39,199 research outputs found
F. Böckle, E.-J. Kaelin, H. Ruh, K. Stadler, Kirche im Umbruch der Gesellschaft , 1970
No full textThils Gustave. F. Böckle, E.-J. Kaelin, H. Ruh, K. Stadler, Kirche im Umbruch der Gesellschaft , 1970. In: Revue théologique de Louvain, 1ᵉ année, fasc. 4, 1970. p. 464
Devices in single molecule electronics based on quantum interference and redox switches
No full textThe talk will be divided into two parts.
Part one is related to quantum interference [1],[2],[3]:
Since the concepts for the implementation of data storage and logic gates used in conventional electronics cannot be simply downscaled to the level of single molecule devices, new architectural paradigms are needed, where quantum interference (QI) effects are likely to provide an useful starting point. In order to be able to use QI for design purposes in single molecule electronics, the relation between their occurrence and molecular structure has to be understood at such a level that simple guidelines for electrical engineering can be established. We made a big step towards this aim by developing a graphical scheme that allows for the prediction of the occurrence or absence of QI induced minima in the transmission function and the derivation of this method and the range of its applicability will form the center piece of this presentation.
Part two is related to redox switches [4],[5],[6]:
In a joint experimental and theoretical investigation of the transport properties of organometallic molecules containing either Fe, Ru or Mo centers, hysteretic transport properties with continuous transitions were found for all compounds, and additionally an abrupt switching for Mo [4]. The latter could be modelled by taking into account bias-driven charging and explained by an oxidation/reduction mechanism mediated by a localized MO with weak coupling to the electrodes that is unique to the Mo compound because of the latter's spin-polarized ground state. Di-nuclear Fe compounds with various different anchor groups were also investigated, where excellent agreement of the trends in conductance between theory and experiment were obtained [5].
[1] R. Stadler, S. Ami, M. Forshaw, and C. Joachim, Nanotechnology 15, S115-S121 (2004).
[2] T. Markussen, R. Stadler, K. S. Thygesen, Nano Lett. 10, 4260-4265 (2010).
[3] R. Stadler, Nano Lett., 15, 7175-7176 (2015).
[4] F. Schwarz, G. Kastlunger, F. Lissel, C. Egler-Lucas, S. N. Semenov, K. Venkatesan, H. Berke, R. Stadler and E. Lörtscher, Nature Nanotechnology, in print (2015); DOI:10.1038/nnano.2015.255
[5] F. Schwarz, G. Kastlunger, F. Lissel, H. Riel, K. Venkatesan, H. Berke, R. Stadler and E. Lörtscher, Nano Lett. 14, 5932-5940 (2014).
[6] G. Kastlunger and R. Stadler, Phys. Rev. B 91, 125410 (2015)
Coherent tunneling and electron hopping in molecules with redox centers
No full textFor defining the conductance of single molecule junctions with a redox functionality in an electrochemical cell, two conceptually different electron transport mechanisms, namely coherent tunnelling and vibrationally induced hopping compete with each other. For a direct comparison, it has to be ensured that the crucial quantities obtained from electronic structure calculations, i.e. the transmission function T(E) [1], in Landauer theory, and the transfer integral [2], the reorganisation energy and the driving force in Marcus theory, are derived from similar grounds [3]. We perform density functional theory calculations for the conductance corresponding to both transport mechanisms for junctions with the central molecule containing Ru centers, and we extrapolate our results in order to define the critical length for the transition point of the two regimes.
In a joint experimental and theoretical investigation of the transport properties of organometallic molecules containing either Fe, Ru or Mo centers, hysteretic transport properties with continuous transitions were found for all compounds, and additionally an abrupt switching for Mo (Figure 1) [4]. The latter could be modelled by taking into account bias-driven charging and explained by an oxidation/reduction mechanism mediated by a localized MO with weak coupling to the electrodes that is unique to the Mo compound because of the latter's spin-polarized ground state. Di-nuclear Fe compounds with various different anchor groups were also investigated, where excellent agreement of the trends in conductance between theory and experiment were obtained [5]
Figure 1:
References:
[1] G. Kastlunger, R. Stadler, Phys. Rev. B 88, 035418, (2013).
[2] G. Kastlunger, R. Stadler, Phys. Rev. B 89, 115412, (2014).
[3] G. Kastlunger, R. Stadler, Phys. Rev. B 91, 125410, (2015).
[4] F. Schwarz, G. Kastlunger, F. Lissel, C. Egler-Lucas, S. N. Semenov, K. Venkatesan, H. Berke, R. Stadler and E. Lörtscher, Nature Nanotechnology 11, 170-176, (2016).
