben, die Entstehung von Bedeutung und das menschliche Entscheiden von Grundlagenfragen. Aufs erste kann so ein weitgehendes Anliegen nicht wirklich vollständig und akkurat gelingen, der Aufsatz möchte deshalb auch nur eine amüsante Spekulation sein, exakte (und bescheidenere) Teilaussagen werden aber später dann auch nach peer Review veröffentlicht werden.
KW  - Komplex <Algebra>
KW  - Entscheidung
KW  - Natürliche Auslese
KW  - Evolution
KW  - Bedeutung
KW  - Komplexität
KW  - Gödel
KW  - Entscheidungen
KW  - complexity
KW  - decision
KW  - evolution
KW  - selection
KW  - meaning
Y1  - 2007
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-33537
ER  - 
TY  - INPR
A1  - Scheitl, Carolin P.M.
A1  - Ghaem Maghami, Mohammad
A1  - Lenz, Ann-Kathrin
A1  - Höbartner, Claudia
T1  - Site-specific RNA methylation by a methyltransferase ribozyme
T2  - Nature
N2  - Nearly all classes of coding and non-coding RNA undergo post-transcriptional modification including RNA methylation. Methylated nucleotides belong to the evolutionarily most conserved features of tRNA and rRNA.1,2 Many contemporary methyltransferases use the universal cofactor S-adenosylmethionine (SAM) as methyl group donor. This and other nucleotide-derived cofactors are considered as evolutionary leftovers from an RNA World, in which ribozymes may have catalysed essential metabolic reactions beyond self-replication.3 Chemically diverse ribozymes seem to have been lost in Nature, but may be reconstructed in the laboratory by in vitro selection. Here, we report a methyltransferase ribozyme that catalyses the site-specific installation of 1-methyladenosine (m1A) in a substrate RNA, utilizing O6-methylguanine (m6G) as a small-molecule cofactor. The ribozyme shows a broad RNA sequence scope, as exemplified by site-specific adenosine methylation in tRNAs. This finding provides fundamental insights into RNA’s catalytic abilities, serves a synthetic tool to install m1A in RNA, and may pave the way to in vitro evolution of other methyltransferase and demethylase ribozymes.
KW  - Methyltransferase Ribozyme
KW  - RNA Enzymes
KW  - position-specific installation of m1A in RNA
Y1  - 2020
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-218687
ER  - 
TY  - INPR
A1  - Fersch, Daniel
A1  - Malý, Pavel
A1  - Rühe, Jessica
A1  - Lisinetskii, Victor
A1  - Hensen, Matthias
A1  - Würthner, Frank
A1  - Brixner, Tobias
T1  - Single-Molecule Ultrafast Fluorescence-Detected Pump–Probe Microscopy
N2  - We introduce fluorescence-detected pump–probe microscopy by combining a wavelength-tunable ultrafast laser with a confocal scanning fluorescence microscope, enabling access to the femtosecond time scale on the micrometer spatial scale. In addition, we obtain spectral information from Fourier transformation over excitation pulse-pair time delays. We demonstrate this new approach on a model system of a terrylene bisimide (TBI) dye embedded in a PMMA matrix and acquire the linear excitation spectrum as well as time-dependent pump–probe spectra simultaneously. We then push the technique towards single TBI molecules and analyze the statistical distribution of their excitation spectra. Furthermore, we demonstrate the ultrafast transient evolution of several individual molecules, highlighting their different behavior in contrast to the ensemble due to their individual local environment. By correlating the linear and nonlinear spectra, we assess the effect of the molecular environment on the excited-state energy.
KW  - Fluoreszenz
KW  - Ultrafast spectroscopy
KW  - Single-molecule microscopy
Y1  - 2023
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-313485
ER  - 
TY  - INPR
A1  - Brückner, Tobias
A1  - Stennett, Tom E.
A1  - Heß, Merlin
A1  - Braunschweig, Holger
T1  - Single and Double Hydroboration of B-B Triple Bonds and Conver- gent Routes to a Cationic Tetraborane
T2  - Journal of the American Chemical Society
N2  - A compound with a boron-boron triple bond is shown to undergo stepwise hydroboration reactions with catecholborane to yield an unsymmetrical hydro(boryl)diborene and a 2,3-dihydrotetraborane. Abstraction of H– from the latter compound produces an unusual cationic, planar tetraborane with a hydrogen atom bridging the central B2 moiety. Spectroscopic and crystallographic data and DFT calculations support a ‘protonated diborene’ structure for this compound, which can also be accessed via direct protonation of the corresponding diborene.
KW  - boron
KW  - multiple bonding
KW  - hydroboration
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-188632
N1  - This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of the American Chemical Society, copyright © American Chemical Society after peer review. To access the final edited and published work see https://doi.org/10.1021/jacs.9b07991.
ER  - 
TY  - INPR
A1  - Arrowsmith, Merle
A1  - Böhnke, Julian
A1  - Braunschweig, Holger
A1  - Deißenberger, Andrea
A1  - Dewhurst, Rian
A1  - Ewing, William
A1  - Hörl, Christian
A1  - Mies, Jan
A1  - Muessig, Jonas
T1  - Simple Solution-Phase Syntheses of Tetrahalodiboranes(4) and their Labile Dimethylsulfide Adducts
T2  - Chemical Communications
N2  - Convenient, solution-phase syntheses of tetrahalodiboranes(4) B\(_2\)F\(_4\), B\(_2\)Cl\(_4\) and B\(_2\)I\(_4\) are presented herein from common precursor B\(_2\)Br\(_4\). In addition, the dimethylsulfide adducts B\(_2\)Cl\(_4\)(SMe\(_2\))\(_2\) and B\(_2\)Br\(_4\)(SMe\(_2\))\(_2\) are conveniently prepared in one-step syntheses from the commercially-available starting material B\(_2\)(NMe\(_2\))\(_4\). The results provide simple access to the full range of tetrahalodiboranes(4) for the exploration of their untapped synthetic potential.
KW  - Boron
KW  - Diboranes
KW  - Tetrafluorodiborane
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-149438
N1  - This is the pre-peer reviewed version of the following article: Chemical Communications, 2017,53, 8265-8267, which has been published in final form at doi:10.1039/C7CC03148C.
VL  - 53
ER  - 
TY  - INPR
A1  - Heidenreich, Julius F.
A1  - Gassenmaier, Tobias
A1  - Ankenbrand, Markus J.
A1  - Bley, Thorsten A.
A1  - Wech, Tobias
T1  - Self-configuring nnU-net pipeline enables fully automatic infarct segmentation in late enhancement MRI after myocardial infarction
N2  - Purpose
To fully automatically derive quantitative parameters from late gadolinium enhancement (LGE) cardiac MR (CMR) in patients with myocardial infarction and to investigate if phase sensitive or magnitude reconstructions or a combination of both results in best segmentation accuracy.

Methods
In this retrospective single center study, a convolutional neural network with a U-Net architecture with a self-configuring framework (“nnU-net”) was trained for segmentation of left ventricular myocardium and infarct zone in LGE-CMR. A database of 170 examinations from 78 patients with history of myocardial infarction was assembled. Separate fitting of the model was performed, using phase sensitive inversion recovery, the magnitude reconstruction or both contrasts as input channels.
Manual labelling served as ground truth. In a subset of 10 patients, the performance of the trained models was evaluated and quantitatively compared by determination of the Sørensen-Dice similarity coefficient (DSC) and volumes of the infarct zone compared with the manual ground truth using Pearson’s r correlation and Bland-Altman analysis. 

Results
The model achieved high similarity coefficients for myocardium and scar tissue. No significant difference was observed between using PSIR, magnitude reconstruction or both contrasts as input (PSIR and MAG; mean DSC: 0.83 ± 0.03 for myocardium and 0.72 ± 0.08 for scars). A strong correlation for volumes of infarct zone was observed between manual and model-based approach (r = 0.96), with a significant underestimation of the volumes obtained from the neural network.

Conclusion
The self-configuring nnU-net achieves predictions with strong agreement compared to manual segmentation, proving the potential as a promising tool to provide fully automatic quantitative evaluation of LGE-CMR.
KW  - Deep learning
KW  - CMR
KW  - Segmentation
KW  - Myocardial infarction
KW  - Scar
KW  - nnU-net
Y1  - 2021
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-323418
UR  - https://doi.org/10.1016/j.ejrad.2021.109817
ET  - accepted version
ER  - 
TY  - INPR
A1  - Hennig, Thomas
A1  - Prusty, Archana B.
A1  - Kaufer, Benedikt
A1  - Whisnant, Adam W.
A1  - Lodha, Manivel
A1  - Enders, Antje
A1  - Thomas, Julius
A1  - Kasimir, Francesca
A1  - Grothey, Arnhild
A1  - Herb, Stefanie
A1  - Jürges, Christopher
A1  - Meister, Gunter
A1  - Erhard, Florian
A1  - Dölken, Lars
A1  - Prusty, Bhupesh K.
T1  - Selective inhibition of microRNA processing by a herpesvirus-encoded microRNA triggers virus reactivation from latency
N2  - Herpesviruses have mastered host cell modulation and immune evasion to augment productive infection, life-long latency and reactivation thereof 1,2. A long appreciated, yet elusively defined relationship exists between the lytic-latent switch and viral non-coding RNAs 3,4. Here, we identify miRNA-mediated inhibition of miRNA processing as a novel cellular mechanism that human herpesvirus 6A (HHV-6A) exploits to disrupt mitochondrial architecture, evade intrinsic host defense and drive the latent-lytic switch. We demonstrate that virus-encoded miR-aU14 selectively inhibits the processing of multiple miR-30 family members by direct interaction with the respective pri-miRNA hairpin loops. Subsequent loss of miR-30 and activation of miR-30/p53/Drp1 axis triggers a profound disruption of mitochondrial architecture, which impairs induction of type I interferons and is necessary for both productive infection and virus reactivation. Ectopic expression of miR-aU14 was sufficient to trigger virus reactivation from latency thereby identifying it as a readily drugable master regulator of the herpesvirus latent-lytic switch. Our results show that miRNA-mediated inhibition of miRNA processing represents a generalized cellular mechanism that can be exploited to selectively target individual members of miRNA families. We anticipate that targeting miR-aU14 provides exciting therapeutic options for preventing herpesvirus reactivations in HHV-6-associated disorders like myalgic encephalitis/chronic fatigue syndrome (ME/CFS) and Long-COVID.
KW  - Herpesvirus
KW  - HHV-6
KW  - miRNA processing
KW  - miR-30
KW  - mitochondria
KW  - fusion and fission
KW  - type I interferon
KW  - latency
KW  - virus reactivation
Y1  - 2021
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-267858
UR  - https://doi.org/10.21203/rs.3.rs-820696/v1
ET  - submitted version
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Reference Architecture, Design of Cascading Style Sheets Processing Model
N2  - The technique of using Cascading Style Sheets (CSS) to format and present structured data is called CSS processing model. For instance a CSS processing model for XML documents describes steps involved in formatting and presenting XML documents on screens or papers. Many software applications such as browsers and XML editors have their own CSS processing models which are part of their rendering engines. For instance each browser based on its CSS processing model renders CSS layout differently, as a result an inconsistency in the support of CSS features arises. Some browsers support more CSS features than others, and the rendering itself varies. Moreover the W3C standards are not even adhered by some browsers such as Internet Explorer. Test suites and other hacks and filters cannot definitely solve these problems, because these solutions are temporary and fragile. To palliate this inconsistency and browser compatibility issues with respect to CSS, a reference CSS processing model is needed. By extension it could even allow interoperability across CSS rendering engines. A reference architecture would provide common software architecture and interfaces, and facilitate refactoring, reuse, and automated unit testing. In [2] a reference architecture for browsers has been proposed. However this reference architecture is a macro reference model which does not consider separately individual components of rendering and layout engines. In this paper an attempt to develop a reference architecture for CSS processing models is discussed. In addition the Vex editor [3] rendering and layout engines, as well as an extended version of the editor used in TextGrid project [5] are also presented in order to validate the proposed reference architecture.
KW  - Cascading Style Sheets
KW  - XML
KW  - Softwarearchitektur
KW  - CSS
KW  - XML
KW  - Processing Model
KW  - Reference Architecture
Y1  - 2010
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-51328
ER  - 
TY  - INPR
A1  - Arrowsmith, Merle
A1  - Böhnke, Julian
A1  - Braunschweig, Holger
A1  - Celik, Mehmet Ali
T1  - Reactivity of a Dihydrodiborene with CO: Coordination, Insertion, Cleavage and Spontaneous Cyclic Alkyne Formation
T2  - Angewandte Chemie, International Edition
N2  - Under a CO atmosphere the dihydrodiborene [(cAAC)HB=BH(cAAC)] underwent coordination of CO concomitant with reversible hydrogen migration from boron to the carbene carbon atom, as well as reversible CO insertion into the B=B bond. Heating of the CO-adduct resulted in two unusual cAAC ring-expansion products, one presenting a B=C bond to a six-membered 1,2-azaborinane-3-ylidene, the other an unprecedented nine-membered cyclic alkyne resulting from reductive cleavage of CO and spontaneous C≡C triple bond formation.
KW  - CO activation
KW  - diborene
KW  - ring expansion
KW  - insertion
KW  - cyclic (alkyl)(amino)carbene
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-153318
N1  - This is the pre-peer reviewed version of the following article: Arrowsmith, M., Böhnke, J., Braunschweig, H. and Celik, M., Reactivity of a Dihydrodiborene with CO: Coordination, Insertion, Cleavage and Spontaneous Cyclic Alkyne Formation. Angew. Chem. Int. Ed. 2017, 129,14475 –14480. Accepted Author Manuscript. doi:10.1002/anie.201707907. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
ER  - 
TY  - INPR
A1  - Braunschweig, Holger
A1  - Brückner, Tobias
A1  - Deißenberger, Andrea
A1  - Dewhurst, Rian
A1  - Gackstatter, Annika
A1  - Gärtner, Annalena
A1  - Hofmann, Alexander
A1  - Kupfer, Thomas
A1  - Prieschl, Dominic
A1  - Thiess, Torsten
A1  - Wang, Sunewang Rixin
T1  - Reaction of Dihalodiboranes(4) with N-Heterocyclic Silylenes: Facile Construction of 1-Aryl-2-Silyl-1,2-Diboraindanes
T2  - Chemistry, A European Journal
N2  - Dihalodiboranes(4) react with an N-heterocyclic silylene (NHSi) to generate NHSi-adducts of 1-aryl-2-silyl-1,2-diboraindanes as confirmed by X-ray crystallography, featuring the functionalization of both B–X (X = halogen) bonds and a C–H bond under mild conditions. Coordination of a third NHSi to the proposed 1,1-diaryl- 2,2-disilyldiborane(4) intermediates, generated by a two-fold B–X insertion, may be crucial for the C–H borylation that leads to the final products. Notably, our results demonstrate the first C–H borylation with a strong B–F bond activated by silylene insertion.
KW  - diborane
KW  - boron
KW  - silylenes
KW  - CH activation
KW  - bond activation
KW  - diboraindanes
KW  - diboranes
KW  - synthetic methods
KW  - borylation
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-153068
N1  - This is the pre-peer reviewed version of the following article: H. Braunschweig, T. Brückner, A. Deißenberger, R. D. Dewhurst, A. Gackstatter, A. Gärtner, A. Hofmann, T. Kupfer, D. Prieschl, T. Thiess, S. R. Wang, Reaction of Dihalodiboranes(4) with a N-Heterocyclic Silylene: Facile Construction of 1-Aryl-2-Silyl-1,2-Diboraindanes, Chem. Eur. J. 2017, 23, 9491., which has been published in final form at dx.doi.org/10.1002/chem.201702377. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving
ER  - 
TY  - INPR
A1  - Dandekar, Thomas
T1  - Qubit transition into defined Bits: A fresh perspective for cosmology  and unifying theories
N2  - In this view point we do not change cosmology after the hot fireball starts (hence agrees well with observation), but the changed start suggested and resulting later implications lead to an even better fit with current observations (voids, supercluster and galaxy formation; matter and no antimatter) than the standard model with big bang and inflation: In an eternal ocean of qubits, a cluster of qubits crystallizes to defined bits. The universe does not jump into existence (“big bang”) but rather you have an eternal ocean of qubits in free super-position of all their quantum states (of any dimension, force field and particle type) as permanent basis. The undefined, boiling vacuum is the real “outside”, once you leave our everyday universe. A set of n Qubits in the ocean are “liquid”, in very undefined state, they have all their m possibilities for quantum states in free superposition. However, under certain conditions the qubits interact, become defined, and freeze out, crystals form and give rise to a defined, real world with all possible time series and world lines. GR holds only within the crystal.  In our universe all n**m quantum possibilities are nicely separated and crystallized out to defined bit states: A toy example with 6 qubits each having 2 states illustrates, this is completely sufficient to encode space using 3 bits for x,y and z, 1 bit for particle type and 2 bits for its state. Just by crystallization, space, particles and their properties emerge from the ocean of qubits, and following the arrow of entropy, time emerges, following an arrow of time and expansion from one corner of the toy universe to everywhere else. This perspective provides time as emergent feature considering entropy: crystallization of each world line leads to defined world lines over their whole existence, while entropy ensures direction of time and higher representation of high entropy states considering the whole crystal and all slices of world lines. The crystal perspective is also economic compared to the Everett-type multiverse, each qubit has its m quantum states and n qubits interacting forming a crystal and hence turning into defined bit states has only n**m states and not more states. There is no Everett-type world splitting with every decision but rather individual world trajectories reside in individual world layers of the crystal. Finally, bit-separated crystals come and go in the qubit ocean, selecting for the ability to lay seeds for new crystals. This self-organizing reproduction selects over generations also for life-friendliness. Mathematical treatment introduces quantum action theory as a framework for a general lattice field theory extending quantum chromo dynamics where scalar fields for color interaction and gravity have to be derived from the permeating qubit-interaction field. Vacuum energy should get appropriately low by the binding properties of the qubit crystal. Connections to loop quantum gravity, string theory and emergent gravity are discussed. Standard physics (quantum computing; crystallization, solid state physics) allow validation tests of this perspective and will extend current results.
