A Three-Dimensional Dynamic Supramolecular "Sticky Fingers" Organic Framework.

Engineering high-recognition host-guest materials is a burgeoning area in basic and applied research. The challenge of exploring novel porous materials with advanced functionalities prompted us to develop dynamic crystalline structures promoted by soft interactions. The first example of a pure molecular dynamic crystalline framework is demonstrated, which is held together by means of weak "sticky fingers" van der Waals interactions. The presented organic-fullerene-based material exhibits a non-porous dynamic crystalline structure capable of undergoing single-crystal-to-single-crystal reactions. Exposure to hydrazine vapors induces structural and chemical changes that manifest as toposelective hydrogenation of alternating rings on the surface of the [60]fullerene. Control experiments confirm that the same reaction does not occur when performed in solution. Easy-to-detect changes in the macroscopic properties of the sample suggest utility as molecular sensors or energy-storage materials

Hallazgo de una nueva columna miliaria perteneciente a la Via Augusta

By means of this article we let you know about the discovery of a new milliary column which belonged to the Roman Via Augusta. It has been found in the environs of La Torrecilla industrial area close to Córdoba. Its chronology based upon epigraphic analysis allow us to date it in the early years of Nero mandate.Mediante este artículo damos a conocer una nueva columna miliaria correspondiente a la Via Augusta y hallada en las inmediaciones del Polígono Industrial de La Torrecilla. Su cronología, basada en el análisis epigráfico, nos permite adjudicarla al emperador Nerón, en los primeros años de su mandato

Broken-symmetry magnetic phases in two-dimensional triangulene crystals

We provide a comprehensive theory of magnetic phases in two-dimensional triangulene crystals, using both Hubbard model and density functional theory (DFT) calculations. We consider centrosymmetric and non-centrosymmetric triangulene crystals. In all cases, DFT and mean-field Hubbard model predict the emergence of broken-symmetry antiferromagnetic (ferrimagnetic) phases for the centrosymmetric (non-centrosymmetric) crystals. This includes the special case of the [4,4]triangulene crystal, whose non-interacting energy bands feature a gap with flat valence and conduction bands. We show how the lack of contrast between the local density of states of these bands, recently measured via scanning tunneling spectroscopy, is a natural consequence of a broken-symmetry N\'eel state that blocks intermolecular hybridization. Using random phase approximation, we also compute the spin wave spectrum of these crystals, including the recently synthesized [4,4]triangulene crystal. The results are in excellent agreement with the predictions of a Heisenberg spin model derived from multi-configuration calculations for the unit cell. We conclude that experimental results are compatible with an antiferromagnetically ordered phase where each triangulene retains the spin predicted for the isolated species

Angle-resolved photoemission study and first principles calculation of the electronic structure of GaTe

The electronic band structure of GaTe has been calculated by numerical atomic orbitals density-functional theory, in the local density approximation. In addition, the valence-band dispersion along various directions of the GaTe Brillouin zone has been determined experimentally by angle-resolved photoelectron spectroscopy. Along these directions, the calculated valence-band structure is in good concordance with the valence-band dispersion obtained by these measurements. It has been established that GaTe is a direct-gap semiconductor with the band gap located at the Z point, that is, at Brillouin zone border in the direction perpendicular to the layers. The valence-band maximum shows a marked \textit{p}-like behavior, with a pronounced anion contribution. The conduction band minimum arises from states with a comparable \textit{s}- \textit{p}-cation and \textit{p}-anion orbital contribution. Spin-orbit interaction appears to specially alter dispersion and binding energy of states of the topmost valence bands lying at $\Gamma$. By spin-orbit, it is favored hybridization of the topmost \textit{p}$_z$-valence band with deeper and flatter \textit{p$_x$}-\textit{p$_y$} bands and the valence-band minimum at $\Gamma$ is raised towards the Fermi level since it appears to be determined by the shifted up \textit{p$_x$}-\textit{p$_y$} bands.Comment: 7 text pages, 6 eps figures, submitted to PR

New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization

In the present work, five new Ni5 clusters employing the versatile 2-pyridylcyanoxime ligand have been synthesized and chemically, structurally, and magnetically characterized. The crystallographic examination of these Ni5 clusters together with those already published in the literature, giving a total number of 14 complexes, exhibiting up to 8 different topologies for which the relationship between topology, reaction conditions and magnetic response has been analyzed. DC magnetic measurements were carried in the 300-2 K range for the new complexes and the analysis of the experimental data revealed an antiferromagnetic response for the oximato mediated interactions with a variety of ground states (S = 0, 1, 3) as function of the cluster topology

Prognostic value of replication errors on chromosomes 2p and 3p in non-small-cell lung cancer