[5] F. Schwarz, G. Kastlunger, F. Lissel, H. Riel, K. Venkatesan, H. Berke, R. Stadler and E. Lörtscher, Nano Lett. 14, 5932-5940, (2014)
Coherent tunneling and electron hopping in molecules with redox centers
No full textFor defining the conductance of single molecule junctions with a redox functionality in an electrochemical cell, two conceptually different electron transport mechanisms, namely coherent tunnelling and vibrationally induced hopping compete with each other, where implicit parameters of the setup such as the length of the molecule and the applied gate voltage decide which mechanism is the dominant one. Although coherent tunnelling is most efficiently described within Landauer theory, while the common theoretical treatment of electron hopping is based on Marcus theory, both theories are adequate for the processes they describe without introducing accuracy limiting approximations. For a direct comparison, however, it has to be ensured that the crucial quantities obtained from electronic structure calculations, i.e. the transmission function T(E) [1], in Landauer theory, and the transfer integral [2], the reorganisation energy and the driving force in Marcus theory, are derived from similar grounds [3]. In this contribution our framework is a single particle picture, where we perform density functional theory calculations for the conductance corresponding to both transport mechanisms for junctions with the central molecule containing one, two or three Ruthenium centers, respectively, and we extrapolate our results in order to define the critical length for the transition point of the two regimes.
In a joint experimental and theoretical investigation of the transport properties of organometallic molecules containing either Fe, Ru or Mo centers, hysteretic transport properties with continuous transitions were found for all compounds, and additionally an abrupt switching for Mo [4]. The latter could be modelled by taking into account bias-driven charging and explained by an oxidation/reduction mechanism mediated by a localized MO with weak coupling to the electrodes that is unique to the Mo compound because of the latter's spin-polarized ground state. Di-nuclear Fe compounds with various different anchor groups were also investigated, where excellent agreement of the trends in conductance between theory and experiment were obtained [5].
[1] G. Kastlunger and R. Stadler, Phys. Rev. B 88, 035418 (2013).
[2] G. Kastlunger and R. Stadler, Phys. Rev. B 89, 115412 (2014).
[3] G. Kastlunger and R. Stadler, Phys. Rev. B 91, 125410 (2015).
[4] F. Schwarz, G. Kastlunger, F. Lissel, C. Egler-Lucas, S. N. Semenov, K. Venkatesan, H. Berke, R. Stadler and E. Lörtscher, submitted (2015).
[5] F. Schwarz, G. Kastlunger, F. Lissel, H. Riel, K. Venkatesan, H. Berke, R. Stadler and E. Lörtscher, Nano Lett. 14, 5932-5940 (2014)
New journal: Algorithms for Molecular Biology
No full textAbstract This editorial announces Algorithms for Molecular Biology, a new online open access journal published by BioMed Central. By launching the first open access journal on algorithmic bioinformatics, we provide a forum for fast publication of high-quality research articles in this rapidly evolving field. Our journal will publish thoroughly peer-reviewed papers without length limitations covering all aspects of algorithmic data analysis in computatioal biology. Publications in Algorithms for Molecular Biology are easy to find, highly visible and tracked by organisations such as PubMed. An established online submission system makes a fast reviewing procedure possible and enables us to publish accepted papers without delay. All articles published in our journal are permanently archived by PubMed Central and other scientific archives. We are looking forward to receiving your contributions.</p
Addendum: topology and prediction of RNA pseudoknots
No full textM. Reidys C, W. D. Huang F, E. Andersen J, C. Penner R, F. Stadler P, Nebel M. Addendum: topology and prediction of RNA pseudoknots. Bioinformatics. 2012;28(2):300
Topology and prediction of RNA pseudoknots
No full textM. Reidys C, W. D. Huang F, E. Andersen J, C. Penner R, F. Stadler P, Nebel M. Topology and prediction of RNA pseudoknots. Bioinformatics. 2011;27(8):1076--1085
Kyrie V (4), orch
