Search results for "structures"
showing 10 items of 4815 documents
Adaptive reference-free compression of sequence quality scores
2014
Motivation: Rapid technological progress in DNA sequencing has stimulated interest in compressing the vast datasets that are now routinely produced. Relatively little attention has been paid to compressing the quality scores that are assigned to each sequence, even though these scores may be harder to compress than the sequences themselves. By aggregating a set of reads into a compressed index, we find that the majority of bases can be predicted from the sequence of bases that are adjacent to them and hence are likely to be less informative for variant calling or other applications. The quality scores for such bases are aggressively compressed, leaving a relatively small number at full reso…
Spatio-temporal statistical methods in environmental and biometrical problems
2017
This is the editorial letter for the Special Issue dedicated to the VIII International Workshop on Spatio-temporal Modelling (METMAVIII) which took place in Valencia (Spain) from 1 to 3 June 2016, and to the second Galician-Portuguese meeting of Biometry, with applications to Health Sciences, Ecology and Environmental Sciences (BIOAPP2016) held in Santiago de Compostela (Spain), 30–2 July 2016. This special issue summarises and discusses selected peer-reviewed contributions related to spatial and spatio-temporal statistical methodologies comprising both new methodological approaches and a wide range of applications related to environmental and biometrical problems. Point processes, lattice …
Dynamics of Pattern Formation in Biomimetic Systems
2008
This paper is an attempt to conceptualize pattern formation in self-organizing systems and, in particular, to understand how structures, oscillations or waves arise in a steady and homogenous environment, a phenomenon called symmetry breaking. The route followed to develop these ideas was to couple chemical oscillations produced by Belousov-Zhabotinsky reaction with confined reaction environments, the latter being an essential requirement for any process of Life. Special focus was placed on systems showing organic or lipidic compartments, which represent more reliable biomimetic matrices.
Preferential azido bridging regulating the structural aspects in cobalt(III) and copper(II)–Schiff base complexes: Syntheses, magnetostructural corre…
2011
International audience; A tridentate NNO donor Schiff base ligand [(1Z,3E)-3-((pyridin-2-yl)methylimino)-1-phenylbut-1-en-1-ol = LH] in presence of azide ions coordinates with cobalt(II) and copper(II) ions giving rise to three new coordination complexes [Co2(L)2(μ1,1-N3)2(N3)2] (1), [Cu2(L)2(μ1,3-N3)]·ClO4 (2) and [(μ1,1-N3)2Cu5(μ-OL)2(μ1,1-N3)4(μ1,1,1-N3)2]n (3). The complexes have been characterized by elemental analysis, FT-IR, UV–Vis spectral studies, and single crystal X-ray diffraction studies. These complexes demonstrate that under different synthetic conditions the azide ions and the Schiff base ligand (LH) show different coordination modes with cobalt(II) and copper(II) ions, givi…
Crystal structure, magnetic and spectroscopic properties of the bis(dimethyl sulfoxide) adduct of tetra-μ-formato-dicopper(II), a new tetracarboxylat…
1994
The crystal and molecular structure of a new tetracarboxylato-bridged copper(II) dimer, the bis(dimethyl sulfoxide)tetrakis(μ-formato)dicopper(II) has been determined by X-ray diffraction methods. It crystatlizes in the tetragonal space group I41/a, with Z=8 in a cell of dimensions a=17.688(2), c=10.408(1) Å. The structure is built up of centrosymmetric neutral dimers [Cu2(HCOO)4(dmso)2], where four bidentate carboxylate anions form syn-syn bridges between the metal atoms which are in a 4 + 1 environment. Magnetic susceptibility data show that the copper atoms are strongly antiferromagnetically coupled with J=-434 cm-1. The obtained triplet-singlet energy gap is compared with those reported…
Synthesis, structural and magnetic characterizations of new complexes of di-2,6-(2-pyridylcarbonyl)pyridine (pyCOpyCOpy) ligand
2013
International audience; Using the di-2,6-(2-pyridylcarbonyl)pyridine ligand (L1) as starting framework, five new mononuclear complexes were obtained: [Cu(L1)(MeCN)(ClO4)2] (1) [Co(L1)(MeCN)(Br)2]*MeCN (2), [Fe(L1)2](BF4)2*MeOH*H2O (3), [Cr(L2a)Cl2]*2MeOH (where HL2a is (6-(hydroxyl(methoxy)(pyridin-2-yl)methyl)pyridin-2-yl)(pyridin-2-yl)methanone) (4) and one trinuclear [NiII3] complex, [Ni3(L2b)2(Bz)2(EtOH)2](ClO4)2*2EtOH (where HL2b is (6-(hydroxyl(ethoxy)(pyridin-2-yl)methyl)pyridin-2-yl)(pyridin-2-yl)methanone; Bz = benzoato) (5). Their structural and magnetic characterizations are herein reported. All the metal ions show octahedral coordination geometry, which is slightly unusual for t…
NaI/CuI–II heterometallic cages interconnected by unusual linear 2-coordinate OCN-Cu(I)-NCO links: synthesis, structural, magnetostructural correlati…
2009
A new Na(I)/Cu(I-II) heterometallic coordination complex [Cu(2)L(2)Na(NCO)(2)Cu](n) (1) with an unusual architecture has been synthesised. In 1 cyclic Na-O-Cu-O-Cu cages constructed by the tetradentate N(2)O(2) donor Schiff base ligand (H(2)L = N, N'-bis(2-hydroxyacetophenone) propylenediimine) are interconnected to each other by a rare singly end-to-end bridged OCN-Cu(I)-NCO link generating 1D chain. The complex has been characterised by elemental, spectral and structural analysis. The cyclic voltammogram of 1 has been compared with the analogous complexes. Cryomagnetic susceptibility studies indicate the copper(II) centers in the cyclic Na-O-Cu-O-Cu cages are antiferromagnetically coupled…
A Hydrogen-Bonded Supramolecular meso-Helix
2003
[EN] A new one-dimensional hydrogen-bonded polymer with a unique meso-helical structure has been prepared from the spontaneous self-assembly in the solid-state of meta-substituted phenylene dioxamic acid diethyl ester monomers. The helical nature of this molecule and its self-complementary character, through intermolecular hydrogen bonding between oxamic acid ester functions, are the two main factors responsible for the crystalline aggregation process, as confirmed by both experimental X-ray crystallographic data and theoretical ab initio calculations.
Four-, five- and six-coordinated Zn-II complexes of OH-containing ligands: Syntheses, structure and reactivity
2002
Four-, five- and six-coordinated complexes of Zn-II with OH-rich molecules possessing an ONO binding core were synthesized, characterized and their structures were established by single-crystal X-ray diffraction, The corresponding metal ion geometries were found to be distorted tetrahedral, square pyramidal and octahedral, respectively. The complexes exhibit interesting lattice structures such as layered and corrugated sheets owing to the presence of a number of weak intermolecular interactions. The five-coordinated, water-bound Zn-II complex was studied because of its putative hydrolysis property towards p-nitrophenyl acetate. (C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.
Clerodane diterpenoids from Salvia splendens.
2006
Four new clerodane diterpenoids, salvisplendins A-D (1-4), have been isolated from an acetone extract of the flowers of SalVia splendens, together with an artifact (5), arising from salvisplendin D (4) by addition of diazomethane, and the already known clerodane olearin (6). The structures of the new compounds (1-5) were established mainly by 1D and 2D NMR spectroscopic studies and, in the case of salvisplendin A (1), by chemical correlation with splenolide B (7). Complete 1H and 13C NMR assignments for olearin (6), not published hitherto, are also reported.