KW  - qubit
KW  - cosmology
KW  - phase transition
KW  - unified theories
KW  - crystallization
KW  - emergent gravity
Y1  - 2022
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-266418
ER  - 
TY  - INPR
A1  - Saal, Fridolin
A1  - Swain, Asim
A1  - Schmiedel, Alexander
A1  - Holzapfel, Marco
A1  - Lambert, Christoph
A1  - Ravat, Prince
T1  - Push-Pull [7]Helicene Diimide: Excited-State Charge Transfer and Solvatochromic Circularly Polarised Luminescence
N2  - In this communication we describe a helically chiral push-pull molecule named 9,10-dimethoxy-[7]helicene diimide, displaying fluorescence (FL) and circularly polarised luminescence (CPL) over nearly the entire visible spectrum dependent on solvent polarity. The synthesised molecule exhibits an unusual solvent polarity dependence of FL quantum yield and nonradiative rate constant, as well as remarkable gabs and glum values along with high configurational stability.
KW  - Helicene diimide
Y1  - 2023
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-345207
UR  - https://doi.org/10.1039/D3CC04470J
ET  - submitted version
ER  - 
TY  - INPR
A1  - Löffler, Mona C.
A1  - Mayer, Alexander E.
A1  - Trujillo Viera, Jonathan
A1  - Loza Valdes, Angel
A1  - El-Merahib, Rabih
A1  - Ade, Carsten P.
A1  - Karwen, Till
A1  - Schmitz, Werner
A1  - Slotta, Anja
A1  - Erk, Manuela
A1  - Janaki-Raman, Sudha
A1  - Matesanz, Nuria
A1  - Torres, Jorge L.
A1  - Marcos, Miguel
A1  - Sabio, Guadalupe
A1  - Eilers, Martin
A1  - Schulze, Almut
A1  - Sumara, Grzegorz
T1  - Protein kinase D1 deletion in adipocytes enhances energy dissipation and protects against adiposity
T2  - The EMBO Journal
N2  - Nutrient overload in combination with decreased energy dissipation promotes obesity and diabetes. Obesity results in a hormonal imbalance, which among others, activates G-protein coupled receptors utilizing diacylglycerol (DAG) as secondary messenger. Protein kinase D1 (PKD1) is a DAG effector which integrates multiple nutritional and hormonal inputs, but its physiological role in adipocytes is unknown. Here, we show that PKD1 promotes lipogenesis and suppresses mitochondrial fragmentation, biogenesis, respiration, and energy dissipation in an AMP-activated protein kinase (AMPK)-dependent manner. Moreover, mice lacking PKD1 in adipocytes are resistant to diet-induced obesity due to elevated energy expenditure. Beiging of adipocytes promotes energy expenditure and counteracts obesity. Consistently, deletion of PKD1 promotes expression of the β3-adrenergic receptor (ADRB3) in a CCAAT/enhancerbinding protein (C/EBP)-α and δ-dependent manner, which leads to the elevated expression of beige markers in adipocytes and subcutaneous adipose tissue. Finally, deletion of PKD1 in adipocytes improves insulin sensitivity and ameliorates liver steatosis. Thus, loss of PKD1 in adipocytes increases energy dissipation by several complementary mechanisms and might represent an attractive strategy to treat obesity and its related complications.
KW  - AMP-activated protein kinase (AMPK)
KW  - Beige adipocytes
KW  - β3 adrenergic receptor (ADRB3)
KW  - C/EBP
KW  - Protein kinase D1 (PKD1)
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-176093
ER  - 
TY  - INPR
A1  - Dandekar, Thomas
T1  - Protein folding and crystallization applied to qubit interactions and fundamental physics yields a modified inflation model for cosmology
N2  - Protein folding achieves a clear solution structure in a huge parameter space (the so-called protein folding problem). Proteins fold in water, and get by this a highly ordered structure. Finally, inside a protein crystal for structure resolution, you have everywhere the same symmetries as there is everywhere the same unit cell. We apply this to qubit interactions to do fundamental physics: 
in a modified cosmology, we replace the big bang by a condensation event in an eternal all-encompassing ocean of free qubits. Interactions of qubits in the qubit ocean are quite rare but provide a nucleus or seed for a new universe (domain) as the qubits become decoherent and freeze-out into defined bit ensembles. Second, we replace inflation by a crystallization event triggered by the nucleus of interacting qubits to which rapidly more and more qubits attach (like in everyday crystal growth). The crystal unit cell guarantees same symmetries everywhere inside the crystal. The textbook inflation scenario to explain the same laws of nature in our domain is replaced by the unit cell of the crystal formed. 
Interacting qubits solidify, quantum entropy decreases (but increases in the ocean around). In a modified inflation scenario, the interacting qubits form a rapidly growing domain where the n**m states become separated ensemble states, rising long-range forces stop ultimately further growth. Then standard cosmology with the hot fireball model takes over. Our theory agrees well with lack of inflation traces in cosmic background measurements. We explain by cosmological crystallization instead of inflation: early creation of large-scale structure of voids and filaments, supercluster formation, galaxy formation, and the dominance of matter: the unit cell of our crystal universe has a matter handedness avoiding anti-matter.
We prove initiation of qubit interactions can only be 1,2,4 or 8-dimensional (agrees with E8 symmetry of our universe). Repulsive forces at ultrashort distances result from quantization, long-range forces limit crystal growth. Crystals come and go in the qubit ocean. This selects for the ability to lay seeds for new crystals, for self-organization and life-friendliness. 
The phase space of the crystal agrees with the standard model of the basic four forces for n quanta. It includes all possible ensemble combinations of their quantum states m, a total of n**m states. Neighbor states reach according to transition possibilities (S-matrix) with emergent time from entropic ensemble gradients. However, in our four dimensions there is only one bit overlap to neighbor states left (almost solid, only below Planck quantum there is liquidity left). The E8 symmetry of heterotic string theory has six curled-up, small dimensions which help to keep the qubit crystal together and will never expand.
Mathematics focusses on the Hurwitz proof applied to qubit interaction, a toy model of qubit interaction and repulsive forces of qubits. Vacuum energy gets appropriate low inside the crystal. We give first energy estimates for free qubits vs bound qubits, misplacements in the qubit crystal and entropy increase during qubit decoherence / crystal formation. Scalar fields for color interaction/confinement and gravity are derived from the qubit-interaction field.
KW  - protein folding
KW  - crystallization
KW  - qubit interaction
KW  - decoherence
KW  - modified inflation
Y1  - 2023
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-346156
ER  - 
TY  - INPR
A1  - Neitz, Hermann
A1  - Bessi, Irene
A1  - Kuper, Jochen
A1  - Kisker, Caroline
A1  - Höbartner, Claudia
T1  - Programmable DNA interstrand crosslinking by alkene-alkyne [2+2] photocycloaddition
T2  - Journal of the American Chemical Society
N2  - Covalent crosslinking of DNA strands provides a useful tool for medical, biochemical and DNA nanotechnology applications. Here we present a light-induced interstrand DNA crosslinking reaction using the modified nucleoside 5-phenylethynyl-2’-deoxyuridine (\(^{Phe}\)dU). The crosslinking ability of \(^{Phe}\)dU was programmed by base pairing and by metal ion interaction at the Watson-Crick base pairing site. Rotation to intrahelical positions was favored by hydrophobic stacking and enabled an unexpected photochemical alkene-alkyne [2+2] cycloaddition within the DNA duplex, resulting in efficient formation of a \(^{Phe}\)dU-dimer after short irradiation times of a few seconds. A \(^{Phe}\)dU dimer-containing DNA was shown to efficiently bind a helicase complex, but the covalent crosslink completely prevented DNA unwinding, suggesting possible applications in biochemistry or structural biology.
KW  - light-induced interstrand DNA crosslinking
KW  - alkene-alkyne [2+2] photocycloaddition
KW  - DNA-based nanostructures
KW  - DNA-processing enzymes
Y1  - 2023
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-311822
N1  - This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Journal of the American Chemical Society, copyright © 2023 The Authors. Published by American Chemical Society. after peer review. To access the final edited and published work see https://doi.org/10.1021/jacs.3c01611.
ET  - submitted version
ER  - 
TY  - INPR
A1  - Humeniuk, Alexander
A1  - Bužančić, Margarita
A1  - Hoche, Joscha
A1  - Cerezo, Javier
A1  - Mitric, Roland
A1  - Santoro, Fabrizio
A1  - Bonačić-Koutecky, Vlasta
T1  - Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function
T2  - The Journal of Chemical Physics
N2  - For the rational design of new fluorophores, reliable predictions of fluorescence quantum yields from first principles would be of great help. However, efficient computational approaches for predicting transition rates usually assume that the vibrational structure is harmonic. While the harmonic approximation has been used successfully to predict vibrationally resolved spectra and radiative rates, its reliability for non-radiative rates is much more questionable. Since non-adiabatic transitions convert large amounts of electronic energy into vibrational energy, the highly excited final vibrational states deviate greatly from harmonic oscillator eigenfunctions. We employ a time-dependent formalism to compute radiative and non-radiative rates for transitions and study the dependence on model parameters. For several coumarin dyes we compare different adiabatic and vertical harmonic models (AS, ASF, AH, VG, VGF, VH), in order to dissect the
importance of displacements, frequency changes and Duschinsky rotations. In addition we analyze the effect of different broadening functions (Gaussian, Lorentzian or Voigt). Moreover, to assess the qualitative influence of anharmonicity on the internal conversion rate, we develop a simplified anharmonic model. We adress the reliability of these models considering the potential errors introduced by the harmonic approximation and the phenomenological width of the broadening function.
KW  - fluorescence quantum yield
Y1  - 2020
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-199305
UR  - https://doi.org/10.1063/1.5143212
N1  - Accepted Manuscript.
N1  - This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in A. Humeniuk et al. J. Chem. Phys. 152, 054107 (2020); https://doi.org/10.1063/1.5143212 and may be found at https://doi.org/10.1063/1.5143212.
ER  - 
TY  - INPR
A1  - Werner, Rudolf A.
A1  - Ilhan, Harun
A1  - Lehner, Sebastian
A1  - Papp, László
A1  - Zsótér, Norbert
A1  - Schatka, Imke
A1  - Muegge, Dirk O.
A1  - Javadi, Mehrbod S.
A1  - Higuchi, Takahiro
A1  - Buck, Andreas K.
A1  - Bartenstein, Peter
A1  - Bengel, Frank
A1  - Essler, Markus
A1  - Lapa, Constantin
A1  - Bundschuh, Ralph A.
T1  - Pre-therapy Somatostatin-Receptor-Based Heterogeneity Predicts Overall Survival in Pancreatic Neuroendocrine Tumor Patients Undergoing Peptide Receptor Radionuclide Therapy
T2  - Molecular Imaging and Biology
N2  - Purpose: Early identification of aggressive disease could improve decision-support in pancreatic neuroendocrine tumor (pNET) patients prior to peptide receptor radionuclide therapy (PRRT). The prognostic value of intratumoral textural features (TF) determined by baseline somatostatin receptor (SSTR)-PET before PRRT was analyzed.
Procedures: 31 patients with G1/G2 pNET were enrolled (G2, n=23/31). Prior to PRRT with [\(^{177}\)Lu]DOTATATE (mean, 3.6 cycles), baseline SSTR-PET/CT was performed. By segmentation of 162 (median per patient, 5) metastases, intratumoral TF were computed. The impact of conventional PET parameters  (SUV\(_{mean/max}\)), imaging-based TF as well as clinical parameters (Ki67, CgA) for prediction of both progression-free (PFS) and overall survival (OS) after PRRT was evaluated.
Results: Within a median follow-up of 3.7y, tumor progression was detected in 21 patients (median, 1.5y) and 13/31 deceased (median, 1.9y). In ROC analysis, the TF Entropy, reflecting derangement on a voxel-by-voxel level, demonstrated predictive capability for OS (cutoff=6.7, AUC=0.71, p=0.02). Of note, increasing Entropy could predict a longer survival (>6.7, OS=2.5y, 17/31), whereas less voxel-based derangement portended inferior outcome (<6.7, OS=1.9y, 14/31). These findings were supported in a G2 subanalysis (>6.9, OS=2.8y, 9/23 vs. <6.9, OS=1.9y, 14/23). Kaplan-Meier analysis revealed a significant distinction between high- and low-risk groups using Entropy (n=31, p<0.05). For those patients below the ROC-derived threshold, the relative risk of death after PRRT was 2.73 (n=31, p=0.04). Ki67 was negatively associated with PFS (p=0.002); however, SUVmean/max failed in prognostication (n.s.).
Conclusions: In contrast to conventional PET parameters, assessment of intratumoral heterogeneity demonstrated superior prognostic performance in pNET patients undergoing PRRT. This novel PET-based strategy of outcome prediction prior to PRRT might be useful for patient risk stratification.
KW  - Pancreas
KW  - Positronen-Emissions-Tomografie
KW  - PET
KW  - neuroendocrine tumor
KW  - tumor heterogeneity
KW  - [68Ga]
KW  - [177Lu]-DOTATATE/-DOTATOC
KW  - PET/CT
KW  - SSTR
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-164624
UR  - https://link.springer.com/article/10.1007/s11307-018-1252-5
SN  - 1536-1632
N1  - This is a post-peer-review, pre-copyedit version of an article published in Molecular Imaging and Biology. The final authenticated version is available online at: http://dx.doi.org/s11307-018-1252-5
N1  - Die finale Version dieses Artikels steht unter https://doi.org/10.1007/s11307-018-1252-5 bzw. http://nbn-resolving.org/urn:nbn:de:bvb:20-opus-167168 open access zur Verfügung.
ER  - 
TY  - INPR
A1  - Kiesler, Reinhard
T1  - Por uma fonética arábigo-portuguesa
N2  - Der Aufsatz beschäftigt sich mit der lautlichen Anpassung der arabischen Lehnwörter im Portugiesischen. Behandelt werden die Betonung, der Vokalismus und der Konsonantismus sowie verschiedene kontextabhängige Lautwandelerscheinungen.
KW  - Phonetik
KW  - Lehnwort
KW  - Portugiesisch
KW  - Arabismus
KW  - Historische Phonetik
KW  - Arabisch
KW  - phonetics
KW  - Portuguese
KW  - Arabic
Y1  - 1992
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-83519
ER  - 
TY  - INPR
A1  - Reiss, Harald
T1  - Physical time and existence of time holes in non-transparent media
N2  - The analysis presented in this paper applies to experimental situations where observers or objects to be studied (both stationary, with respect to each other) are located in environments the optical thickness of which is strongly different. By their large optical thickness, non-transparent media are clearly distinguished from their transparent counterparts. Non-transparent media comprise thin metallic films, packed or fluidised beds, the Earth’s crust, and even dark clouds and other cosmological objects. As a representative example, a non-transparent slab is subjected to transient disturbances, and a rigorous analysis is presented whether physical time reasonably could be constructed under such condition. The analysis incorporates mapping functions that correlate physical events, e, in non-transparent media, with their images, f(e), tentatively located on a standard physical time scale. The analysis demonstrates, however, that physical time, in its rigorous sense, does not exist under non-transparency conditions. A proof of this conclusion is attempted in three steps: i) the theorem “there is no time without space and events” is accepted, (ii) images f[e(s,t)] do not constitute a dense, uncountably infinite set, and (iii) sets of images that are not uncountably infinite do not create physical time but only time-like sequences. As a consequence, mapping f[e(s,t)] in non-transparent space does not create physical analogues to the mathematical structure of the ordered, dense half-set R+ of real numbers, and reverse mapping, f-1f[e(s,t)] would not allow unique identification and reconstruction of original events from their images. In these cases, causality and determinism, as well as invariance of physical processes under time reversal, might be violated. Existence of time holes could be possible, as follows from the sequence of images, f[e(s,t)], that is not uncountably infinite, in contrast to R+. Practical impacts are expected for understanding physical diffusion-like, radiative transfer processes, stability models to protect superconductors against quenchs or for description of their transient local pair density and critical currents. Impacts would be expected also in mathematical formulations (differential equations) of classical physics, in relativity and perhaps in quantum mechanics, all as far as transient processes in non-transparent space would be concerned. An interesting problem is whether temporal cloaking (a time hole) in a transparent medium, as very recently reported in the literature, can be explained by the present analysis. The analysis is not restricted to objects of laboratory dimensions: Because of obviously existing radiation transfer analogues, it is tempting to discuss consequences also for much larger structures in particular if an origin of time is postulated.