No full textunfinished composition by Mozart, completed by Stadler4 Blätter (= 2 Einzelblätter und 1 Doppelblatt) mit 8 beschriebenen S., 12zeilig rastriert. Höhe: 21,8-22 cm (von Blatt 1 wurde unten ein ca. 7 mm breiter Streifen abgeschnitten); Breite: 32 cm (Blatt 3 abweichend: ca. 30 cm).Weitere Eintragungen auf S. 1: "M. f. d. G. [Musik für den Gesang] | Kirch[enmusik]" (links oben, Nissen), "Von Mozart und seine Handschrift." (rechts oben, Nissen), daneben (Stadler): "Kyrie".Am rechten Rand des Titelblatts "IIII" (mit Rötel); dies bezieht sich auf das von G. N. Nissen und C. Mozart mitgeteilte Verzeichnis der Fragmente W. A. Mozarts (siehe BauerM 2005).Auf S. 8 oben: "I A a 4" (Nissen).Auf S. 1 des Autographs rechts am Rand Vermerk Stadlers (in Abschrift von Nissen): "Es machte mir Mühe, ein solches Meisterstük zu vollenden. Ich wäre aber der unmaaß- | geblichen Meinung, daß statt des Kyrie andre Worte, sollten es auch teutsche seyn, | unterlegt werden sollten, und dann wäre diese herrliche Composition ein selbst- | ständiges Werk, welches allenfals ein Chor, und zwar ein recht prächtiger, | majestätischer Chor genant zu werden verdinte. Abbé Maximil. Stadler, Pfarrer | [ab hier kaum noch lesbar:] zu Böhmisch-Krut in Österreich, 30. April 1809."Die Fortsetzung des Textes findet sich (in Stadlers eigener Handschrift) auf S. 3 am rechten Rand: "Text zu dieser erhabenen Musik aus ebr.[äisch] | Herr, wie groß, wie viel sind deine Werke! Halleluja! | Und auf das Piano. O wie gütig und barmherzig bist du, Gott, | Herr des Himmels und der Erde! | oder | es könnte der Musik ein Text unterlegt werden, wodurch sie [aus "er" korrigiert] in einen sanften Chor umgewandelt würde, z. B. | aus [Moses] Mendelssohns Uebersezung des 92|t|e|n Psalms: Lieblich ists, dem Ewgen danken, Höchster, deinem Namen singen p."Mendelssohns Psalmenübersetzung erschien erstmals 1783 in Berlin ("Die Psalmen. Uebersetzt von Moses Mendelssohn").Eine vollständige Abschrift von Stadlers Text (ohne die Datierung), geschrieben von Anton Jähndl, findet sich in Nissens Arbeitsmaterialien für seine Mozart-Biographie (A-Sm DocNC 29); vgl. MorgensternN 2014.Constanze Nissen wandte sich in einem undatierten Schreiben (ca. Anfang 1827) an Stadler, in dem sie diesem mitteilte, sie beabsichtige die Veröffentlichung des vorliegenden Werks sowie des ebenfalls von Stadler vollendeten Kyrie KV 322 (siehe A-Sm Autogr 322), um mit dem Erlös ihre beiden Söhne zu unterstützen (siehe BauerM 2005, Nr. 1440).Das Autograph war früher eingeheftet in einen blauen Papierumschlag, der jetzt lose beiliegt; darauf vorne (wie bei A-Sm Autogr 320e von der Hand Jelineks): "2. | Kyrie in C | von | W. A. Mozart. | dasselbe hat keinen Schluß. [oben rechts:] /: Autograph :/ | 4 Blätter"; von anderer Hand darunter (Bleistift): "K.V. 323". Auf der hinteren Innenseite aufgeklebtes Papiersiegel des Dommusikverein und Mozarteums (Prägung kaum noch erkennbar) mit Rest der früheren Fadenheftung; rechts in Bleistift: "4 Blatt | 8 Seiten".Ältere Foliierung (1-4) rechts oben, vermutlich von Stadler.Blätter 3 und 4 (ein Bogen) weisen noch eine ältere Fadenheftung auf, Blätter 1 und 2 sind lose.Die ersten beiden Blätter sind am Rand beschädigt, Blätter 3 und 4 mit deutlichen Feuchtigkeitsschäden.Auf S. 1 rechts oben wurde vermutlich bei einer früheren Restaurierung ein aufgeklebtes Etikett abgenommen, auf S. 2 am linken Rand ist noch ein aufgeklebter Papierstreifen vorhanden.Stempel: "DOM= | MUSICK=VEREIN | U. | MOZARTEUM", "INTERNATIONALE | STIFTUNG: | MOZARTEUM | 1881".Stadler ergänzte Mozarts unvollständiges Autograph bis Takt 37, die allein von Stadler stammende Fortsetzung ist hier nicht enthalten (siehe die Angaben in NMA X/30/4, p.270); eine vollständige Niederschrift (mit dem unterlegten Text "Regina coeli") von Stadlers Hand in A-Sm Rara 323/1.Das Manuskript kam 1856 als Geschenk Carl Thomas Mozarts in den Besitz des damaligen Dommusikverein und Mozarteums.Dommusikverein und Mozarteum, Salzbur
Comparative RNA Genomics
No full textOver the last quarter of a century it has become clear that RNA is much more than just a boring intermediate in protein expression. Ancient RNAs still appear in the core information metabolism and comprise a surprisingly large component in bacterial gene regulation. A common theme with these types of mostly small RNAs is their reliance of conserved secondary structures. Large-scale sequencing projects, on the other hand, have profoundly changed our understanding of eukaryotic genomes. Pervasively transcribed, they give rise to a plethora of large and evolutionarily extremely flexible non-coding RNAs that exert a vastly diverse array of molecule functions. In this chapter we provide a-necessarily incomplete-overview of the current state of comparative analysis of non-coding RNAs, emphasizing computational approaches as a means to gain a global picture of the modern RNA world.</p
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