286 research outputs found
Higher acenes by on‐surfacedehydrogenation : from heptacene to undecacene
A unified approach to the synthesis of the series of higher acenes up to previously unreported undecacene has been developed through the on‐surface dehydrogenation of partially saturated precursors. These molecules could be converted into the parent acenes by both atomic manipulation with the tip of a scanning tunneling and atomic force microscope (STM/AFM) as well as by on‐surface annealing. The structure of the generated acenes has been visualized by high‐resolution non‐contact AFM imaging and the evolution of the transport gap with the increase of the number of fused benzene rings has been determined on the basis of scanning tunneling spectroscopy (STS) measurements
Interacting via the Heap in the Presence of Recursion
Almost all modern imperative programming languages include operations for
dynamically manipulating the heap, for example by allocating and deallocating
objects, and by updating reference fields. In the presence of recursive
procedures and local variables the interactions of a program with the heap can
become rather complex, as an unbounded number of objects can be allocated
either on the call stack using local variables, or, anonymously, on the heap
using reference fields. As such a static analysis is, in general, undecidable.
In this paper we study the verification of recursive programs with unbounded
allocation of objects, in a simple imperative language for heap manipulation.
We present an improved semantics for this language, using an abstraction that
is precise. For any program with a bounded visible heap, meaning that the
number of objects reachable from variables at any point of execution is
bounded, this abstraction is a finitary representation of its behaviour, even
though an unbounded number of objects can appear in the state. As a
consequence, for such programs model checking is decidable.
Finally we introduce a specification language for temporal properties of the
heap, and discuss model checking these properties against heap-manipulating
programs.Comment: In Proceedings ICE 2012, arXiv:1212.345
The Buchwald-Hartwig Amination After 25 Years
The Pd-catalyzed coupling of aryl (pseudo)halides and amines is one of the most powerful approaches for the formation of C(sp(2))-N bonds. The pioneering reports from Migita and subsequently Buchwald and Hartwig on the coupling of aminostannanes and aryl bromides rapidly evolved into general and practical tin-free protocols with broad substrate scope, which led to the establishment of what is now known as the Buchwald-Hartwig amination. This Minireview summarizes the evolution of this cross-coupling reaction over the course of the past 25 years and illustrates some of the most recent applications of this well-established methodology
A Comparison of Neural Networks and Fuzzy Logic Methods for Process Modeling
The goal of this work was to analyze the potential of neural networks and fuzzy logic methods to develop approximate response surfaces as process modeling, that is for mapping of input into output. Structural response was chosen as an example. Each of the many methods surveyed are explained and the results are presented. Future research directions are also discussed
Satisfiability Modulo Transcendental Functions via Incremental Linearization
In this paper we present an abstraction-refinement approach to Satisfiability
Modulo the theory of transcendental functions, such as exponentiation and
trigonometric functions. The transcendental functions are represented as
uninterpreted in the abstract space, which is described in terms of the
combined theory of linear arithmetic on the rationals with uninterpreted
functions, and are incrementally axiomatized by means of upper- and
lower-bounding piecewise-linear functions. Suitable numerical techniques are
used to ensure that the abstractions of the transcendental functions are sound
even in presence of irrationals. Our experimental evaluation on benchmarks from
verification and mathematics demonstrates the potential of our approach,
showing that it compares favorably with delta-satisfiability /interval
propagation and methods based on theorem proving
Electronic decoupling of polyacenes from the underlying metal substrate by sp <sup>3</sup> carbon atoms
We report on the effect of sp3 hybridized carbon atoms in acene derivatives
adsorbed on metal surfaces, namely decoupling the molecules from the supporting
substrates. In particular, we have used a Ag(100) substrate and hydrogenated
heptacene molecules, in which the longest conjugated segment determining its
frontier molecular orbitals amounts to five consecutive rings. The
non-planarity that the sp3 atoms impose on the carbon backbone results in
electronically decoupled molecules, as demonstrated by the presence of charging
resonances in dI/dV tunneling spectra and the associated double tunneling
barriers, or in the Kondo peak that is due to a net spin S=1/2 of the molecule
as its LUMO becomes singly charged. The spatially dependent appearance of the
charging resonances as peaks or dips in the differential conductance spectra is
further understood in terms of the tunneling barrier variation upon molecular
charging, as well as of the different orbitals involved in the tunneling
process
Cell-permeable succinate rescues platelet mitochondrial respiration in COVID-19 patients : [abstract]
Proving Tight Bounds on Univariate Expressions with Elementary Functions in Coq
International audienceThe verification of floating-point mathematical libraries requires computing numerical bounds on approximation errors. Due to the tightness of these bounds and the peculiar structure of approximation errors, such a verification is out of the reach of generic tools such as computer algebra systems. In fact, the inherent difficulty of computing such bounds often mandates a formal proof of them. In this paper, we present a tactic for the Coq proof assistant that is designed to automatically and formally prove bounds on univariate expressions. It is based on a formalization of floating-point and interval arithmetic, associated with an on-the-fly computation of Taylor expansions. All the computations are performed inside Coq's logic, in a reflexive setting. This paper also compares our tactic with various existing tools on a large set of examples
On-surface synthesis of heptacene on Ag(001) from brominated and non-brominated tetrahydroheptacene precursors
Achieving the Ag(001)-supported synthesis of heptacene from two related reactants reveals the effect of the presence of Br atoms on the reaction process. The properties of reactants, intermediates and end-products are further characterized by scanning tunneling microscopy and spectroscopy.Fil: Colazzo, Luciano. Donostia International Physics Center; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Mohammed, Mohammed S. G.. Donostia International Physics Center; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Dorel, Ruth. Barcelona Institute of Science and Technology; EspañaFil: Nita, Pawel. Donostia International Physics Center; España. Consejo Superior de Investigaciones Científicas; EspañaFil: García Fernández, Carlos. Donostia International Physics Center; EspañaFil: Abufager, Paula Natalia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; ArgentinaFil: Lorente Palacios, Nicolas. Donostia International Physics Center; España. Consejo Superior de Investigaciones Científicas; EspañaFil: Echavarren, Antonio M.. Barcelona Institute of Science and Technology; España. Universitat Rovira I Virgili; EspañaFil: De Oteyza, Dimas G.. Donostia International Physics Center; España. Consejo Superior de Investigaciones Científicas; España. Ikerbasque; Españ
Neuroblastoma signalling models unveil combination therapies targeting feedback-mediated resistance
Very high risk neuroblastoma is characterised by increased MAPK signalling, and targeting MAPK signalling is a promising therapeutic strategy. We used a deeply characterised panel of neuroblastoma cell lines and found that the sensitivity to MEK inhibitors varied drastically between these cell lines. By generating quantitative perturbation data and mathematical modelling, we determined potential resistance mechanisms. We found that negative feedbacks within MAPK signalling and to the IGF receptor mediate re-activation of MAPK signalling upon treatment in resistant cell lines. By using cell-line specific models, we predict that combinations of MEK inhibitors with RAF or IGFR inhibitors can overcome resistance, and tested these predictions experimentally. In addition, phospo-proteomics profiles confirm the cell-specific feedback effects and synergy of MEK and IGFR targeted treatements. Our study shows that a quantitative understanding of signalling and feedback mechanisms facilitated by models can help to develop and optimise therapeutic strategies, and our findings should be considered for the planning of future clinical trials introducing MEKi in the treatment of neuroblastoma
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