As chromosomes 2p and 3p are frequent targets for genomic instability in lung cancer, we have addressed whether alterations of simple (CA)n DNA repeats occur in non-small-cell lung cancer (NSCLC) at early stages. We have analysed by polymerase chain reaction (PCR) assay replication errors (RER) and loss of heterozygosity (LOH) at microsatellites mapped on chromosomes 2p and 3p in 64 paired tumour-normal DNA samples from consecutively resected stage I, II or IIIA NSCLC. DNA samples were also examined for K-ras and p53 gene mutations by PCR-single-stranded conformational polymorphism (PCR-SSCP) analysis and cyclic sequencing, as well as their relationship with clinical outcome. Forty-two of the 64 (66%) NSCLC patients showed RER at single or multiple loci. LOH was detected in 23 tumours (36%). Among patients with stage I disease, the 5-year survival rate was 80% in those whose tumours had no evidence of RER and 26% in those with RER (P = 0.005). No correlation was established between RER phenotype and LOH, K-ras or p53 mutations. RER remained a strong predictive factor (hazard ratio for death, 2.89; 95% confidence interval, 2.23-3.79; P = 0.002) after adjustment for all other evaluated factors, including p53, K-ras, LOH, histological type, tumour differentiation and TNM stage, suggesting that microsatellite instability on chromosomes 2p and 3p may play a role in NSCLC progression through a different pathway from the traditional tumour mechanisms of oncogene activation and/or tumour-suppressor gene inactivation

Stiff monatomic gold wires with a spinning zigzag geometry

Using first principles density functional calculations, gold monatomic wires are found to exhibit a zigzag shape which remains under tension, becoming linear just before breaking. At room temperature they are found to spin, what explains the extremely long apparent interatomic distances shown by electron microscopy.The zigzag structure is stable if the tension is relieved, the wire holding its chainlike shape even as a free-standing cluster. This unexpected metallic-wire stiffness stems from the transverse quantization in the wire, as shown in a simple free electron model.Comment: 4 pages, latex, 5 figures, submitted to PR

Strings in Cosmological and Black Hole Backgrounds: Ring Solutions

The string equations of motion and constraints are solved for a ring shaped Ansatz in cosmological and black hole spacetimes. In FRW universes with arbitrary power behavior [R(X^0) = a\;|X^0|^{\a}\, ], the asymptotic form of the solution is found for both $X^0 \to 0$ and $X^0 \to \infty$ and we plot the numerical solution for all times. Right after the big bang ($X^0 = 0$), the string energy decreasess as $R(X^0)^{-1}$ and the string size grows as $R(X^0)$ for $0 1$. Very soon [ $X^0 \sim 1$] , the ring reaches its oscillatory regime with frequency equal to the winding and constant size and energy. This picture holds for all values of \a including string vacua (for which, asymptotically, \a = 1). In addition, an exact non-oscillatory ring solution is found. For black hole spacetimes (Schwarzschild, Reissner-Nordstr\oo m and stringy), we solve for ring strings moving towards the center. Depending on their initial conditions (essentially the oscillation phase), they are are absorbed or not by Schwarzschild black holes. The phenomenon of particle transmutation is explicitly observed (for rings not swallowed by the hole). An effective horizon is noticed for the rings. Exact and explicit ring solutions inside the horizon(s) are found. They may be interpreted as strings propagating between the different universes described by the full black hole manifold.Comment: Paris preprint PAR-LPTHE-93/43. Uses phyzzx. Includes figures. Text and figures compressed using uufile

Propiedades mecánicas y acústicas de hormigones con áridos reciclados y neumáticos fuera de uso

Industrial progress used to be linked to the produce of large waste volumes. These industrial by-products are deposited in landfills despite these ones could be used to manufacture others. In fact, the construction industry could incorporate these materials to contributing to greater environmental balance. This paper studies the manufactured of concrete using as aggregates two kind of different wastes: construction and demolition wastes as well as recycled tires rubber (NFU). Natural fine fraction is replaced by a 10% by volume of industrial products analyzed. The mechanical behaviour and the acoustic properties of concrete made with recycled aggregates are studied. Results show a reduction in mechanical properties by using recycled aggregates and NFU. Nevertheless, it is observed that concrete made with fine recycled aggregate fraction of NFU could be employed with all the guarantees to produce concrete for non-structural applications.El progreso industrial lleva asociado la generación de grandes volúmenes de residuos que, en la mayoría de los casos, acaban en los vertederos, desperdiciando su potencial como materias primas para otros sectores industriales, como es el sector de la construcción, por lo que debe considerarse su reutilización en nuevas aplicaciones e incorporación como subproducto en el campo de los materiales de construcción, dando lugar a materiales más ecoeficientes y respetuosos con el medioambiente. Este trabajo estudia el empleo de áridos reciclados procedentes de residuos de construcción y demolición, y caucho procedente de neumáticos fuera de uso (NFU) en la fabricación de hormigones. La fracción fina natural ha sido sustituida por un 10% en volumen de los subproductos industriales analizados. El comportamiento físico, mecánico y las propiedades acústicas de los hormigones ha sido comparado con los hormigones de referencia. En los resultados se observa una reducción de las resistencias mecánicas y del modulo de elasticidad por el empleo de áridos reciclados y NFU. Se muestra que los hormigones fabricados con la fracción fina de áridos reciclados y NFU podrían ser empleados con todas las garantías en hormigones para aplicaciones no estructurales