The confinement of phonon propagation in TiAlN/Ag multilayer coatings with anomalously low heat conductivity

TiAlN/Ag multilayer coatings with a different number of bilayers and thicknesses of individual layers were fabricated by DC magnetron co-sputtering. Thermal conductivity was measured in dependence of Ag layer thickness. It was found anomalous low thermal conductivity of silver comparing to TiAlN and Ag bulk standards and TiAlN/TiN multilayers. The physical nature of such thermal barrier properties of the multilayer coatings was explained on the basis of reflection electron energy loss spectroscopy. The analysis shows that nanostructuring of the coating decreases the density of states and velocity of acoustic phonons propagation. At the same time, multiphonon channels of heat propagation degenerate. These results demonstrate that metal-dielectric interfaces in TiAlN/Ag coatings are insurmountable obstacles for acoustic phonons propagation

Reversible Graphene decoupling by NaCl photo-dissociation

We describe the reversible intercalation of Na under graphene on Ir(111) by photo-dissociation of a previously adsorbed NaCl overlayer. After room temperature evaporation, NaCl adsorbs on top of graphene forming a bilayer. With a combination of electron diffraction and photoemission techniques we demonstrate that the NaCl overlayer dissociates upon a short exposure to an X-ray beam. As a result, chlorine desorbs while sodium intercalates under the graphene, inducing an electronic decoupling from the underlying metal. Low energy electron diffraction shows the disappearance of the moir\'e pattern when Na intercalates between graphene and iridium. Analysis of the Na 2p core-level by X-ray photoelectron spectroscopy shows a chemical change from NaCl to metallic buried Na at the graphene/Ir interface. The intercalation-decoupling process leads to a n-doped graphene due to the charge transfer from the Na, as revealed by constant energy angle resolved X-ray photoemission maps. Moreover, the process is reversible by a mild annealing of the samples without damaging the graphene

3D-QSAR/CoMFA Models as a Tool for Biocatalysis and Protein Engineering

The x-ray structure of an enzyme is taken into account, when available, as the reference model to explain catalytic activity and selectivity. Unfortunately, in most of the cases the structure is available only as apostructure, i.e. without the substrate bound to the active site, and it is strange to find many different enzyme-substrate complexes of a specific enzyme as crystals. Moreover this structure is not the "real" structure of the protein during catalysis as the crystal is stationary. In this paper we propose the use of CoMFA models to evaluate the differences betweenthe crystal and the real structure of the enzyme under reaction conditions. In addition to the stationary nature of a crystal, the experimental limitations of crystallographic techniques to obtain crystals in a fast and reliable manner, give a chance to the creation of CoMFA models by evaluating the easy to obtain catalytic properties of enzyme variants to provide information about the structural changes produced by the mutations. By means of the evaluation of different structures as substrates CoMFA models will not only provide information about the structure of the enzyme, but also about the flexibility and potential conformational changes of the substrate binding site

Patterson Function from Low-Energy Electron Diffraction Measured Intensities and Structural Discrimination

Surface Patterson Functions have been derived by direct inversion of experimental Low-Energy Electron Diffraction I-V spectra measured at multiple incident angles. The direct inversion is computationally simple and can be used to discriminate between different structural models. 1x1 YSi_2 epitaxial layers grown on Si(111) have been used to illustrate the analysis. We introduce a suitable R-factor for the Patterson Function to make the structural discrimination as objective as possible. From six competing models needed to complete the geometrical search, four could easily be discarded, achieving a very significant and useful reduction in the parameter space to be explored by standard dynamical LEED methods. The amount and quality of data needed for this analysis is discussed.Comment: 5 pages, 4 figure

Hahb-4, a homeobox-leucine zipper gene potentially involved in abscisic acid-dependent responses to water stress in sunflower