KW  - Strahlungstransport
KW  - Zeitrichtung
KW  - Supraleiter
KW  - Computersimulation
KW  - Non-transparency
KW  - disturbance
KW  - physical time
KW  - time hole
Y1  - 2012
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-67268
N1  - Von diesem Artikel gibt es eine überarbeitete Version unter urn:nbn:de:bvb:20-opus-73554.
ER  - 
TY  - INPR
A1  - Muessig, Jonas H.
A1  - Thaler, Melanie
A1  - Dewhurst, Rian D.
A1  - Paprocki, Valerie
A1  - Seufert, Jens
A1  - Mattock, James D.
A1  - Vargas, Alfredo
A1  - Braunschweig, Holger
T1  - Phosphine-Stabilized Diiododiborenes: Isolable Diborenes with Six Labile Bonds
T2  - Angewandte Chemie, International Edition
N2  - The lability of B=B, B-P and B-halide bonds is combined in the syntheses of the first diiododiborenes. In a series of reactivity tests, these diiododiborenes demonstrate cleavage of all six of their central bonds in different ways, leading to products of B=B hydrogenation and dihalogenation as well as halide exchange.
KW  - boron
KW  - low-valent main-group species
KW  - iodine
KW  - multiple bonding
KW  - 1,2-additions
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-178608
N1  - This is the pre-peer reviewed version of the following article: J. H. Muessig, M. Thaler, R. D. Dewhurst, V. Paprocki, J. Seufert, J. D. Mattock, A. Vargas, H. Braunschweig, Angew. Chem. Int. Ed. 2019, 58, 4405, which has been published in final form at https://doi.org/10.1002/anie.201814230. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Philosophical and Computational Approaches for Estimating and Visualizing Months of Revelations of Quranic Chapters
N2  - The question of why the Quran structure does not follow its chronology of revelation is a recurring one. Some Islamic scholars such as [1] have answered the question using hadiths, as well as other philosophical reasons based on internal evidences of the Quran itself. Unfortunately till today many are still wondering about this issue. Muslims believe that the Quran is a summary and a copy of the content of a preserved tablet called Lawhul-Mahfuz located in the heaven. Logically speaking, this suggests that the arrangement of the verses and chapters is expected to be similar to that of the Lawhul-Mahfuz. As for the arrangement of the verses in each chapter, there is unanimity that it was carried out by the Prophet himself under the guidance of Angel Gabriel with the recommendation of God. But concerning the ordering of the chapters, there are reports about some divergences [3] among the Prophet’s companions as to which chapter should precede which one. This paper argues that Quranic chapters might have been arranged according to months and seasons of revelation. In fact, based on some verses of the Quran, it is defendable that the Lawhul-Mahfuz itself is understood to have been structured in terms of the months of the year. In this study, philosophical and mathematical arguments for computing chapters’ months of revelation are discussed, and the result is displayed on an interactive scatter plot.
KW  - Text Mining
KW  - Visualisierung
KW  - Koran
KW  - Text mining
KW  - Visualization
KW  - Chronology of revelation
KW  - Chapters arrangement
KW  - Quran
KW  - Lawhul-Mahfuz
Y1  - 2011
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-65784
ER  - 
TY  - INPR
A1  - Dandekar, Thomas
T1  - Our universe may have started by Qubit decoherence
N2  - Our universe may have started by Qubit decoherence:

In quantum computers, qubits have all their states undefined during calculation and become defined as output (“decoherence”). We study the transition from an uncontrolled, chaotic quantum vacuum (“before”) to a clearly interacting “real world”. In such a cosmology, the Big Bang singularity is replaced by a condensation event of interacting strings. This triggers a crystallization process. This avoids inflation, not fitting current observations: increasing long-range interactions limit growth and crystal symmetries ensure the same laws of nature and basic symmetries over the whole crystal. Tiny mis-arrangements provide nuclei of superclusters and galaxies and crystal structure allows arrangement of dark (halo regions) and normal matter (galaxy nuclei) for galaxy formation. Crystals come and go: an evolutionary cosmology is explored: entropic forces from the quantum soup “outside” of the crystal try to dissolve it. This corresponds to dark energy and leads to a “big rip” in 70 Gigayears. Selection for best growth and condensation events over generations of crystals favors multiple self-organizing processes within the crystal including life or even conscious observers in our universe. Philosophically this theory shows harmony with nature and replaces absurd perspectives of current cosmology.
Independent of cosmology, we suggest that a “real world” (so our everyday macroscopic world) happens only inside a crystal. “Outside” there is wild quantum foam and superposition of all possibilities. In our crystallized world the vacuum no longer boils but is cooled down by the crystallization event, space-time exists and general relativity holds. Vacuum energy becomes 10**20 smaller, exactly as observed in our everyday world. We live in a “solid” state, within a crystal, the n quanta which build our world have all their different m states nicely separated. There are only nm states available for this local “multiverse”. The arrow of entropy for each edge of the crystal forms one fate, one world-line or clear development of our world, while layers of the crystal are different system states. Mathematical leads from loop quantum gravity (LQG) point to required interactions and potentials. Interaction potentials for strings or loop quanta of any dimension allow a solid, decoherent state of quanta challenging to calculate. However, if we introduce here the heuristic that any type of physical interaction of strings corresponds just to a type of calculation, there is already since 1898 the Hurwitz theorem showing that then only 1D, 2D, 4D and 8D (octonions) allow complex or hypercomplex number calculations. No other hypercomplex numbers and hence dimensions or symmetries are possible to allow calculations without yielding divisions by zero. However, the richest solution allowed by the Hurwitz theorem, octonions, is actually the observed symmetry of our universe, E8. Standard physics such as condensation, crystallization and magnetization but also solid-state physics and quantum computing allow us to show an initial mathematical treatment of our new theory by LQG to describe the cosmological state transformations by equations, and, most importantly, point out routes to parametrization of free parameters looking at testable phenomena, experiments and formulas that describe processes of crystallization, protein folding, magnetization, solid-state physics and quantum computing. This is presented here for LQG, for string theory it would be more elegant but was too demanding to be shown here.

Note: While my previous Opus server preprint “A new cosmology of a crystallization process (decoherence) from the surrounding quantum soup provides heuristics to unify general relativity and quantum physics by solid state physics” (https://doi.org/10.25972/OPUS-23076) deals with the same topics and basic formulas, this new version is improved: clearer in title, better introduction, more stringent in its mathematics and improved discussion of the implications including quantum computing, hints for parametrization and connections to LQG and other current cosmological efforts. 

This 5th of June 2021 version is again an OPUS preprint, but this will next be edited for Archives https://arxiv.org.
KW  - cosmology
KW  - quantum computing
KW  - loop quantum gravity
KW  - qubit
KW  - decoherence
KW  - crystallization
Y1  - 2021
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-239181
ER  - 
TY  - INPR
A1  - Breitenbach, Tim
A1  - Borzì, Alfio
T1  - On the SQH scheme to solve non-smooth PDE optimal control problems
T2  - Numerical Functional Analysis and Optimization
N2  - A sequential quadratic Hamiltonian (SQH) scheme for solving different classes of non-smooth and non-convex PDE optimal control problems is investigated considering seven different benchmark problems with increasing difficulty. These problems include linear and nonlinear PDEs with linear and bilinear control mechanisms, non-convex and discontinuous costs of the controls, L\(^1\) tracking terms, and the case of state constraints.  

The SQH method is based on the characterisation of optimality of PDE optimal control problems by the Pontryagin's maximum principle (PMP). For each problem, a theoretical discussion of the PMP optimality condition is given and results of numerical experiments are presented that demonstrate the large range of applicability of the SQH scheme.
KW  - SQH method
KW  - non-smooth optimization
KW  - Pontryagin maximum principle
KW  - nonconvex optimization
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-180936
N1  - This is an Accepted Manuscript of an article published by Taylor & Francis in Numerical Functional Analysis and Optimization on 27.04.2019, available online: http://www.tandfonline.com/10.1080/01630563.2019.1599911.
ER  - 
TY  - INPR
A1  - Werner, Rudolf A.
A1  - Bundschuh, Ralph A.
A1  - Bundschuh, Lena
A1  - Fanti, Stefano
A1  - Javadi, Mehrbod S.
A1  - Higuchi, Takahiro
A1  - Weich, A.
A1  - Pienta, Kenneth J.
A1  - Buck, Andreas K.
A1  - Pomper, Martin G.
A1  - Gorin, Michael A.
A1  - Herrmann, Ken
A1  - Lapa, Constantin
A1  - Rowe, Steven P.
T1  - Novel Structured Reporting Systems for Theranostic Radiotracers
T2  - Journal of Nuclear Medicine
N2  - Standardized reporting is more and more routinely implemented in clinical practice and such structured reports have a major impact on a large variety of medical fields, e.g. laboratory medicine, pathology, and, recently, radiology. Notably, the field of nuclear medicine is constantly evolving, as novel radiotracers for numerous clinical applications are developed. Thus, framework systems for standardized reporting in this field may a) increase clinical acceptance of new radiotracers, b) allow for inter- and intra-center comparisons for quality assurance, and c) may be used in (global) multi-center studies to ensure comparable results and enable efficient data abstraction. In the last two years, several standardized framework systems for positron emission tomography (PET) radiotracers with potential theranostic applications have been proposed. These include systems for prostate-specific membrane antigen (PSMA)-targeted PET agents for the diagnosis and treatment of prostate cancer (PCa) and somatostatin receptor (SSTR)-targeted PET agents for the diagnosis and treatment of neuroendocrine neoplasias. In the present review, those standardized framework systems for PSMA- and SSTR-targeted PET will be briefly introduced followed by an overview of their advantages and limitations. In addition, potential applications will be defined, approaches to validate such concepts will be proposed, and future perspectives will be discussed.
KW  - standardized reporting
KW  - Positronen-Emissions-Tomografie
KW  - prostate cancer
KW  - neuroendocrine neoplasia
KW  - 68Ga-DOTATATE
KW  - 68Ga-DOTATOC
KW  - 68Ga-DOTANOC
KW  - somatostatin receptor
KW  - SSTR
KW  - prostate-specific membrane antigen
KW  - PSMA
KW  - RADS
KW  - PSMA-RADS
KW  - SSTR-RADS
KW  - MI-RADS
KW  - PROMISE
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-174629
SN  - 0161-5505
N1  - This research was originally published in JNM. Authors: Rudolf A. Werner, Ralph A. Bundschuh, Lena Bundschuh, Stefano Fanti, Mehrbod S. Javadi, Takahiro Higuchi, A. Weich, Kenneth J. Pienta, Andreas K. Buck, Martin G. Pomper, Michael A. Gorin, Ken Herrmann, Constantin Lapa, Steven P. Rowe. Novel Structured Reporting Systems for Theranostic Radiotracers. J Nucl Med May 1, 2019 vol. 60 no. 5 577-584 © SNMMI.
ER  - 
TY  - INPR
A1  - Arrowsmith, Merle
A1  - Böhnke, Julian
A1  - Braunschweig, Holger
A1  - Celik, Mehmet
A1  - Claes, Christina
A1  - Ewing, William
A1  - Krummenacher, Ivo
A1  - Lubitz, Katharina
A1  - Schneider, Christoph
T1  - Neutral Diboron Analogues of Archetypal Aromatic Species by Spontaneous Cycloaddition
N2  - Among the numerous routes organic chemists have developed to synthesize benzene derivatives and heteroaro- matic compounds, transition-metal-catalyzed cycloaddition reactions are the most elegant. In contrast, cycloaddition reactions of heavier alkene and alkyne analogues, though limited in scope, proceed uncatalyzed. In this work we present the first spontaneous cycloaddition reactions of lighter alkene and alkyne analogues. Selective addition of unactivated alkynes to boron–boron multiple bonds under ambient con- ditions yielded diborocarbon equivalents of simple aromatic hydrocarbons, including the first neutral 6p-aromatic dibora- benzene compound, a 2 p-aromatic triplet biradical 1,3-dibor- ete, and a phosphine-stabilized 2 p-homoaromatic 1,3-dihydro- 1,3-diborete. DFT calculations suggest that all three com- pounds are aromatic and show frontier molecular orbitals matching those of the related aromatic hydrocarbons, C6H6 and C4H42+, and homoaromatic C4H5+.
KW  - Aromaticity
KW  - Biradicals
KW  - Boron
KW  - Cycloaddition
KW  - Multiple bonds
KW  - Diborane
KW  - Cycloaddition
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-142500
ER  - 
TY  - INPR
A1  - Stennett, Tom E.
A1  - Bissinger, Philipp
A1  - Griesbeck, Stefanie
A1  - Ullrich, Stefan
A1  - Krummenacher, Ivo
A1  - Auth, Michael
A1  - Sperlich, Andreas
A1  - Stolte, Matthias
A1  - Radacki, Krzysztof
A1  - Yao, Chang-Jiang
A1  - Würthner, Frank
A1  - Steffen, Andreas
A1  - Marder, Todd B.
A1  - Braunschweig, Holger
T1  - Near-Infrared Quadrupolar Chromophores Combining Three-Coordinate Boron-Based Superdonor and Superacceptor Units
T2  - Angewandte Chemie, International Edition
N2  - In this work, two new quadrupolar A-π-D-π-A chromophores have been prepared featuring a strongly electron- donating diborene core and strongly electron-accepting dimesitylboryl F(BMes2) and bis(2,4,6-tris(trifluoromethyl)phenyl)boryl (BMes2) end groups. Analysis of the compounds by NMR spectroscopy, X-ray crystallography, cyclic voltammetry and UV-vis-NIR absorption and emission spectroscopy indicated that the compounds possess extended conjugated π-systems spanning their B4C8 cores. The combination of exceptionally potent π-donor (diborene) and π- acceptor (diarylboryl) groups, both based on trigonal boron, leads to very small HOMO-LUMO gaps, resulting in strong absorption in the near-IR region with maxima in THF at 840 and 1092 nm, respectively, and very high extinction coefficients of ca. 120,000 M-1cm-1. Both molecules also display weak near-IR fluorescence with small Stokes shifts.
KW  - boron
KW  - near-IR chromophores
KW  - conjugation
KW  - low-valent compounds
KW  - synthesis
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-180391
N1  - This is the pre-peer reviewed version of the following article: T. E. Stennett, P. Bissinger, S. Griesbeck, S. Ullrich, I. Krummenacher, M. Auth, A. Sperlich, M. Stolte, K. Radacki, C.-J. Yao, F. Wuerthner, A. Steffen, T. B. Marder, H. Braunschweig, Angew. Chem. Int. Ed. 2019, 58, 6449. , which has been published in final form at  https://doi.org/10.1002/anie.201900889. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
ER  - 
TY  - INPR
A1  - Sednev, Maksim V.
A1  - Mykhailiuk, Volodymyr
A1  - Choudhury, Priyanka
A1  - Halang, Julia
A1  - Sloan, Katherine E.
A1  - Bohnsack, Markus T.
A1  - Höbartner, Claudia
T1  - N\(^6\)-methyladenosine-sensitive RNA-cleaving deoxyribozymes
T2  - Angewandte Chemie, International Edition
N2  - Deoxyribozymes are synthetic enzymes made of DNA that can catalyze the cleavage or formation of phosphodiester bonds and are useful tools for RNA biochemistry. Here we report new RNA-cleaving deoxyribozymes to interrogate the methylation status of target RNAs, thereby providing an alternative method for the biochemical validation of RNA methylation sites containing N\(^6\)-methyladenosine, which is the most wide-spread and extensively investigated natural RNA modification. Using in vitro selection from random DNA, we developed deoxyribozymes that are sensitive to the presence of N\(^6\)-methyladenosine in RNA near the cleavage site. One class of these DNA enzymes shows faster cleavage of methylated RNA, while others are strongly inhibited by the modified nucleotide. The general applicability of the new deoxyribozymes is demonstrated for several examples of natural RNA sequences, including a lncRNA and a set of C/D box snoRNAs, which have been suggested to contain m\(^6\)A as a regulatory element that influences RNA folding and protein binding.
