Semileptonic decays of d mesons in three-flavor lattice QCD

We present the first three-flavor lattice QCD calculations for D-->pilnu and D-->Klnu semileptonic decays. Simulations are carried out using ensembles of unquenched gauge fields generated by the MILC Collaboration. With an improved staggered action for light quarks, we are able to simulate at light quark masses down to 1/8 of the strange mass. Consequently, the systematic error from the chiral extrapolation is much smaller than in previous calculations with Wilson-type light quarks. Our results for the form factors at q(2)=0 are f(D-->pi)(+)(0)=0.64(3)(6) and f(D-->K)(+)(0)=0.73(3)(7), where the first error is statistical and the second is systematic, added in quadrature. Combining our results with experimental branching ratios, we obtain the Cabibbo-Kobayashi-Maskawa matrix elements |V(cd)|=0.239(10)(24)(20) and |V(cs)|=0.969(39)(94)(24), where the last errors are from experimental uncertainties.     

Structural covariance of graphs

Algebraic structures including multiple rank tensors, linear and non-linear operators are related to and represented with various types of graphs. Special emphasis is placed on linear operators e.g. on the Hibert space. A different graph represents the same operator depending on the basis frame used, in general non-orthonormal. All such graphs are shown to belong in one equivalence class and are termed structurally covariant. Crucial indices related to eigenvalues but invariant under any basis frame changes including non-orthonormal ones provide one way to characterize each class. A set of rules are given that allow one to find the graphs structurally covarinat with a given one and/or to deduce the class indices directly by simple pictorial manipulations on a graph. Applications in various fields including the quantum theory of molecules and reactions are indicated.     

New method for qualitative quantum chemical deductions on organic or inorganic molecules or clusters directly from structural formulas or ORTEP diagrams

A pictorial blackboard mnemonic type method presented allows the molecular orbital level patterns, the numbers of non-bonding, bonding, and anti-bonding orbitals to be figured out from the actual or tentative structural formulas (or ORTEP diagrams) of saturated or unsaturated molecules or intermediates regardless of symmetry. The simple pictorial rules are illustrated on: bicyclo[p.q.0] hydrocarbons, pyridine, alkyl groups, quaternium ions, some amines, ethers, water and alcohols, and on some fluorohydrocarbons. The readily obtained MO level patterns, e.g. during rearrangements, give a handle on the qualitative behaviour of various structures or species. The method applies also to metal atom and other clusters.List of abbreviations AO Atomic orbital - ECI Electron count index - H.F. Hartree-Fock - LPI Level pattern indices - MO Molecular orbital - SC Structurally covariant - SCF Self-consistent field - SEF Structural-electronic formula - SF Structural formula - VB Valence-bond - VIF Valency points interaction formula - VP Valency point - VL VP-VP' interaction line - VSEPR Valence shell electron pair repulsion     

Deformational covariance of graphs

Graphs on n vertices are classified into equivalence classes under the linear group L(n). All graphs representing the same operator on a vector space V _n belong to the same class. Graphs of different operators may or may not belong to the same class as ascertained by rules that were given by the author. Graphs in the same class are structurally covariant. If, in addition, two graphs can be continuously deformed into each other in the sense of varying line strengths while remaining structurally covariant throughout, then the two graphs are termed deformationally covariant along such paths. Applications in the quantum theory of chemistry and to the dynamic stability theory of coupled reaction systems which occur in various fields are indicated.     

The new pictorial structural covariance method for qualitative quantum chemistry. III: Fused polycyclics and their ions

The number of non-bonding (NBMOs), bonding, and anti-bonding MOs, the HOMO-LUMO types, reactivity to electro- or nucleophiles, qualitative relative stabilities of the neutral species, their anions or cations, are readily deduced for pi-polycyclics on the blackboard directly from the structural formulae utilizing the recently presented pictorial quantum rules. Among others, the bicyclo [p.q.0] pi-hydrocarbons are treated extensively and are found to fall into ten distinct homolog classes. In addition to the customary pi-aromatic or pi-anti-aromatic types, classes of compounds with other behaviour (e.g. one here called anti-Kekulé) are found. When an anti-aromatic ring is fused with another anti-aromatic or with a pi-aromatic ring, the resulting bicyclo-molecule is not anti-aromatic. In another series, the heptalene and other (4k + 3), (4k + 3) bicyclics have two electrons in a single NBMO, making them anti-Kekule. The method is able to distinguish between the properties of pairs of isomers such as (s-indacene; as-indacene) and (1.2,5.6-dibenzpentalene; 1.2,4.5-dibenzpentalene).     

A new biflavonoid from Solanum dulcamara L. and investigation of anti-hyperglycaemic activity of its fruit extract

A new biflavone, 6,2′,3″,5″,4?-pentahydroxy-3,7″-biflavone, has been isolated from the fruits of Solanum dulcamara L., in addition to two known compounds, β-sitosterol and stigmasterol. Their structures were established on the basis of UV, IR, 1D, 2D NMR and HR-ESI-MS spectroscopic methods. The anti-hyperglycaemic effect of S. dulcamara was investigated using diabetic rats. The anti-hyperglycaemic activity of the fruit extract of S. dulcamara was presented for the first time in this study.     

Lattice-free sets,multi-branch split disjunctions,and mixed-integer programming

In this paper we study the relationship between valid inequalities for mixed-integer sets, lattice-free sets associated with these inequalities and the multi-branch split cuts introduced by Li and Richard (Discret Optim 5:724–734, 2008). By analyzing $n$ -dimensional lattice-free sets, we prove that for every integer $n$ there exists a positive integer $t$ such that every facet-defining inequality of the convex hull of a mixed-integer polyhedral set with $n$ integer variables is a $t$ -branch split cut. We use this result to give a finite cutting-plane algorithm to solve mixed-integer programs. We also show that the minimum value $t$ , for which all facets of polyhedral mixed-integer sets with $n$ integer variables can be generated as $t$ -branch split cuts, grows exponentially with $n$ . In particular, when $n=3$ , we observe that not all facet-defining inequalities are 6-branch split cuts.     

Surface Properties of Graphene Functionalized TiO2/nHA Hybrid Coatings Made on Ti6Al7Nb Alloys via Plasma Electrolytic Oxidation (PEO)

Nano-hydroxyapatite (nHA)-matrix coatings containing graphene nanosheets (GNS)-nHA were coated on Ti6Al7Nb alloys by plasma electrolytic oxidation (PEO) treatment for the improvement of their surface properties. Crystallographic properties, functional groups, and elemental analysis of coatings were characterized by XRD, ATR–FTIR, and EDS analysis. Surface morphological changes of the coated surfaces were investigated by AFM and SEM. The electrochemical corrosion behavior of the coatings was examined by using the potentiodynamic scanning (PDS) tests under in-vitro conditions in simulated body fluid (SBF). The results showed that the GNS was successfully deposited in ceramic matrix coatings on Ti6Al7Nb alloys. Also, the microstructural observations revealed that the coatings have a porous and rough structure. The XRD and ATR–FTIR quantitative analysis have proved the appearance of HA and GNS in the coating layers. An increase in the coating thickness, surface hardness, and anatase/rutile transformation rate was determined, while the GNS ratio in the coating layers was increased. The microhardness of the nHA coating reinforced with 1.5 wt% GNS was measured at 862 HV, which was significantly higher than that of GNS-free (only nHA) coating (584 HV). The best in-vitro resistance to corrosion in SBF was observed in the nHA/1.5GNS wt% coating.