The nucleotide sequence data reported will appear in the EMBL, GenBank and DDBJ Nucleotide Sequence Databases under the accession numbers AF339748 and AF339749.Homeodomain-leucine zipper proteins constitute a family of transcription factors found only in plants. We have characterized a full-length cDNA encoding the sunflower homeobox-leucine zipper protein Hahb-4 (Helianthus annuus homeo box-4). The complete cDNA is 674 base pairs long and contains an open reading frame of 177 amino acids that belongs to the Hd-Zip I subfamily. Northern blot and RNAse A protection analysis show that the expression of Hahb-4 is rapidly, strongly and reversibly induced by water deficit in whole seedlings, roots, stems and leaves. A similar fast induction of Hahb-4 expression is observed when seedlings are subjected to a treatment with the hormone abscisic acid (ABA). Nuclei prepared from seedlings treated with ABA or subjected to water stress show a significant increase of protein(s) that specifically bind the sequence 5′-CAAT(A/T)ATTG-3′, recognized in vitro by Hahb-4, suggesting that an active protein is synthesized in response to these treatments. The promoter region of the Hahb-4 gene contains sequences that fit the consensus for a G-box present in some ABA responsive elements (ABREs). We propose that Hahb-4 may function in signalling cascade(s) that control(s) a subset of the ABAmediated responses of sunflower to water stress.This work was supported by grants from CONICET, ANPCyT, Fundación Antorchas (Argentina) and Universidad Nacional del Litoral. R.L.C. and D.H.G. are members of CONICET; G.M.G. is a fellow of the same Institution. The laboratory work of J.J. and C.A. was also supported by grants BIO99-794 (from the Spanish Comisión Interministerial de Ciencia y Tecnología) and CVI 148 (from Plan Andaluz de Investigación).Peer reviewe

Interface-Induced Plasmon Nonhomogeneity in Nanostructured Metal-Dielectric Planar Metamaterial

Transformations of the electronic structure in thin silver layers in metal-dielectric (TiAlN/Ag) multilayer nanocomposite were investigated by a set of electron spectroscopy techniques. Localization of the electronic states in the valence band and reduction of electron concentration in the conduction band was observed. This led to decreasing metallic properties of silver in the thin films. A critical layer thickness of 23.5 nm associated with the development of quantum effects was determined by X-ray photoelectron spectroscopy. Scanning Auger electron microscopy of characteristic energy losses provided images of plasmon localization in the Ag layers. The nonuniformity of plasmon intensities distribution near the metal-nitride interfaces was assessed experimentally

Coulomb explosion sputtering of selectively oxidized Si

We have studied multiply charged Arq+ ion induced potential sputtering of a unique system comprising of coexisting Silicon and Silicon oxide surfaces. Such surfaces are produced by oblique angle oxygen ion bombardment on Si(100), where ripple structures are formed and one side of each ripple gets more oxidized. It is observed that higher the potential energy of Arq+ ion, higher the sputtering yield of the non conducting (oxide) side of the ripple as compared to the semiconducting side. The results are explained in terms of Coulomb explosion model where potential sputtering depends on the conductivity of the ion impact sites.Comment: 9 pages and 3 figure

An Axiomatic Setup for Algorithmic Homological Algebra and an Alternative Approach to Localization

In this paper we develop an axiomatic setup for algorithmic homological algebra of Abelian categories. This is done by exhibiting all existential quantifiers entering the definition of an Abelian category, which for the sake of computability need to be turned into constructive ones. We do this explicitly for the often-studied example Abelian category of finitely presented modules over a so-called computable ring $R$, i.e., a ring with an explicit algorithm to solve one-sided (in)homogeneous linear systems over $R$. For a finitely generated maximal ideal $\mathfrak{m}$ in a commutative ring $R$ we show how solving (in)homogeneous linear systems over $R_{\mathfrak{m}}$ can be reduced to solving associated systems over $R$. Hence, the computability of $R$ implies that of $R_{\mathfrak{m}}$. As a corollary we obtain the computability of the category of finitely presented $R_{\mathfrak{m}}$-modules as an Abelian category, without the need of a Mora-like algorithm. The reduction also yields, as a by-product, a complexity estimation for the ideal membership problem over local polynomial rings. Finally, in the case of localized polynomial rings we demonstrate the computational advantage of our homologically motivated alternative approach in comparison to an existing implementation of Mora's algorithm.Comment: Fixed a typo in the proof of Lemma 4.3 spotted by Sebastian Posu