KW  - N6-methyladenosine
KW  - RNA modification
KW  - deoxyribozymes
KW  - in vitro selection
KW  - DNA catalyst
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-171753
N1  - This is the pre-peer reviewed version of the following article: M.V. Sednev, V. Mykhailiuk, P. Choudhury, J. Halang, K. E. Sloan, M. T. Bohnsack, C. Höbartner, Angew. Chem. Int. Ed. 2018, 57, 15117-15121, which has been published in final form at https://doi.org/10.1002/anie.201808745. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
ER  - 
TY  - INPR
A1  - Wang, Sunewang Rixin
A1  - Arrowsmith, Merle
A1  - Braunschweig, Holger
A1  - Dewhurst, Rian
A1  - Dömling, Michael
A1  - Mattock, James
A1  - Pranckevicius, Conor
A1  - Vargas, Alfredo
T1  - Monomeric 16-Electron π-Diborene Complexes of Zn(II) and Cd(II)
T2  - Journal of the American Chemical Society
N2  - Despite the prevalence of stable π-complexes of most d\(^{10}\) metals, such as Cu(I) and Ni(0), with ethylene and other olefins, complexation of d\(^{10}\) Zn(II) to simple olefins is too weak to form isolable complexes due to the metal ion's limited capacity for π-backdonation. By employing more strongly donating π- ligands, namely neutral diborenes with a high-lying π(B=B) or- bital, monomeric 16-electron M(II)-diborene (M = Zn, Cd) π- complexes were synthesized in good yields. Metal–B2 π- interactions in both the solid and solution state were confirmed by single-crystal X-ray analyses and their solution NMR and UV-vis absorption spectroscopy, respectively. The M(II) centers adopt a trigonal planar geometry and interact almost symmetrically with both boron atoms. The MB2 planes significantly twist out of the MX\(_2\) planes about the M-centroid(B–B) vector, with angles rang- ing from 47.0° to 85.5°, depending on the steric interactions be- tween the diborene ligand and the MX\(_2\) fragment.
KW  - boron
KW  - transition metal complex
KW  - diborene
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-153058
N1  - This is the pre-peer reviewed version of the following article: Journal of the American Chemical Society, 2017, 139 (31), pp 10661–10664, which has been published in final form at doi:10.1021/jacs.7b06644.
ER  - 
TY  - INPR
A1  - Bartfeld, Sina
T1  - Modeling infectious diseases and host-microbe interactions in gastrointestinal organoids
T2  - Developmental Biology
N2  - Advances in stem cell research have allowed the development of 3-dimensional (3D) primary cell cultures termed organoid cultures, as they closely mimic the in vivo organization of different cell lineages. Bridging the gap between 2-dimensional (2D) monotypic cancer cell lines and whole organisms, organoids are now widely applied to model development and disease. Organoids hold immense promise for addressing novel questions in host-microbe interactions, infectious diseases and the resulting inflammatory conditions. Researchers have started to use organoids for modeling infection with pathogens, such as Helicobacter pylori or Salmonella enteritica, gut- microbiota interactions and inflammatory bowel disease. Future studies will broaden the spectrum of microbes used and continue to establish organoids as a standard model for human host-microbial interactions. Moreover, they will increasingly exploit the unique advantages of organoids, for example to address patient-specific responses to microbes.
KW  - gastrointestinal disease
KW  - salmonella
KW  - microbiota
KW  - inflammatory bowel disease
KW  - organoid culture
KW  - helicobacter
KW  - rotavirus
KW  - norovirus
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-138788
UR  - http://www.sciencedirect.com/science/article/pii/S0012160616304602
SN  - 0012-1606
N1  - This is the accepted version of the following article: Bartfeld, Sina, Modeling infectious diseases and host-microbe interactions in gastrointestinal organoids, Developmental Biology, 2016, 420, 2, 262-270. http://dx.doi.org/10.1016/j.ydbio.2016.09.014
ER  - 
TY  - INPR
A1  - Légaré, Marc-André
A1  - Pranckevicius, Conor
A1  - Braunschweig, Holger
T1  - Metallomimetic Chemistry of Boron
T2  - Chemical Reviews
N2  - The study of main-group molecules that behave and react similarly to transition-metal (TM) complexes has attracted significant interest in recent decades. Most notably, the attractive idea of replacing the all-too-often rare and costly metals from catalysis has motivated efforts to develop main-group-element-mediated reactions. Main-group elements, however, lack the electronic flexibility of TM complexes that arises from combinations of empty and filled d orbitals and that seem ideally suited to bind and activate many substrates. In this review, we look at boron, an element that despite its nonmetal nature, low atomic weight, and relative redox staticity has achieved great milestones in terms of TM-like reactivity. We show how in interelement cooperative systems, diboron molecules, and hypovalent complexes the fifth element can acquire a truly metallomimetic character. As we discuss, this character is powerfully demonstrated by the reactivity of boron-based molecules with H2, CO, alkynes, alkenes and even with N2.
KW  - boron
KW  - small-molecule activation
KW  - catalysis
KW  - low-valent main group chemistry
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-186317
N1  - This document is the unedited Author’sv ersion of a Submitted Work that was subsequently accepted for publication in Chemical Reviews,copyright ©American Chemical Society after peer review. To access the final edited and published work see https://doi.org/10.1021/acs.chemrev.8b00561.
ER  - 
TY  - INPR
A1  - Lindner, Joachim O.
A1  - Sultangaleeva, Karina
A1  - Röhr, Merle I. S.
A1  - Mitric, Roland
T1  - metaFALCON: A program package for automatic sampling of conical intersection seams using multistate metadynamics
T2  - Journal of Chemical Theory and Computation
N2  - The multistate metadynamics for automatic exploration of conical intersection seams and systematic location of minimum energy crossing points in molecular systems and its implementation into the software package metaFALCON is presented. Based on a locally modified energy gap between two Born–Oppenheimer electronic states as a collective variable, multistate metadynamics trajectories are driven toward an intersection point starting from an arbitrary ground state geometry and are subsequently forced to explore the conical intersection seam landscape. For this purpose, an additional collective variable capable of distinguishing structures within the seam needs to be defined and an additional bias is introduced into the off-diagonal elements of an extended (multistate) electronic Hamiltonian. We demonstrate the performance of the algorithm on the examples of the 1,3-butadiene, benzene, and 9H-adenine molecules, where multiple minimum energy crossing points could be systematically located using the Wiener number or Cremer–Pople parameters as collective variables. Finally, with the example of 9H-adenine, we show that the multistate metadynamics potential can be used to obtain a global picture of a conical intersection seam. Our method can be straightforwardly connected with any ab initio or semiempirical electronic structure theory that provides energies and gradients of the respective electronic states and can serve for systematic elucidation of the role of conical intersections in the photophysics and photochemistry of complex molecular systems, thus complementing nonadiabatic dynamics simulations.
KW  - Computational Chemistry
KW  - Metadynamics
KW  - Hydrogen
KW  - Hydrocarbons
KW  - Chemical Structure
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-199258
UR  - https://doi.org/10.1021/acs.jctc.9b00029
N1  - This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Chemical Theory and Computation, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see Journal of Chemical Theory and Computation 2019, 15, 6, 3450-3460. https://doi.org/10.1021/acs.jctc.9b00029.
ER  - 
TY  - INPR
A1  - Nose, Naoko
A1  - Werner, Rudolf A.
A1  - Ueda, Yuichiro
A1  - Günther, Katharina
A1  - Lapa, Constantin
A1  - Javadi, Mehrbod S.
A1  - Fukushima, Kazuhito
A1  - Edenhofer, Frank
A1  - Higuchi, Takahiro
T1  - Metabolic substrate shift in human induced pluripotent stem cells during cardiac differentiation: Functional assessment using in vitro radionuclide uptake assay
T2  - International Journal of Cardiology
N2  - Background: Recent developments in cellular reprogramming technology enable the production of virtually unlimited numbers of human induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CM). Although hiPSC-CM share various characteristic hallmarks with endogenous cardiomyocytes, it remains a question as to what extent metabolic characteristics are equivalent to mature mammalian cardiomyocytes. Here we set out to functionally characterize the metabolic status of hiPSC-CM in vitro by employing a radionuclide tracer uptake assay. Material and Methods: Cardiac differentiation of hiPSC was induced using a combination of well-orchestrated extrinsic stimuli such as WNT activation (by CHIR99021) and BMP signalling followed by WNT inhibition and lactate based cardiomyocyte enrichment. For characterization of metabolic substrates, dual tracer uptake studies were performed with \(^{18}\)F-2-fluoro-2-deoxy-D-glucose (\(^{18}\)F-FDG) and \(^{125}\)I-β-methyl-iodophenyl-pentadecanoic acid (\(^{125}\)I-BMIPP) as transport markers of glucose and fatty acids, respectively. Results: After cardiac differentiation of hiPSC, in vitro tracer uptake assays confirmed metabolic substrate shift from glucose to fatty acids that was comparable to those observed in native isolated human cardiomyocytes. Immunostaining further confirmed expression of fatty acid transport and binding proteins on hiPSC-CM. Conclusions: During in vitro cardiac maturation, we observed a metabolic shift to fatty acids, which are known as a main energy source of mammalian hearts, suggesting hi-PSC-CM as a potential functional phenotype to investigate alteration of cardiac metabolism in cardiac diseases. Results also highlight the use of available clinical nuclear medicine tracers as functional assays in stem cell research for improved generation of autologous differentiated cells for numerous biomedical applications.
KW  - tracer
KW  - Stammzelle
KW  - induced pluripotent stem cells
KW  - cardiomyocytes
KW  - fatty acid
KW  - stem cell therapy
KW  - hiPSC-CM
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-163320
SN  - 0167-5273
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Markup overlap: Improving Fragmentation Method
N2  - Overlapping is a common word used to describe documents whose structural dimensions cannot be adequately represented using tree structure. For instance a quotation that starts in one verse and ends in another verse. The problem of overlapping hierarchies is a recurring one, which has been addressed by a variety of approaches. There are XML based solutions as well as Non-XML ones. The XML-based solutions are: multiple documents, empty elements, fragmentation, out-of-line markup, JITT and BUVH. And the Non-XML approaches comprise CONCUR/XCONCUR, MECS, LMNL ...etc. This paper presents shortly state-of-the-art in overlapping hierarchies, and introduces two variations on the TEI fragmentation markup that have several advantages.
KW  - XML
KW  - Überlappung
KW  - Fragmentierung
KW  - XML
KW  - Overlapping
KW  - Fragmentation
Y1  - 2010
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-49084
ER  - 
TY  - INPR
A1  - Süß, Jasmin
A1  - Wehner, Johannes G.
A1  - Dostál, Jakub
A1  - Engel, Volker
A1  - Brixner, Tobias
T1  - Mapping of exciton-exciton annihilation in a molecular dimer via fifth-order femtosecond two-dimensional spectroscopy
T2  - Journal of Physical Chemistry Letters
N2  - We present a theoretical study on exciton–exciton annihilation (EEA) in a molecular dimer. This process is monitored using a fifth-order coherent two-dimensional (2D) spectroscopy as was recently proposed by Dostál et al. [Nat. Commun. 9, 2466 (2018)]. Using an electronic three-level system for each monomer, we analyze the different paths which contribute to the 2D spectrum. The spectrum is determined by two entangled relaxation processes, namely, the EEA and the direct relaxation of higher lying excited states. It is shown that the change of the spectrum as a function of a pulse delay can be linked directly to the presence of the EEA process.
KW  - Exziton
KW  - Spektroskopie
KW  - Exciton
KW  - 2Dimensionale Spektroskopie
KW  - EEA
KW  - exciton-exciton
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-178482
UR  - https://aip.scitation.org/doi/full/10.1063/1.5086151
N1  - This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in J. Süß et al.,J. Chem. Phys. 150, 104304 (2019); https://doi.org/10.1063/1.5086151 and may be found at https://doi.org/10.1063/1.5086151
ER  - 
TY  - INPR
A1  - Ruhe, Ernstpeter
T1  - La legende de la ville : l'espace urbain dans la culture francophone issue de l'immigration
N2  - No abstract available.
KW  - Kultur
KW  - Frankreich
KW  - Einwanderung
Y1  - 2001
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-102408
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Java Web Frameworks Which One to Choose?
N2  - This article discusses web frameworks that are available to a software developer in Java language. It introduces MVC paradigm and some frameworks that implement it. The article presents an overview of Struts, Spring MVC, JSF Frameworks, as well as guidelines for selecting one of them as development environment.
KW  - Java Frameworks
KW  - MVC <Software>
KW  - Struts
KW  - Spring
KW  - JSF
Y1  - 2010
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-49407
ER  - 
TY  - INPR
A1  - Böhnke, Julian
A1  - Dellermann, Theresa
A1  - Celik, Mehmet Ali
A1  - Krummenacher, Ivo
A1  - Dewhurst, Rian D.
A1  - Demeshko, Serhiy
A1  - Ewing, William C.
A1  - Hammond, Kai
A1  - Heß, Merlin
A1  - Bill, Eckhard
A1  - Welz, Eileen
A1  - Röhr, Merle I. S.
A1  - Mitric, Roland
A1  - Engels, Bernd
A1  - Meyer, Franc
A1  - Braunschweig, Holger
T1  - Isolation of diradical products of twisted double bonds
T2  - Nature Communications
N2  - Molecules containing multiple bonds between atoms—most often in the form of olefins—are ubiquitous in nature, commerce, and science, and as such have a huge impact on everyday life. Given their prominence, over the last few decades, frequent attempts have been made to perturb the structure and reactivity of multiply-bound species through bending and twisting. However, only modest success has been achieved in the quest to completely twist double bonds in order to homolytically cleave the associated π bond. Here, we present the isolation of double-bond-containing species based on boron, as well as their fully twisted diradical congeners, by the incorporation of attached groups with different electronic properties. The compounds comprise a structurally authenticated set of diamagnetic multiply-bound and diradical singly-bound congeners of the same class of compound.
KW  - diradicals
KW  - diborenes
KW  - carbenes
KW  - boron
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-160248
N1  - Submitted version of Julian Böhnke, Theresa Dellermann, Mehmet Ali Celik, Ivo Krummenacher, Rian D. Dewhurst, Serhiy Demeshko, William C. Ewing, Kai Hammond, Merlin Heß, Eckhard Bill, Eileen Welz, Merle I. S. Röhr, Roland Mitrić, Bernd Engels, Franc Meyer & Holger Braunschweig: Isolation of diborenes and their 90°-twisted diradical congeners. Nature Communications. Volume 9, Article number: 1197 (2018) doi:10.1038/s41467-018-02998-3
ER  - 
TY  - INPR
A1  - Werner, Rudolf A.
A1  - Bundschuh, Ralph A.
A1  - Bundschuh, Lena
A1  - Javadi, Mehrbod S.
A1  - Leal, Jeffrey P.
A1  - Higuchi, Takahiro
A1  - Pienta, Kenneth J.
A1  - Buck, Andreas K.
A1  - Pomper, Martin G.
A1  - Gorin, Michael A.
A1  - Lapa, Constantin
A1  - Rowe, Steven P.
T1  - Interobserver Agreement for the Standardized Reporting System PSMA-RADS 1.0 on \(^{18}\)F-DCFPyL PET/CT Imaging
T2  - Journal of Nuclear Medicine
N2  - Objectives: Recently, the standardized reporting and data system for prostate-specific membrane antigen (PSMA)-targeted positron emission tomography (PET) imaging studies, termed PSMA-RADS version 1.0, was introduced. We aimed to determine the interobserver agreement for applying PSMA-RADS to imaging interpretation of 18F-DCFPyL PET examinations in a prospective setting mimicking the typical clinical work-flow at a prostate cancer referral center. 
Methods: Four readers (two experienced readers (ER, > 3 years of PSMA-targeted PET interpretation experience) and two inexperienced readers (IR, < 1 year of experience)), who had all read the initial publication on PSMA-RADS 1.0, assessed 50 18F-DCFPyL PET/computed tomography (CT) studies independently. Per scan, a maximum of 5 target lesions were selected by the observers and a PSMA-RADS score for every target lesion was recorded. No specific pre-existing conditions were placed on the selection of the target lesions, although PSMA-RADS 1.0 suggests that readers focus on the most highly avid or largest lesions. An overall scan impression based on PSMA-RADS was indicated and interobserver agreement rates on a target lesion-based, on an organ-based, and on an overall PSMA-RADS score-based level were computed.
Results: The number of target lesions identified by each observer were as follows: ER 1, 123; ER 2, 134; IR 1, 123; and IR 2, 120. Among those selected target lesions, 125 were chosen by at least two individual observers (all four readers selected the same target lesion in 58/125 (46.4%) instances, three readers in 40/125 (32%) and two observers in 27/125 (21.6%) instances). The interobserver agreement for PSMA-RADS scoring among identical target lesions was good (intraclass correlation coefficient (ICC) for four, three and two identical target lesions, ≥0.60, respectively). For lymph nodes, an excellent interobserver agreement was derived (ICC=0.79). The interobserver agreement for an overall scan impression based on PSMA-RADS was also excellent (ICC=0.84), with a significant difference for ER (ICC=0.97) vs. IR (ICC=0.74, P=0.005).
Conclusions: PSMA-RADS demonstrates a high concordance rate in this study, even among readers with different levels of experience. This suggests that PSMA-RADS can be effectively used for communication with clinicians and can be implemented in the collection of data for large prospective trials.
KW  - 18F-DCFPyL
KW  - Positronen-Emissions-Tomografie
KW  - PSMA-RADS
KW  - interreader
KW  - interobserver
KW  - PSMA
KW  - prostate cancer
KW  - RADS
KW  - reporting and data system
KW  - PET
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-167788
SN  - 0161-5505
N1  - This research was originally published in JNM. Rudolf A. Werner, Ralph A. Bundschuh, Lena Bundschuh, Mehrbod S. Javadi, Jeffrey P. Leal, Takahiro Higuchi, Kenneth J. Pienta, Andreas K. Buck, Martin G. Pomper, Michael A. Gorin, Constantin Lapa and Steven P. Rowe. Interobserver Agreement for the Standardized Reporting System PSMA-RADS 1.0 on 18F-DCFPyL PET/CT Imaging. J Nucl Med 2018;59:1857-1864 © SNMMI.
ER  - 
TY  - INPR
A1  - Weithmann, Sabrina
A1  - Klug, Stefan
T1  - Integrative Sustainable Concepts for Individual Mobility in Asia - A Qualitative Analysis of Carsharing and Taxi Services in Singapore
N2  - Singapore has a unique and proactive approach towards managing the national transport system. This article explores the integrative approach of carsharing into the overall transport system from an individual sustainable mobility perspective. The authors argue that for Singapore, taxi services are the strongest competitor for the establishment of free-floating carsharing systems. Low taxi fares and a high distribution rate provide easy access for consumers and show great advantages in correspondence with the prevalent transport measures. Furthermore, the Singaporean government considers taxi services as part of public transport that helps bridging public transportation gaps in door-to-door travel. The article draws on literature review and expert interviews to evaluate the current market conditions and analyse the pros and cons of carsharing systems and taxi services as integrated part of the public transport system. The authors conclude by stating that from a sustainable perspective, the goal is to replace private car ownership. Provision of multi modal choices and therefore co-existence of different individual transport opportunities is indispensable.
KW  - transport
KW  - mobility
KW  - Singapore
KW  - taxi
KW  - carsharing
KW  - sustainability
Y1  - 2013
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-145982
ER  - 
TY  - INPR
A1  - Auerhammer, Dominic
A1  - Arrowsmith, Merle
A1  - Bissinger, Philipp
A1  - Braunschweig, Holger
A1  - Dellermann, Theresa
A1  - Kupfer, Thomas
A1  - Lenczyk, Carsten
A1  - Roy, Dipak
A1  - Schäfer, Marius
A1  - Schneider, Christoph
T1  - Increasing the Reactivity of Diborenes: Derivatization of NHC- Supported Dithienyldiborenes with Electron-Donor Groups
T2  - Chemistry, A European Journal
N2  - A series of NHC-supported 1,2-dithienyldiborenes was synthesized from the corresponding (dihalo)thienylborane NHC precursors. NMR and UV-vis spectroscopic data, as well as X-ray crystallographic analyses, were used to assess the electronic and steric influences on the B=B double bond of various NHCs and electron-donating substituents on the thienyl ligands. Crystallographic data showed that the degree of coplanarity of the diborene core and thienyl groups is highly dependent on the sterics of the substituents. Furthermore, any increase in the electron- donating ability of the substituents resulted in the destabilization of the HOMO and greater instability of the resulting diborenes.
KW  - diborenes
KW  - N-heterocyclic carbenes
KW  - electron donors
KW  - structural analysis
KW  - spectroscopy
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-155419
N1  - This is the pre-peer reviewed version of the following article: Auerhammer, D., Arrowsmith, M., Bissinger, P., Braunschweig, H., Dellermann, T., Kupfer, T., Lenczyk, C., Roy, D. K., Schäfer, M. and Schneider, C. (2017), Increasing the Reactivity of Diborenes: Derivatization of NHC-Supported Dithienyldiborenes with Electron-Donor Groups. Chem. Eur. J.. doi:10.1002/chem.201704669, which has been published in final form at doi:10.1002/chem.201704669. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
ER  - 
TY  - INPR
A1  - Baumann, Christoph
A1  - Willaschek, Christian
A1  - Kertess-Szlaninka, Tuende
A1  - Lang, Johanna
A1  - Buchhorn, Reiner
T1  - Implementing high energy liquid nutrition, omega-3 fatty acids and nutritional supplements for the treatment of anorexia nervosa
N2  - Objective: To examine the effects of two different treatment approaches on the course of anorexia nervosa (AN) over time.

Methods:  The subjects were 27 hospitalized AN patients (mean age: 14.91 years; mean BMI: 14.58; mean height: 163.56) . In our retrospective analysis we compared weight gain in two groups. While one group was treated with a standard oral refeeding protocol (historical control) through January 2013 (N=16), the second group (highly standardized refeeding protocol) received a high energy liquid nutrition and nutritional supplements including omega-3 fatty acids (N=11).

Results: On admission, the two groups were comparable in terms of height, weight, age and heart rate. At the end of our monitoring time frame of 25 days, weight gain was 121.4% higher in the highly standardized refeeding protocol group than in the historical control group (66.5 ±52.4 vs 147.3 ±55.7 grams/day; t-Test p=0.004; CI95%: 29.3-132.2). About 45% of our patients stated they were vegetarians at admission. However, we could not identify a vegetarian diet as a statistically significant negative prognostic factor for weight gain.

Discussion:  The highly standardized refeeding protocol seems to be helpful in malnourished AN patients to improve weight gain without enhancing the risk of a refeeding syndrome. Because of an increasing energy turnover, caloric intake should be adjusted during refeeding.
KW  - Anorexia nervosa
KW  - refeeding syndrome
KW  - vegetarians
KW  - Anorexia nervosa
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-150430
ER  - 
TY  - INPR
A1  - Dandekar, Thomas
T1  - How do qubits interact? Implications for fundamental physics
N2  - Proteins fold in water and achieve a clear structure despite a huge parameter space. Inside a (protein) crystal you have everywhere the same symmetries as there is everywhere the same unit cell. We apply this to qubit interactions to do fundamental physics: 
We modify cosmological inflation: we replace the big bang by a condensation event in an eternal all-encompassing ocean of free qubits. Rare interactions of qubits in the ocean provide a nucleus or seed for a new universe (domain), as the qubits become decoherent and freeze-out into defined bit ensembles. Next, we replace inflation by a crystallization event triggered by the nucleus of interacting qubits to which rapidly more and more qubits attach (like in everyday crystal growth). The crystal unit cell guarantees same symmetries (and laws of nature) everywhere inside the crystal, no inflation scenario is needed.
Interacting qubits solidify, quantum entropy decreases in the crystal, but increases outside in the ocean. The interacting qubits form a rapidly growing domain where the n**m states become separated ensemble states, rising long-range forces stop ultimately further growth. After this very early modified steps, standard cosmology with the hot fireball model takes over. Our theory agrees well with lack of inflation traces in cosmic background measurements. 
Applying the Hurwitz theorem to qubits we prove that initiation of qubit interactions can only be 1,2,4 or 8-dimensional (agrees with E8 symmetry of our universe). Repulsive forces at ultrashort distances result from quantization, long-range forces limit crystal growth. The phase space of the crystal agrees with the standard model of the basic four forces for n quanta. It includes all possible ensemble combinations of their quantum states m, a total of n**m states. We describe a six-bit-ensemble toy model of qubit interaction and the repulsive forces of qubits for ultra-short distances. Neighbor states reach according to transition possibilities (S-matrix) with emergent time from entropic ensemble gradients. However, in our four dimensions there is only one bit overlap to neighbor states left (almost solid, only below Planck´s quantum is liquidity left). The E8 symmetry of heterotic string theory has six curled-up, small dimensions. These keep the qubit crystal together and never expand. We give energy estimates for free qubits vs bound qubits, misplacements in the qubit crystal and entropy increase during qubit crystal formation. 
Implications are fundamental answers, e.g. why there is fine-tuning for life-friendliness, why there is string theory with rolled-up dimension and so many free parameters. We explain by cosmological crystallization instead of inflation the early creation of large-scale structure of voids and filaments, supercluster formation, galaxy formation, and the dominance of matter: the unit cell of our crystal universe has a matter handedness avoiding anti-matter. Importantly, crystals come and go in the qubit ocean. This selects for the ability to lay seeds for new crystals, for self-organization and life-friendliness. Vacuum energy gets appropriate low inside the crystal by its qubit binding energy, outside it is 10**20 higher. Scalar fields for color interaction/confinement and gravity could be derived from the qubit-interaction field.
KW  - protein folding
KW  - qubit interaction
KW  - early cosmology
KW  - qubit
KW  - modified inflation
KW  - crystallization
KW  - decoherence
Y1  - 2024
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-357435
ER  - 
TY  - INPR
A1  - Schmidt, Karin Stella
T1  - Historische Aufnahmen aus dem Vorderen Orient. Teil 3: Türkei (1968, 1975, 1978)
N2  - Mit diesem Beitrag ("Türkei") liegt Teil 3 der dreiteiligen Online-Publikation "Historische Aufnahmen aus dem Vorderen Orient" vor, die als Zeitdokumente Bilder und begleitende Texte von Reisen aus den Jahren 1968 bis 1979 in einige Länder des Nahen Ostens vorstellt. Die Bildauswahl zeigt v. a. Kunstobjekte und Landschafts- bzw. Architekturaufnahmen mit Bezug zur Archäologie und Kunstgeschichte.
KW  - Archäologie
KW  - Historische Aufnahme
KW  - Türkei
Y1  - 2014
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-98644
ER  - 
TY  - INPR
A1  - Schmidt, Karin Stella
T1  - Historische Aufnahmen aus dem Vorderen Orient. Teil 2: Iraq und Iran (1971)
N2  - Mit diesem Beitrag ("Iraq und Iran") liegt Teil 2 der dreiteiligen Online-Publikation "Historische Aufnahmen aus dem Vorderen Orient" vor, die als Zeitdokumente Bilder und begleitende Texte von Reisen aus den Jahren 1968 bis 1979 in einige Länder des Nahen Ostens vorstellt. Die Bildauswahl zeigt v. a. Kunstobjekte und Landschafts- bzw. Architekturaufnahmen mit Bezug zur Archäologie und Kunstgeschichte.
KW  - Archäologie
KW  - Historische Aufnahme
KW  - Irak
KW  - Iran
KW  - Persien
KW  - Iraq
Y1  - 2014
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-95471
ER  - 
TY  - INPR
A1  - Schmidt, Karin Stella
T1  - Historische Aufnahmen aus dem Vorderen Orient. Teil 1: Syrien und Jordanien (1979)
N2  - Mit diesem Beitrag ("Syrien und Jordanien") liegt Teil 1 der dreiteiligen Online-Publikation "Historische Aufnahmen aus dem Vorderen Orient" vor, die als Zeitdokumente Bilder und begleitende Texte von Reisen aus den Jahren 1968 bis 1979 in einige Länder des Nahen Ostens vorstellt. Die Bildauswahl zeigt v. a. Kunstobjekte und Landschafts- bzw. Architekturaufnahmen mit Bezug zur Archäologie und Kunstgeschichte.
KW  - Historische Aufnahme
KW  - Archäologie
KW  - Jordanien
KW  - Syrien
Y1  - 2014
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-94108
ER  - 
TY  - INPR
A1  - Sednev, Maksim V.
A1  - Liaqat, Anam
A1  - Höbartner, Claudia
T1  - High-Throughput Activity Profiling of RNA-Cleaving DNA Catalysts by Deoxyribozyme Sequencing (DZ-seq)
T2  - Journal of the American Chemical Society
N2  - RNA-cleaving deoxyribozymes have found broad application as useful tools for RNA biochemistry. However, tedious in vitro selection procedures combined with laborious characterization of individual candidate catalysts hinder the discovery of novel catalytic motifs. Here, we present a new high-throughput sequencing method, DZ-seq, which directly measures activity and localizes cleavage sites of thousands of deoxyribozymes. DZ-seq exploits A-tailing followed by reverse transcription with an oligo-dT primer to capture the cleavage status and sequences of both deoxyribozyme and RNA substrate. We validated DZ-seq by conventional analytical methods and demonstrated its utility by discovery of novel deoxyribozymes that allow for cleaving challenging RNA targets or the analysis of RNA modification states.
KW  - RNA-Cleaving Deoxyribozymes
KW  - High-Throughput Sequencing Method, DZ-seq
KW  - Analysis of RNA Modifications
Y1  - 2022
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-258520
ER  - 
TY  - INPR
A1  - Böhnke, Julian
A1  - Braunschweig, Holger
A1  - Jiménez-Halla, Oscar
A1  - Krummenacher, Ivo
A1  - Stennett, Tom E.
T1  - Half-Sandwich Complexes of an Extremely Electron-Donating, Re-dox-Active η\(^6\)-Diborabenzene Ligand
T2  - Journal of the American Chemical Society
N2  - The heteroarene 1,4-bis(CAAC)-1,4-diborabenzene (1; CAAC = cyclic (alkyl)(amino)carbene) reacts with [(MeCN)\(_3\)M(CO)\(_3\)] (M = Cr, Mo, W) to yield half-sandwich complexes of the form [(η\(^6\)-diborabenzene)M(CO)\(_3\)] (M = Cr (2), Mo (3), W (4)). Investigation of the new complexes with a combination of X-ray diffraction, spectroscopic methods and DFT calculations shows that ligand 1 is a remarkably strong electron donor. In particular, [(η\(^6\)-arene)M(CO)\(_3\)] complexes of this ligand display the lowest CO stretching frequencies yet observed for this class of complex. Cyclic voltammetry on complexes 2-4 revealed one reversi- ble oxidation and two reversible reduction events in each case, with no evidence of ring-slippage of the arene to the η\(^4\) binding mode. Treatment of 4 with lithium metal in THF led to identification of the paramagnetic complex [(1)W(CO)\(_3\)]Li·2THF (5). Compound 1 can also be reduced in the absence of a transition metal to its dianion 1\(^{2–}\), which possesses a quinoid-type structure.
KW  - half-sandwich complexes
KW  - transition metal complex
KW  - boron
KW  - redox reactions
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-156766
N1  - This document is the unedited Author's version of a Submitted Work that was subsequently accepted for publication in Journal of the American Chemical Society, copyright © 2017 American Chemical Society after peer review. To access the final edited and published work see dx.doi.org/10.1021/jacs.7b12394.
ER  - 
TY  - INPR
A1  - Ott, Christine
T1  - Geschlechterstereotypen auf der Spur. Ein Plädoyer für mehr Linguistik in der Bildungsforschung
T2  - Bildung und Differenz. Historische Analysen zu einem aktuellen Problem
N2  - Kein Abstract verfügbar.
KW  - Geschlechterforschung
KW  - Stereotype
KW  - Schulbuch
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-210503
ER  - 
TY  - INPR
A1  - Volkmann, Armin
A1  - Bock, Sina
A1  - Seibt, Daniela
A1  - Kümmet, Sonja
A1  - Weiß, Michael
A1  - Dietz, Elisabeth
A1  - Huss, Patrick
A1  - Heer, Anna
A1  - El Hassan, Naitelqadi
T1  - Geisteswissenschaft und Geografische Informationssysteme (GIS): Erstellung von Kartierungen mit kommerzieller und Open Source Software im Vergleich
T1  - Digital Humanities and Geographic Information Systems (GIS): Making maps with commercial and open source software
N2  - Der Einsatz von Geographischen Informationssystemen (GIS) bietet auch für die Geisteswissenschaften zahlreiche Ansätze zur Generierung von neuem Wissen. Die GIS-Software ist jedoch unterschiedlich geeignet für geisteswissenschaftliche Fragestellungen. Getestet wurden daher zwei kommerzielle und vier Open Source GIS-Programme: MapInfo, ArcGIS, Quantum GIS, gvSIG, DIVA-GIS und SAGA. MapInfo zeichnet sich besonders für GIS-Anfänger durch seine große Benutzerfreundlichkeit aus. Jedoch sind die Anschaffungskosten recht hoch. ArcGIS weist den größten Nutzungsumfang auf, wobei jedoch keine oder kaum eine „intuitive“ Nutzung möglich ist. Zudem sind die laufenden Kosten durch aufwändige Abo-Lizenzverträge besonders hoch. Quantum GIS ist eine freie Software, die benutzerfreundlich ist und auch Anfängern einen leichten Einstieg ermöglicht. Hunderte Erweiterungen machen Quantum GIS sehr leistungsstark und universal einsetzbar. gvSIG ist nicht ganz leicht zu bedienen, da zudem die Dokumentation nur fragmentarisch vorliegt. Der große Funktionsumfang macht es jedoch zu einem vollwertigen GIS, wenn auch manch ergänzende Funktion fehlt. DIVA-GIS ermöglicht einen schnellen Einstieg durch seine gute Dokumentation. Man gelangt jedoch recht bald an die Grenzen des Nutzungsumfangs durch die eingeschränkte Funktionalität. SAGA hingegen erfüllte alle hier gestellten Anforderungen, sodass es, trotz der geringeren Anzahl von Erweiterungen, zusammen mit Quantum GIS als Open Source eine echte Alternative zu kommerziellen GIS-Programmen darstellt.
N2  - The use of Geographic Information Systems (GIS) is also in the Humanities an interesting method to analyze questions of space and time. For creating new results, we need to search reputed GIS software for our regular use. Within this article we tested two commercial and four open source GIS programs: MapInfo, ArcGIS, Quantum GIS, gvSIG, DIVA-GIS and SAGA. ArcGIS has the greatest functionality. But it is very expensive and not easy to use. MapInfo is particularly distinguished for GIS-beginners due to its large usability. However, the cost is quite high. Quantum GIS is a free software that is user friendly, and even for beginners easy to get started. gvSIG is not very easy to use and some ancillary functions are missing. DIVA-GIS provides a quick start by its good documentation. But the functionality is limited pretty soon. Many functions make SAGA to a full-fledged GIS, despite the lower number of enhancements. Hundreds extensions make Quantum GIS very powerful and versatile. Altogether for the Humanities the open source Quantum GIS represents a viable alternative to expensive commercial GIS software.
KW  - Geoinformationssystem
KW  - Literaturwissenschaft
KW  - Open Source
KW  - Digital Humanities
KW  - Geographisches Informationssystem
KW  - GIS
KW  - Digital Humanities
KW  - Geographic Information Systems
KW  - GIS
KW  - Literary Studies
KW  - Open Source Software
Y1  - 2012
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-74470
ER  - 
TY  - INPR
A1  - Arrowsmith, Merle
A1  - Braunschweig, Holger
A1  - Stennett, Tom
T1  - Formation and Reactivity of Electron-Precise B–B Single and Multiple Bonds
T2  - Angewandte Chemie, International Edition
N2  - Recent years have seen rapid advances in the chemistry of small molecules containing electron-precise boron-boron bonds. This review provides an overview of the latest methods for the controlled synthesis of B–B single and multiple bonds as well as the ever-expanding range of reactivity displayed by the latter.
KW  - Boron
KW  - Main-group chemistry
KW  - Multiple bonding
KW  - Organoboron chemistry
KW  - Transition metals
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-145631
N1  - This is the pre-peer reviewed version of the following article: Angew.Chem. Int. Ed. 2017, 56,96–115, which has been published in final form at 10.1002/anie.201610072. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
N1  - Submitted Version
VL  - 56
IS  - 1
ER  - 
TY  - INPR
A1  - Yin, Yafu
A1  - Werner, Rudolf A.
A1  - Higuchi, Takahiro
A1  - Lapa, Constantin
A1  - Pienta, Kenneth J.
A1  - Pomper, Martin G.
A1  - Gorin, Michael A.
A1  - Rowe, Steven P.
T1  - Follow-Up of Lesions with Equivocal Radiotracer Uptake on PSMA-Targeted PET in Patients with Prostate Cancer: Predictive Values of the PSMA-RADS-3A and PSMARADS- 3B Categories
T2  - Journal of Nuclear Medicine
N2  - Purpose: Prostate-specific membrane antigen (PSMA)-targeted positron emission tomography (PET) imaging has become commonly utilized in patients with prostate cancer (PCa). The PSMA reporting and data system version 1.0 (PSMA-RADS version 1.0) categorizes lesions on the basis of the likelihood of PCa involvement, with PSMA-RADS-3A (soft tissue) and PSMA-RADS-3B (bone) lesions being indeterminate for the presence of disease. We retrospectively reviewed the imaging follow-up of such lesions to determine the rate at which they underwent changes suggestive of underlying PCa.
Methods: PET/CT imaging with \(^{18}\)F-DCFPyL was carried out in 110 patients with PCa and lesions were categorized according to PSMA-RADS Version 1.0. 56/110 (50.9%) patients were determined to have indeterminate PSMA-RADS-3A or PSMA-RADS-3B lesions and 22/56 (39.3%) patients had adequate follow-up to be included in the analysis. The maximum standardized uptake values (SUV\(_{max}\)) of the lesions were obtained and the ratios of SUV\(_{max}\) of the lesions to SUV\(_{mean}\) of blood pool (SUV\(_{max}\)-lesion/SUV\(_{mean}\)-bloodpool) were calculated. Pre-determined criteria were used to evaluate the PSMA-RADS-3A and PSMA-RADS-3B lesions on follow-up imaging to determine if they demonstrated evidence of underlying malignancy.
Results: A total of 46 lesions in 22 patients were considered indeterminate for PCa (i.e. PSMA-RADS-3A (32 lesions) or PSMA-RADS-3B (14 lesions)) and were evaluable on follow-up imaging. 27/46 (58.7%) lesions demonstrated changes on follow-up imaging consistent with the presence of underlying PCa at baseline. These lesions included 24/32 (75.0%) PSMA-RADS-3A lesions and 3/14 (21.4%) lesions categorized as PSMA-RADS-3B. The ranges of SUVmax and SUVmax-lesion/SUVmean-bloodpool overlapped between those lesions demonstrating changes consistent with malignancy on follow-up imaging and those lesions that remained unchanged on follow-up.
Conclusion: PSMA-RADS-3A and PSMA-RADS-3B lesions are truly indeterminate in that proportions of findings in both categories demonstrate evidence of malignancy on follow-up imaging. Overall, PSMA-RADS-3A lesions are more likely than PSMA-RADS-3B lesions to represent sites of PCa and this information should be taken into when guiding patient therapy.
KW  - PSMA-RADS-3B
KW  - Positronen-Emissions-Tomografie
KW  - prostate-specific membrane antigen
KW  - prostate cancer
KW  - PSMA-targeted PET
KW  - PSMA-RADS-3A
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-167594
SN  - 0161-5505
N1  - This research was originally published in JNM. Yafu Yin, Rudolf A. Werner, Takahiro Higuchi, Constantin Lapa, Kenneth J. Pienta, Martin G. Pomper, Michael A. Gorin, Steven P. Rowe.
Follow-Up of Lesions with Equivocal Radiotracer Uptake on PSMA-Targeted PET in Patients with Prostate Cancer: Predictive Values of the PSMA-RADS-3A and PSMA-RADS-3B Categories. J Nucl Med. 2019;60:511-516 © SNMMI.
ER  - 
TY  - INPR
A1  - Müller, Stefan
A1  - Draeger, Simon
A1  - Ma, Kiaonan
A1  - Hensen, Matthias
A1  - Kenneweg, Tristan
A1  - Pfeiffer, Walter
A1  - Brixner, Tobias
T1  - Fluorescence-Detected Two-Quantum and One-Quantum-Two-Quantum 2D Electronic Spectroscopy
T2  - Journal of Physical Chemistry Letters
N2  - We demonstrate two-quantum (2Q) coherent two-dimensional (2D)electronic spectroscopy using a shot-to-shot-modulated pulse shaper and fluorescence detection. Broadband collinear excitation is realized with the supercontinuum output of an argon-filled hollow-core fiber, enabling us to excite multiple transitions simultaneously in the visible range. The 2Q contribution is extracted via a three-pulse sequence with 16-fold phase cycling and simulated employing cresyl violet as a model system. Furthermore, we report the first experimental realization of one-quantum−two-quantum (1Q-2Q) 2D spectroscopy, offering less congested spectra as compared with the 2Q implementation. We avoid scattering artifacts and nonresonant solvent contributions by using fluorescence as the observable. This allows us to extract quantitative information about doubly excited states that agree with literature expectations. The high sensitivity and background-free nature of fluorescence detection allow for a general applicability of this method to many other systems.
KW  - Zweidimensionale Spektroskopie
KW  - elektronisch angeregte Zustände
KW  - Doppelquantenkohärenz
KW  - Fluoreszenz
KW  - Optische Spektroskopie
KW  - Molekülzustand
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-173468
UR  - https://pubs.acs.org/doi/10.1021/acs.jpclett.8b00541
ER  - 
TY  - INPR
A1  - Röder, Anja
A1  - Humeniuk, Alexander
A1  - Giegerich, Jens
A1  - Fischer, Ingo
A1  - Poisson, Lionel
A1  - Mitric, Roland
T1  - Femtosecond Time-Resolved Photoelectron Spectroscopy of the Benzyl Radical
T2  - Physical Chemistry Chemical Physics
N2  - We present a joint experimental and computational study of the nonradiative deactivation of the benzyl radical, C\(_7\)H\(_7\) after UV excitation. Femtosecond time-resolved photoelectron imaging was applied to investigate the photodynamics of the radical. The experiments were accompanied by excited state dynamics simulations using surface hopping. Benzyl has been excited at 265 nm into the D-band (\(\pi\pi^*\)) and the dynamics was probed using probe wavelengths of 398 nm or 798 nm.   With 398 nm probe a single time constant of around 70-80 fs was observed. When the dynamics was probed at 798 nm, a second time constant \(\tau_2\)=1.5 ps was visible. It is assigned to further non-radiative deactivation to the lower-lying D\(_1\)/D\(_2\) states.
KW  - Nonadiabatic dynamics
KW  - time-resolved photoelectron spectroscopy
KW  - benzyl radical
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-159474
UR  - http://dx.doi.org/10.1039/C7CP01437F
N1  - Submitted version
ER  - 
TY  - INPR
A1  - Ruhe, Ernstpeter
T1  - Fantasia en Alsace : Les Nuits de Strasbourg d’Assia Djebar
N2  - No abstract available.
KW  - Djebar, Assia / Les nuits de Strasbourg
Y1  - 2000
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-102397
ER  - 
TY  - INPR
A1  - Röder, Anja
A1  - Petersen, Jens
A1  - Issler, Kevin
A1  - Fischer, Ingo
A1  - Mitric, Roland
A1  - Poisson, Lionel
T1  - Exploring the Excited-State Dynamics of Hydrocarbon Radicals, Biradicals and Carbenes using Time-Resolved Photoelectron Spectroscopy and Field-Induced Surface Hopping Simulations
T2  - The Journal of Physical Chemistry A
N2  - Reactive hydrocarbon molecules like radicals, biradicals and carbenes are not only key players in combustion processes and interstellar and atmospheric chemistry, but some of them are also important intermediates in organic synthesis. These systems typically possess many low-lying, strongly coupled electronic states. After light absorption, this leads to rich photodynamics characterized by a complex interplay of nuclear and electronic motion, which is still not comprehensively understood and not easy to investigate both experimentally and theoretically. In order to elucidate trends and contribute to a more general understanding, we here review our recent work on excited-state dynamics of open-shell hydrocarbon species using time-resolved photoelectron spectroscopy and field-induced surface hopping simulations, and report new results on the excited-state dynamics of the tropyl and the 1-methylallyl radical. The different dynamics are compared, and the difficulties and future directions of time-resolved photoelectron spectroscopy and excited state dynamics simulations of open-shell hydrocarbon molecules are discussed.
KW  - Excited state dynamics
KW  - Hydrocarbon radicals
KW  - time-resolved photoelectron spectroscopy
KW  - field-induced surface hopping
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-198734
UR  - https://doi.org/10.1021/acs.jpca.9b06346
N1  - This document is the unedited Author’s version of a  Submitted Work that was subsequently accepted for  publication in Journal of Physical Chemistry A, copyright © American Chemical Society after peer review. To access the final edited and published work see Journal of Physical Chemistry A 2019, 123, 50, 10643-10662. https://doi.org/10.1021/acs.jpca.9b06346.
ER  - 
TY  - INPR
A1  - Dietzsch, Julia
A1  - Jayachandran, Ajay
A1  - Mueller, Stefan
A1  - Höbartner, Claudia
A1  - Brixner, Tobias
T1  - Excitonic coupling of RNA-templated merocyanine dimer studied by higher-order transient absorption spectroscopy
T2  - Chemical Communications
N2  - We report the synthesis and spectroscopic analysis of RNA containing the barbituric acid merocyanine rBAM2 as a nucleobase surrogate. Incorporation into RNA strands by solid-phase synthesis leads to fluorescence enhancement compared to the free chromophore. In addition, linear absorption studies show the formation of an excitonically coupled H-type dimer in the hybridized duplex. Ultrafast third- and fifth-order transient absorption spectroscopy of this non-fluorescent dimer suggests immediate (sub-200 fs) exciton transfer and annihilation due to the proximity of the rBAM2 units.
KW  - Barbituric Acid Merocyanines
KW  - Nucleobase Surrogate Incorporation
KW  - Higher-order Transient Absorption Spectroscopy
KW  - rBAM2-labeled RNA strands
Y1  - 2023
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-327772
ET  - submitted version
ER  - 
TY  - INPR
A1  - Titov, Evgenii
A1  - Humeniuk, Alexander
A1  - Mitric, Roland
T1  - Exciton localization in excited-state dynamics of a tetracene trimer: A surface hopping LC-TDDFTB study
T2  - Physical Chemistry Chemical Physics
N2  - Excitons in the molecular aggregates of chromophores are key participants in important processes such as photosynthesis or the functioning of organic photovoltaic devices. Therefore, the exploration of exciton dynamics is crucial. Here we report on exciton localization during excited-state dynamics of the recently synthesized tetracene trimer [Liu et al., Org. Lett., 2017, 19, 580]. We employ the surface hopping approach to nonadiabatic molecular dynamics in conjunction with the long-range corrected time-dependent density functional tight binding (LC-TDDFTB) method [Humeniuk and Mitrić, Comput. Phys. Commun., 2017, 221, 174]. Utilizing a set of descriptors based on the transition density matrix, we perform comprehensive analysis of exciton dynamics. The obtained results reveal an ultrafast exciton localization to a single tetracene unit of the trimer during excited-state dynamics, along with exciton transfer between units.
KW  - Exciton dynamics
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-198680
UR  - https://doi.org/10.1039/C8CP05240A
N1  - Accepted Manuscript
ER  - 
TY  - INPR
A1  - Wohlgemuth, Matthias
A1  - Mitric, Roland
T1  - Excitation energy transport in DNA modelled by multi-chromophoric field-induced surface hopping
T2  - Physical Chemistry Chemical Physics
N2  - Absorption of ultraviolet light is known as a major source of carcinogenic mutations of DNA. The underlying processes of excitation energy dissipation are yet not fully understood. In this work we provide a new and generally applicable route for studying the excitation energy transport in multi-chromophoric complexes at an atomistic level. The surface-hopping approach in the frame of the extended Frenkel exciton model combined with QM/MM techniques allowed us to simulate the photodynamics of the alternating (dAdT)10 : (dAdT)10 double-stranded DNA. In accordance with recent experiments, we find that the excited state decay is multiexponential, involving a long and a short component which are due to two distinct mechanisms: formation of long-lived delocalized excitonic and charge transfer states vs. ultrafast decaying localized states resembling those of the bare nucleobases. Our simulations explain all stages of the ultrafast photodynamics including initial photoexcitation, dynamical evolution out of the Franck-Condon region, excimer formation and nonradiative relaxation to the ground state.
KW  - Photodynamics
KW  - DNA
Y1  - 2020
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-209467
ET  - submitted version
ER  - 
TY  - INPR
A1  - Müller-Brandeck-Bocquet, Gisela
T1  - EU-Europa darf nicht scheitern – Besinnt Euch, Bürger!
T1  - EU-Europe must not fail – bethink yourselves, citizens!
N2  - Die Europäische Union (EU) ist derzeit ernsthaft in Gefahr. Zahlreiche Krisen wie der fast-Grexit letztes Jahr und der mögliche Brexit, die Euro- und Flüchtlingskrise könnten die EU scheitern lassen. Außerdem wenden sich immer mehr Bürger von der EU ab und wählen nationalistische bzw. populistische Parteien mit ihren simplizistischen Parolen. Der Beitrag analysiert zunächst diesen alarmierenden Krisenkontext. Es wird herausgearbeitet, dass die EU und ihre Mitgliedstaaten bislang keine ausreichenden Antworten auf diese gravierenden Herausforderungen zu geben wissen und es all überall am Willen, an Entschlossenheit, an Solidarität und Loyalität mangelt.
Der Beitrag argumentiert, dass Europa nicht scheitern darf, weil allzu viel auf dem Spiel steht. Er appelliert an die europäischen Nationen, sich daran zu erinnern, dass nur ein geeintes Europa dem Kontinent den inneren und äußeren Frieden, gemeinsamen Wohlstand und Zukunfts- und Überlebensfähigkeit sichern kann. Daher wäre ein Scheitern Europas ein aberwitziger Irrweg und ein tödlicher Fehler.
Um den europäischen Mitbürgern die aktuelle Gefahrenlage anschaulich vor Augen zu führen und sie wachzurütteln, nimmt der Beitrag in seiner zweiten Hälfte den Duktus eines Aufrufs an. Die meisten der EU-Nationen werden direkt angesprochen und auf ihre sträfliche Gleichgültigkeit sowie ihre je eigenen nationalen Dünkel und Egoismen im Umgang mit Europa befragt. Besonders kritisch wird mit jenen EU-Bürger umgegangen, die durch ihr Wahlverhalten nationalistischen Kräften mit ihrer Absage an Europa Vorschub leisten. 
Der Aufruf endet mit einem als „EU-Märchen“ bezeichneten fiktiv-optimistischen Ausblick.
N2  - The European Union (EU) is seriously at risk these days. Numerous crisis such as the near-to Grexit last year and the presently looming Brexit, the Euro- and refugees-crisis could lead to a failure of the EU. Furthermore, a growing number of citizens are turning away from the Union and are voting for nationalist or populist parties and their simplistic slogans. This contribution starts with analyzing the alarming crisis shaken background of the EU. It gives evidence to the fact that the EU and its member states have not yet found convincing answers to all of these serious challenges and that the necessary political will and decisiveness, solidarity and loyalty are grievously missing.
The paper argues that Europe must not fail because too much is at stake. It appeals to the European nations to remember that solely a united Europe can guarantee inner and outer peace, commonly shared wealth and the capabilities to master the future and enable our continent to survive. Hence, a failure of Europe would mean a dramatic meander and a deadly mistake.
With the intention to demonstrate the present dangers very clearly to the European citizens, and in order to shake them up, this contribution changes in its second half into a proclamation. Most of the European nations are addressed directly and questioned with regard to their scandalous indifference and their specific national egoism and arrogance when dealing with the EU. Those EU-citizens find themselves confronted with specifically critical questions who – by their electoral behavior – are strengthening nationalistic forces with their rejection of Europe.
The proclamation concludes with a fictitiously optimistic prospect which is labelled as a ‘EU-fairy tale’.
KW  - Jean Monnet
KW  - Marine Le Pen
KW  - Ode an die Freude
KW  - Europa
KW  - Flüchtlingskrise
KW  - refugee crises
KW  - Dublin-III-Abkommen
KW  - Europas Scheitern
KW  - Europe’s failure
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-127271
ER  - 
TY  - INPR
A1  - Wang, Sunewang R.
A1  - Arrowsmith, Merle
A1  - Böhnke, Julian
A1  - Braunschweig, Holger
A1  - Dellermann, Theresa
A1  - Dewhurst, Rian D.
A1  - Kelch, Hauke
A1  - Krummenacher, Ivo
A1  - Mattock, James D.
A1  - Müssig, Jonas H.
A1  - Thiess, Torsten
A1  - Vargas, Alfredo
A1  - Zhang, Jiji
T1  - Engineering a Small HOMO-LUMO Gap and Intramolecular B–B Hydroarylation by Diborene/Anthracene Orbital Intercalation
T2  - Angewandte Chemie, International Edition
N2  - The diborene 1 was synthesized by reduction of a mixture of 1,2-di-9-anthryl-1,2-dibromodiborane(4) (6) and trimethylphosphine with potassium graphite. The X-ray structure of 1 shows the two anthryl rings to be parallel and their π(C\(_{14}\)) systems perpendicular to the diborene π(B=B) system. This twisted conformation allows for intercalation of the relatively high-lying π(B=B) orbital and the low-lying π* orbital of the anthryl moiety with no significant conjugation, resulting in a small HOMO-LUMO gap (HLG) and ultimately an unprecedented anthryl B–B bond hydroarylation. The HLG of 1 was estimated to be 1.57 eV from the onset of the long wavelength band in its UV–vis absorption spectrum (THF, λ\(_{onset}\) = 788 nm). The oxidation of 1 with elemental selenium afforded diboraselenirane 8 in quantitative yield. By oxidative abstraction of one phosphine ligand by another equivalent of elemental selenium, the B–B and C\(^1\)–H bonds of 8 were cleaved to give the cyclic 1,9-diboraanthracene 9.
KW  - boron
KW  - small HOMO-LUMO gap
KW  - diborenes
KW  - borylation
KW  - hydroarylation
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-148126
N1  - This is the pre-peer reviewed version of the following article: S. R. Wang, M. Arrowsmith, J. Böhnke, H. Braunschweig, T. Dellermann, R. D. Dewhurst, H. Kelch, I. Krummenacher, J. D. Mattock, J. H. Müssig, T. Thiess, A. Vargas, J. Zhang, Angew. Chem. Int. Ed. 2017, 56, 8009., which has been published in final form at DOI: 10.1002/anie.201704063. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
VL  - 56
IS  - 27
ER  - 
TY  - INPR
A1  - Lambert, Christoph
A1  - Völker, Sebastian F.
A1  - Koch, Federico
A1  - Schmiedel, Alexander
A1  - Holzapfel, Marco
A1  - Humeniuk, Alexander
A1  - Röhr, Merle I. S.
A1  - Mitric, Roland
A1  - Brixner, Tobias
T1  - Energy Transfer Between Squaraine Polymer Sections: From helix to zig-zag and All the Way Back
T2  - Journal of the American Chemical Society
N2  - Joint experimental and theoretical study of the absorption spectra of squaraine polymers in solution provide evidence that two different conformations are present in solution: a helix and a zig-zag structure. This unique situation allows investigating ultrafast energy transfer processes between different structural segments within a single polymer chain in solution. The understanding of the underlying dynamics is of fundamental importance for the development of novel materials for light-harvesting and optoelectronic applications. We combine here femtosecond transient absorption spectroscopy with time-resolved 2D electronic spectroscopy showing that ultrafast energy transfer within the squaraine polymer chains proceeds from initially excited helix segments to zig-zag segments or vice versa, depending on the solvent as well as on the excitation wavenumber. These observations contrast other conjugated polymers such as MEH-PPV where much slower intrachain energy transfer was reported. The reason for the very fast energy transfer in squaraine polymers is most likely a close matching of the density of states between donor and acceptor polymer segments because of very small reorganization energy in these cyanine-like chromophores.
KW  - energy transfer dynamics
KW  - squaraine polymer
Y1  - 2015
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-159607
UR  - http://dx.doi.org/10.1021/jacs.5b03644
N1  - This document is the unedited Author's version of a Submitted Work that war subsequently accepted for publication in Journal of the American Chemical Society, copyright American Chemical Society after peer review. To access the final edited and published work see doi:10.1021/jacs.5b03644.
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Empirical Study on Screen Scraping Web Service Creation: Case of Rhein-Main-Verkehrsverbund (RMV)
N2  - Internet is the biggest database that science and technology have ever produced. The world wide web is a large repository of information that cannot be used for automation by many applications due to its limited target audience. One of the solutions to the automation problem is to develop wrappers. Wrapping is a process whereby unstructured extracted information is transformed into a more structured one such as XML, which could be provided as webservice to other applications. A web service is a web page whose content is well structured so that a computer program can consume it automatically. This paper describes steps involved in constructing wrappers manually in order to automatically generate web services.
KW  - HTML
KW  - XML
KW  - Wrapper <Programmierung>
KW  - Web service
KW  - HTML
KW  - XML
KW  - Wrapper
KW  - Web service
Y1  - 2010
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-49396
ER  - 
TY  - INPR
A1  - Volkmann, Armin
T1  - Eisenproduktionswerkplätze der späten römischen Kaiserzeit (3.–5. Jh. AD) im inneren Barbaricum
T1  - Workshops of iron production from the late Roman period (3rd–5th century AD) in Central Barbaricum
N2  - Durch systematische Prospektionen in Südbrandenburg wurden auch bei den devastierten Ortschaften Klein Görigk und Kausche zahlreiche bisher unbekannte Fundplatze entdeckt (vgl. Abb. 1). Diese verdeutlichen den Fundreichtum dieser kargen Landschaft als „archäologisches Fenster“ einer fallbeispielhaft intensiv erforschten Region. Die sehr zahlreichen Werkplätze der späten römischen Kaiserzeit (3.–5. Jh. AD) belegen eine massenhafte Eisenproduktion, die über den Eigenbedarf weit hinausging und die Grundlage für Handel darstellte. Interessanterweise sind im Eisenverhüttungszentrum des Niederlausitzer Grenzwalls keine zeitgleichen Siedlungen und Gräberfelder entdeckt worden. Diese liegen etwas weiter entfernt in den fruchtbareren Niederungs- und Beckenlandschaften der Umgebung. Die Werkplätze sind also nur temporär zur Eisenverhüttung aufgesucht worden. Die stereotyp errichteten Eisenproduktionsstätten wurden in unmittelbarer Nähe zum lokal vorkommenden „Raseneisenerz“ im waldreichen Gebiet errichtet. Durch die massenhafte Eisenproduktion, die äußerst viel Holzkohle benötigte, ist auch von negativen Folgen auf die prähistorische Umwelt auszugehen. Indizien einer mutmaßlichen „ökologischen Krise“ zum Ende der spätgermanischen Kultur (Mitte 5. Jh. AD) konnten jedoch bisher nicht sicher belegt werden.
N2  - By systematic survey methods were numerous previously unknown finding sites discovered also at the devastated villages "Klein Görigk" and "Kausche" in southern Brandenburg (Fig. 1). This illustrates the potentially richness of archaeological sites in this barren landscape as an exemplary case in an intensively examined region. The numerous workshops of the late Roman period in the 3rd to 5th century AD indicate a massive iron production in this region. The iron production was far beyond of own needs. It was the economical basis for trade. Interestingly, in the iron-smelting centers at the "Niederlausitz" no settlements and cemeteries of this period have been discovered. These are a little further away in the more fertile lowland basins. The workshops have been visited only temporarily for iron smelting. The stereotyped iron production workshops were built in close proximity to locally occurring iron ore. And they were established in the woodlands. By the mass production of iron, which required very much charcoal, is also presumed a negative impact on the prehistoric environment. Evidence of the alleged "ecological crisis" at the end of the late Germanic culture (mid of the 5th century AD), however, could not yet be proven.
KW  - Eisenproduktion
KW  - Germanen
KW  - Spätantike
KW  - Vor- und Frühgeschichte
KW  - Barbaricum
KW  - Landschaftsarchäologie
KW  - Umweltarchäologie
KW  - Wirtschaftsarchäologie
KW  - Barbaricum
KW  - iron production
KW  - germanic
KW  - Late Antiquity
KW  - Landscape Archaeology
Y1  - 2012
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-74420
ER  - 
TY  - INPR
A1  - Auerhammer, Nina
A1  - Schulz, Alexander
A1  - Schmiedel, Alexander
A1  - Holzapfel, Marco
A1  - Hoche, Joscha
A1  - Röhr, Merle I. S.
A1  - Mitric, Roland
A1  - Lambert, Christoph
T1  - Dynamic exciton localisation in a pyrene-BODIPY-pyrene dye conjugate
T2  - Physical Chemistry Chemical Physics
N2  - The photophysics of a molecular triad consisting of a BODIPY dye and two pyrene chromophores attached in 2-position are investigated by steady state and fs-time resolved transient absorption spectroscopy as well as by field induced surface hopping (FISH) simulations. While the steady state measurements indicate moderate chromophore interactions within the triad, the time resolved measurements show upon pyrene excitation a delocalised excited state which localises onto the BODIPY chromophore with a time constant of 0.12 ps. This could either be interpreted as an internal conversion process within the excitonically coupled chromophores or as an energy transfer from the pyrenes to the BODIPY dye. The analysis of FISH-trajectories reveals an oscillatory behaviour where the excitation hops between the pyrene units and the BODIPY dye several times until finally they become localised on the BODIPY chromophore within 100 fs. This is accompanied by an ultrafast nonradiative relaxation within the excitonic manifold mediated by the nonadiabatic coupling. Averaging over an ensemble of trajectories allowed us to simulate the electronic state population dynamics and determine the time constants for the nonradiative transitions that mediate the ultrafast energy transfer and exciton localisation on BODIPY.
KW  - Exciton localization dynamics
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-198718
UR  - https://doi.org/10.1039/C9CP00908F
N1  - Accepted manuscript
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Doing Webservices Composition by Content-based Mashup: Example of a Web-based Simulator for Itinerary Planning
N2  - Webservices composition is traditionally carried out using composition technologies such as Business Process Execution Language (BPEL) [1] and Web Service Choreography Interface (WSCI) [2]. The composition technology involves the process of web service discovery, invocation, and composition. However these technologies are not easy and flexible enough because they are mainly developer-centric. Moreover majority of websites have not yet embarked into the world of web service, although they have very important and useful information to offer. Is it because they have not understood the usefulness of web services or is it because of the costs? Whatever might be the answers to these questions, time and money are definitely required in order to create and offer web services. To avoid these expenditures, wrappers [7] to automatically generate webservices from websites would be a cheaper and easier solution. Mashups offer a different way of doing webservices composition. In web environment a Mashup is a web application that brings together data from several sources using webservices, APIs, wrappers and so on, in order to create entirely a new application that was not provided before. This paper presents first an overview of Mashups and the process of web service invocation and composition based on Mashup, then describes an example of a web-based simulator for navigation system in Germany.
KW  - Mashup <Internet>
KW  - Wrapper <Programmierung>
KW  - Mashup
KW  - Webservice Composition
KW  - Wrappers
Y1  - 2010
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-50036
ER  - 
TY  - INPR
A1  - Brych, Mareike
A1  - Händel, Barbara
T1  - Disentangling top-down and bottom-up influences on blinks in the visual and auditory domain
T2  - International Journal of Psychophysiology
N2  - Sensory input as well as cognitive factors can drive the modulation of blinking. Our aim was to dissociate sensory driven bottom-up from cognitive top-down influences on blinking behavior and compare these influences between the auditory and the visual domain. 
Using an oddball paradigm, we found a significant pre-stimulus decrease in blink probability for visual input compared to auditory input. Sensory input further led to an early post-stimulus blink increase in both modalities if a task demanded attention to the input. Only visual input caused a pronounced early increase without a task. In case of a target or the omission of a stimulus (as compared to standard input), an additional late increase in blink rate was found in the auditory and visual domain. This suggests that blink modulation must be based on the interpretation of the input, but does not need any sensory input at all to occur. 
Our results show a complex modulation of blinking based on top-down factors such as prediction and attention in addition to sensory-based influences. The magnitude of the modulation is mainly influenced by general attentional demands, while the latency of this modulation allows to dissociate general from specific top-down influences that are independent of the sensory domain.
KW  - eye blinks
KW  - attention
KW  - auditory
KW  - visual
KW  - visual domain
KW  - auditory domain
KW  - oddball
Y1  - 2020
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-246590
SN  - 1872-7697
SN  - 0167-8760
N1  - accepted version
ER  - 
TY  - INPR
A1  - Maghami, Mohammad Ghaem
A1  - Scheitl, Carolin P. M.
A1  - Höbartner, Claudia
T1  - Direct in vitro selection of trans-acting ribozymes for posttranscriptional, site-specific, and covalent fluorescent labeling of RNA
T2  - Journal of the American Chemical Society
N2  - General and efficient tools for site-specific fluorescent or bioorthogonal labeling of RNA are in high demand. Here, we report direct in vitro selection, characterization, and application of versatile trans-acting 2'-5' adenylyl transferase ribozymes for covalent and site-specific RNA labeling. The design of our partially structured RNA pool allowed for in vitro evolution of ribozymes that modify a predetermined nucleotide in cis (i.e. intramolecular reaction), and were then easily engineered for applications in trans (i.e. in an intermolecular setup). The resulting ribozymes are readily designed for specific target sites in small and large RNAs and accept a wide variety of N6-modified ATP analogues as small molecule substrates. The most efficient new ribozyme (FH14) shows excellent specificity towards its target sequence also in the context of total cellular RNA.
KW  - covalent and site-specific RNA labeling
KW  - trans-acting 2'-5' adenylyl transferase ribozymes
KW  - in vitro selection from a structured RNA library
KW  - Ribozyme-catalyzed RNA labeling
KW  - intermolecular applications of ribozymes
Y1  - 2019
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-192333
N1  - This document is the unedited Author’s version of a Submitted Work that was subsequently accepted for publication in Journal of the American Chemical Society, copyright © American Chemical Society after peer review. To access the final edited and published work see https://doi.org/10.1021/jacs.9b10531.
ER  - 
TY  - INPR
A1  - Arrowsmith, Merle
A1  - Mattock, James D.
A1  - Böhnke, Julian
A1  - Krummenacher, Ivo
A1  - Vargas, Alfredo
A1  - Braunschweig, Holger
T1  - Direct access to a cAAC-supported dihydrodiborene and its dianion
T2  - Chemical Communications
N2  - The two-fold reduction of (cAAC)BHX\(_2\) (cAAC = 1-(2,6-diisopropylphenyl)-3,3,5,5-tetramethylpyrrolidin-2-ylidene; X = Cl, Br) provides a facile, high-yielding route to the dihydrodiborene (cAAC)\(_2\)B\(_2\)H\(_2\). The (chloro)hydroboryl anion reduction intermediate was successfully isolated using a crown ether. Overreduction of the diborene to its dianion [(cAAC)\(_2\)B\(_2\)H\(_2\)]\(^{2−}\) causes a decrease in the B–B bond order whereas the B–C bond orders increase.
KW  - carbenes
KW  - diborenes
KW  - boron
KW  - main-group chemistry
KW  - diborynes
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-164276
N1  - This is the pre-peer reviewed version of the following article: Chemical Communications, 2018, 54, 4669-4672 which has been published at DOI: 10.1039/C8CC01580E
ER  - 
TY  - INPR
A1  - Warmdt, Julia
A1  - Frisch, Henrik
A1  - Ratz, Christoph
A1  - Pohlmann-Rother, Sanna
T1  - Digital lesen und erzählen. Eine Projektwoche für den inklusiven Anfangsunterricht
T2  - Fördermagazin Grundschule
N2  - Das Digital Storytelling bietet Schüler:innen im inklusiven Anfangsunterricht vielfältige Möglichkeiten der Teilhabe am Unterricht. Lesen Sie in diesem Beitrag, wie die Kinder eine digitale Geschichte auf unterschiedliche Art rezipieren und weitererzählen können.
KW  - Bilderbuch
KW  - Medienkompetenz
KW  - Inklusiver Unterricht
KW  - Anfangsunterricht
KW  - Erzählen
KW  - Digital Storytelling
Y1  - 2023
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-328443
ET  - accepted version
ER  - 
TY  - INPR
A1  - Hornung, Christoph
ED  - Blandfort, Julia
ED  - Mancas, Magdalena Silvia
ED  - Wiesinger, Evelyn
T1  - Die Minderheiten- und Außenseiterperspektive in Federico García Lorcas Poeta en Nueva York.
T2  - Minderheit(en): Fremd? Anders? Gleich?. Beiträge zum XXVII. Forum Junge Romanistik in Regensburg (15.-18. Juni 2011)
N2  - Die Arbeit analysiert die Situation des lyrischen Ich in Federico García Lorcas Gedichtband Poeta en Nueva York hinsichtlich seiner Minderheiten- und Außenseiterperspektive.
KW  - García Lorca, Federico
KW  - Minderheit
KW  - Großstadt
KW  - Migration
KW  - Einsamkeit
KW  - New York
Y1  - 2013
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-148208
UR  - https://www.peterlang.com/view/product/16844
N1  - Es handelt sich um die akzeptierte Manuskriptversion der Publikation, die vom Verlag für den Open Access freigegeben wurde. Die endgültige Version des Aufsatzes liegt gedruckt vor und ist in einem Gebührenmodell online über einen Klick auf folgenden dauerhaften Identifier zu finden:
http://dx.doi.org/10.3726/978-3-653-02742-6
SP  - 79
EP  - 95
PB  - Lang
CY  - Frankfurt am Main
ER  - 
TY  - INPR
A1  - Volkmann, Armin
T1  - Die Germanen: Mythos und Forschungsrealität
T1  - "Germanen": Myth and reality of research
N2  - Der Begriff Germanen ist eine Fremdbezeichnung griechisch-römischer Autoren der Antike. Die so bezeichneten Gruppen hatten aber keine gemeinsame germanische Identität. Die Germanen wurden schon in der Antike als mächtige Gegner stilisiert, was wiederum im Mittelalter im Zuge der Staatenbildungen gerne in den schriftlichen Quellen aufgegriffen wurde. Retrospektiv kann keine "Ursprache" oder "Urheimat" der Germanen rekonstruiert werden. In der Archäologie gibt es jedoch aufgrund des Fundmaterials Kulturräume einer materiellen Kultur, die als germanisch interpretiert werden. Diese sind jedoch nicht mit einer "germanischen Ethnie" zu verwechseln.
N2  - The term Germanic was given by Greco-Roman authors of antiquity. However, the so-called Germanic groups had no common Germanic identity. In antiquity, the Germanic tribes were stylized as a powerful opponent by Caesar. In the written sources of the Middle Ages this antique information had helped to create a Germanic identity. This myth was an important basis of the medieval state formation. It is not possible to find roots of the "original language" or "homeland" of Germanic people. Cultural areas in archeology are defined by finds of archeological cultures. These archeological cultures are only material cultures. Some material cultures can be identified with the name Germanic, if they are discovered in central Europe from the period of the 1st century BC until the 5th century AD. But these are not identical with a "Germanic ethnicity".
KW  - Vor- und Frühgeschichte
KW  - Vor- und Frühgeschichte <Fach>
KW  - Paläoethnologie
KW  - Germanen
KW  - Germanic
Y1  - 2011
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-66789
ER  - 
TY  - INPR
A1  - Wolf, Norbert Richard
T1  - Die Darwinsche Theorie und die Sprachwissenschaften
N2  - No abstract available
Y1  - 1989
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-41739
ER  - 
TY  - INPR
A1  - Hermann, Alexander
A1  - Cid, Jessica
A1  - Mattock, James D.
A1  - Dewhurst, Rian D.
A1  - Krummenacher, Ivo
A1  - Vargas, Alfredo
A1  - Ingleson, Michael J.
A1  - Braunschweig, Holger
T1  - Diboryldiborenes: π‐Conjugated B\(_4\) Chains Isoelectronic to the Butadiene Dication
T2  - Angewandte Chemie, International Edition
N2  - sp\(^2\)–sp\(^3\) diborane species based on bis(catecholato)diboron and N-heterocyclic carbenes (NHCs) are subjected to catechol/bromide exchange selectively at the sp\(^3\) boron atom. The reduction of the resulting 1,1-dibromodiborane adducts led to reductive coupling and isolation of doubly NHC-stabilized 1,2-diboryldiborenes. These compounds are the first examples of molecules exhibiting pelectron delocalization over an all-boron chain.
KW  - diboranes
KW  - diborenes
KW  - N-heterocyclic carbenes
KW  - boron chains
KW  - pi-conjugation
Y1  - 2018
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-167977
N1  - This is the pre-peer reviewed version of the following article: A. Hermann, J. Cid, J. D. Mattock, R. D. Dewhurst, I. Krummenacher, A. Vargas, M. J. Ingleson, H. Braunschweig, Angew. Chem. Int. Ed. 2018, 57, 10091, which has been published in final form at https://doi.org/10.1002/anie.201805394. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions.
ER  - 
TY  - INPR
A1  - Braunschweig, Holger
A1  - Krummenacher, Ivo
A1  - Lichtenberg, Crispin
A1  - Mattock, James
A1  - Schäfer, Marius
A1  - Schmidt, Uwe
A1  - Schneider, Christoph
A1  - Steffenhagen, Thomas
A1  - Ullrich, Stefan
A1  - Vargas, Alfredo
T1  - Dibora[2]ferrocenophane: A Carbene-Stabilized Diborene in a Strained cis-Configuration
T2  - Angewandte Chemie, International Edition
N2  - Unsaturated bridges that link the two cyclopentadienyl ligands together in strained ansa metallocenes are rare and limited to carbon-carbon double bonds. The synthesis and isolation of a strained ferrocenophane containing an unsaturated two-boron bridge, isoelectronic with a C=C double bond, was achieved by reduction of a carbene-stabilized 1,1’-bis(dihaloboryl)ferrocene. A combination of spectroscopic and electrochemical measurements as well as density functional theory (DFT) calculations was used to assess the influence of the unprecedented strained cis configuration on the optical and electrochemical properties of the carbene-stabilized diborene unit. Initial reactivity studies show that the dibora[2]ferrocenophane is prone to boron-boron double bond cleavage reactions.
KW  - Boron
KW  - Metallocenes
KW  - Metallocene
KW  - Bor
KW  - Diborane
KW  - density functional calculations
KW  - strained molecules
KW  - diborenes
Y1  - 2016
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-141981
N1  - This is the pre-peer reviewed version of the following article: Angewandte Chemie, International Edition, Volume 56, Issue 3, 889–892, which has been published in final form at doi:10.1002/anie.201609601. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving.
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Design and Implementation of Architectures for Interactive Textual Documents Collation Systems
N2  - One of the main purposes of textual documents collation is to identify a base text or closest witness to the base text, by analyzing and interpreting differences also known as types of changes that might exist between those documents. Based on this fact, it is reasonable to argue that, explicit identification of types of changes such as deletions, additions, transpositions, and mutations should be part of the collation process. The identification could be carried out by an interpretation module after alignment has taken place. Unfortunately existing collation software such as CollateX1 and Juxta2’s collation engine do not have interpretation modules. In fact they implement the Gothenburg model [1] for collation process which does not include an interpretation unit. Currently both CollateX and Juxta’s collation engine do not distinguish in their critical apparatus between the types of changes, and do not offer statistics about those changes. This paper presents a model for both integrated and distributed collation processes that improves the Gothenburg model. The model introduces an interpretation component for computing and distinguishing between the types of changes that documents could have undergone. Moreover two architectures implementing the model in order to solve the problem of interactive collation are discussed as well. Each architecture uses CollateX library, and provides on the one hand preprocessing functions for transforming input documents into CollateX input format, and on the other hand a post-processing module for enabling interactive collation. Finally simple algorithms for distinguishing between types of changes, and linking collated source documents with the collation results are also introduced.
KW  - Softwarearchitektur
KW  - Textvergleich
KW  - service based software architecture
KW  - service brokerage
KW  - interactive collation of textual variants
KW  - Gothenburg model of collation process
Y1  - 2011
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-56601
ER  - 
TY  - INPR
A1  - Nassourou, Mohamadou
T1  - Design and Implementation of a Model-driven XML-based Integrated System Architecture for Assisting Analysis, Understanding, and Retention of Religious Texts:The Case of The Quran
N2  - Learning a book in general involves reading it, underlining important words, adding comments, summarizing some passages, and marking up some text or concepts. Once deeper understanding is achieved, one would like to organize and manage her/his knowledge in such a way that, it could be easily remembered and efficiently transmitted to others. This paper discusses about modeling religious texts using semantic XML markup based on frame-based knowledge representation, with the purpose of assisting understanding, retention, and sharing of knowledge they contain. In this study, books organized in terms of chapters made up of verses are considered as the source of knowledge to model. Some metadata representing the multiple perspectives of knowledge modeling are assigned to each chapter and verse. Chapters and verses with their metadata form a meta-model, which is represented using frames, and published on a web mashup. An XML-based annotation and visualization system equipped with user interfaces for creating static and dynamic metadata, annotating chapters’ contents according to user selected semantics, and templates for publishing generated knowledge on the Internet, has been developed. The system has been applied to the Quran, and the result obtained shows that multiple perspectives of information modeling can be successfully applied to religious texts, in order to support analysis, understanding, and retention of the texts.
KW  - Wissensrepräsentation
KW  - Wissensmanagement
KW  - Content Management
KW  - XML
KW  - Koran
KW  - Knowledge representation
KW  - Meta-model
KW  - Frames
KW  - XML model
KW  - Knowledge Management
KW  - Content Management
KW  - Quran
Y1  - 2011
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-65737
ER  - 
TY  - INPR
A1  - Wolf, Norbert Richard
T1  - Der Duden, die Genera und die Geschlechter
T2  - Vestnik of Samara University. History, pedagogics, philology
T2  - ВЕСТНИК САМАРСКОГО УНИВЕРСИТЕТА. ИСТОРИЯ, ПЕДАГОГИКА, ФИЛОЛОГИЯ
N2  - Anlass für diesen Aufsatz ist die Tatsache, dass die Duden-Redaktion bei zahlreichen
Personenbezeichnungen das sog. ‚generische Maskulinum‘ wegdefiniert hat. Das Anfang 2021 erschienene online Wörterbuch gibt als Bedeutungserklärung des Substantiv Arzt folgende Beschreibung an: „männliche Person, die nach Medizinstudium und klinischer Ausbildung die staatliche Zulassung (Approbation) erhalten hat, Kranke zu behandeln (Berufsbezeichnung)“. Demgegenüber hieß es im Duden Universalwörterbuch von 2015: „jemand, der nach Medizinstudium und klinischer Ausbildung die staatliche Zulassung (Approbation) erhalten hat, Kranke zu behandeln (Berufsbezeichnung)“
Der Aufsatz versucht, wieder einmal zu überprüfen, ob es das generische Maskulinum als geschlechtsübergreifende oder besser: geschlechtsneutrale Bezeichnung gibt oder ob es, nicht zuletzt aufgrund des jahrhundertelangen Einflusses des Patriarchats auf die Sprachentwicklung, sich doch um den Ausdruck männlicher Vormacht handelt. Dabei werden sowohl das Problem ‚Genus‘ als auch der Begriff ‚generisch‘ untersucht und auf seine Bezeichnungsfunktion hin getestet. Schließlich soll auch überprüft werden, ob die Sprache tatsächlich die Wirklichkeit widerspiegelt und ob die Sprache wirklich alle Phänomene in der außersprachlichen Realität benennen muss. Dazu kommt natürlich auch die Frage, ob die Duden-Redaktion ihre Kompetenzen richtig interpretiert (hat).
KW  - Duden
KW  - Genus
KW  - Sexus
KW  - lexikalische Bedeutung
Y1  - 2021
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-241571
UR  - https://journals.ssau.ru/hpp/
ER  - 
TY  - INPR
A1  - Wohlgemuth, Matthias
A1  - Miyazaki, Mitsuhiko
A1  - Tsukada, Kohei
A1  - Weiler, Martin
A1  - Dopfer, Otto
A1  - Fujii, Masaaki
A1  - Mitrić, Roland
T1  - Deciphering environment effects in peptide bond solvation dynamics by experiment and theory
T2  - Physical Chemistry Chemical Physics
N2  - Most proteins work in aqueous solution and the interaction with water strongly affects their structure and function. However, experimentally the motion of a specific single water molecule is difficult to trace by conventional methods, because they average over the heterogeneous solvation structure of bulk water surrounding the protein. Here, we provide a detailed atomistic picture of the water rearrangement dynamics around the –CONH– peptide linkage in the two model systems formanilide and acetanilide, which simply differ by the presence of a methyl group at the peptide linkage. The combination of picosecond pump–probe time-resolved infrared spectroscopy and molecular dynamics simulations demonstrates that the solvation dynamics at the molecular level is strongly influenced by this small structural difference. The effective timescales for solvent migration triggered by ionization are mainly controlled by the efficiency of the kinetic energy redistribution rather than the shape of the potential energy surface. This approach provides a fundamental understanding of protein hydration and may help to design functional molecules in solution with tailored properties.
KW  - hydration dynamics
KW  - trans-formanilide
KW  - water migration
KW  - protein hydration
KW  - infrared-spectra
Y1  - 2017
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-159483
UR  - http://pubs.rsc.org/en/content/articlelanding/2017/cp/c7cp03992a
N1  - Submitted version
ER  - 
TY  - INPR
A1  - Lermann, Dr. Matthias
T1  - Das Druckbild des Cartellverbands. Versuch über die Typographiegeschichte der Academia
T2  - Festschrift 125 Jahre Academia
N2  - Die vorliegende Untersuchung gilt der Mikro- und Makrotypografie der seit 125 Jahren erscheinenden katholischen Verbandszeitschrift "Academia". Für die graphologischen und paläographischen Besonderheiten wird eine Hermeneutik vorgeschlagen. Das hier erforschte Druckbild repräsentiert mit einer Auflage von 30.000 Exemplaren im achtwöchigen Erscheinungsrhythmus den Cartellverband der Katholischen Deutschen Studentenverbindungen (CV). So illustriert und visualisiert dieses Druckbild mit seiner typografischen Performance zugleich den mitgliederstärksten Akademikerverband Europas.
KW  - Cartellverband
KW  - Cartellverband der Katholischen Deutschen Studentenverbindungen
KW  - Buchdruck
KW  - Katholische Zeitschrift
KW  - Academia (Zeitschrift, Bad Honnef)
KW  - Drucktechnik
KW  - CV
KW  - Academia
KW  - Layout
KW  - Offset
KW  - Lithographie
Y1  - 2013
U6  - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:bvb:20-opus-180351
ER  -