Pyrimidine and pyrazine as N-donor ligands in mercurous complexes: [Hg-2(Pym)]NO3)(2), [Hg-2(Pym)](ClO4)(2), and [Hg-2(Pyp)(2)](ClO4)(2)

Colourless single crystals of [Hg-2(Pym)](NO3)(2), [Hg-2(Pym)](ClO4)(2) and [Hg-2(Pyp)(2)](ClO4)(2) were obtained from aqueous solutions of the respective components Hg-2(NO3)(2).2H(2)O, Hg-2(ClO4)(2).6H(2)O, pyrimidine (Pym) and pyrazine (Pyp). The crystal structures were determined from single-crystal X-ray diffractometer data. [Hg-2(Pym)](NO3)(2): monoclinic, C2/c, Z = 8, a = 1607.4(2), b = 652.79(7), c = 2000.5(2) pm, beta = 103.42(2)degrees, R-all = 0.0530; [Hg-2(Pym)](ClO4)(2): orthorhombic, Pnma, Z = 4, a = 1182.7(2), b = 1662.5(2), c = 607.9(1) pm, R-all = 0.0438; [Hg-2(Pyp)(2)](ClO4)(2): orthorhombic, Aba2, Z = 4, a = 1529.39(9), b = 1047.10(14), c = 1133.49(15) pm, R-all = 0.0381. The crystal structures of [Hg-2(Pym)](NO3)(2) and [Hg-2(Pym)](ClO4)(2) contain polymeric cationic chains [Hg-2(Pym)](+) that are arranged to corrugated layers between which the anions are situated. [Hg-2(Pyp)(2)](ClO4)(2) consists of polymeric cationic layers that are built from (Hg-2)(2)(Hg-2)(2/2)(Pyp)(4) rings connected to each other; the perchlorate tetrahedra are located between these layers.

Measuring conflict and agreement between two prioritized knowledge bases in possibilistic logic.

In this paper we investigate the relationship between two prioritized knowledge bases by measuring both the conflict and the agreement between them.First of all, a quantity of conflict and two quantities of agreement are defined. The former is shown to be a generalization of the well-known Dalal distance which is the hamming distance between two interpretations. The latter are, respectively, a quantity of strong agreement which measures the amount ofinformation on which two belief bases “totally” agree, and a quantity of weak agreement which measures the amount of information that is believed by onesource but is unknown to the other. All three quantity measures are based on the weighted prime implicant, which represents beliefs in a prioritized belief base. We then define a degree of conflict and two degrees of agreement based on our quantity of conflict and quantities of agreement. We also consider the impact of these measures on belief merging and information source ordering.

Bis-guanylhydrazone diimidazo[1,2-a:1,2-c]pyrimidine as a novel and specific G-quadruplex binding motif

A bis-guanylhydrazone derivative of diimidazo[1,2-a:1,2-c]pyrimidine has unexpectedly been found to be a potent stabiliser of several quadruplex DNAs, whereas there is no significant interaction with duplex DNA. Molecular modeling suggests that the guanylhydrazone groups play an active role in quadruplex binding.

1-amenability of A(X) for Banach spaces with 1-unconditional bases

The main result of the note is a characterization of 1-amenability of Banach algebras of approximable operators for a class of Banach spaces with 1-unconditional bases in terms of a new basis property. It is also shown that amenability and symmetric amenability are equivalent concepts for Banach algebras of approximable operators, and that a type of Banach space that was long suspected to lack property A has in fact the property. Some further ideas on the problem of whether or not amenability (in this setting) implies property A are discussed.

Excess Electron Localization in Solvated DNA Bases

We present a first-principles molecular dynamics study of an excess electron in condensed phase models of solvated DNA bases. Calculations on increasingly large microsolvated clusters taken from liquid phase simulations show that adiabatic electron affinities increase systematically upon solvation, as for optimized gas-phase geometries. Dynamical simulations after vertical attachment indicate that the excess electron, which is initially found delocalized, localizes around the nucleobases within a 15 fs time scale. This transition requires small rearrangements in the geometry of the bases.

A Syntax-based approach to measuring the degree of inconsistency for belief bases

Measuring the degree of inconsistency of a belief base is an important issue in many real world applications. It has been increasingly recognized that deriving syntax sensitive inconsistency measures for a belief base from its minimal inconsistent subsets is a natural way forward. Most of the current proposals along this line do not take the impact of the size of each minimal inconsistent subset into account. However, as illustrated by the well-known Lottery Paradox, as the size of a minimal inconsistent subset increases, the degree of its inconsistency decreases. Another lack in current studies in this area is about the role of free formulas of a belief base in measuring the degree of inconsistency. This has not yet been characterized well. Adding free formulas to a belief base can enlarge the set of consistent subsets of that base. However, consistent subsets of a belief base also have an impact on the syntax sensitive normalized measures of the degree of inconsistency, the reason for this is that each consistent subset can be considered as a distinctive plausible perspective reflected by that belief base,whilst eachminimal inconsistent subset projects a distinctive viewof the inconsistency. To address these two issues,we propose a normalized framework formeasuring the degree of inconsistency of a belief base which unifies the impact of both consistent subsets and minimal inconsistent subsets. We also show that this normalized framework satisfies all the properties deemed necessary by common consent to characterize an intuitively satisfactory measure of the degree of inconsistency for belief bases. Finally, we use a simple but explanatory example in equirements engineering to illustrate the application of the normalized framework.

Selective oxidation of a pyrimidine thioether using supported tantalum catalysts

Ta2O5-SiO2 catalysts were prepared by a sol-gel method using tetraethyl orthosilicate (TEOS) and tantalum (V) ethoxide as the sources of silicon and tantalum, and two families of quaternary ammonium salts, [CnH(2n+1)(CH3)(3)N]Br (n = 14, 16, 18) and [(CnH(2n+1))(4)N]Br (n = 10, 12, 16, 18) as surfactants. The catalysts were compared for the selective suffoxidation of 4,6-dimethyl-2-thiomethylpyrimidine using peroxide as an oxidising agent in a range of ionic liquids and organic solvents. The sol-gel catalysts were also compared with tantalum on MCM-41 prepared by grafting. The catalysts were characterized from adsorption-desorption isotherms of N-2, XRD patterns, small-angle X-ray scattering, IR spectra from adsorbed pyridine and CDCl3, XPS spectra, and Si-29 magic angle spinning (MAS) NNIR experiments. The effect of recycling on the catalyst leaching and selectivity/activity was also studied. High activities and selectivities were found in [NTf2](-) based ionic liquids and organic solvents with good recyclability of the catalyst. Tantalum was found in the solution after reaction; however, this was determined to be due to entrapment of catalyst particulates, as opposed to leaching of the active metal. (c) 2005 Elsevier Inc. All rights reserved.

Measuring the blame of each formula for inconsistent prioritized knowledge bases.

It is increasingly recognized that identifying the degree of blame or responsibility of each formula for inconsistency of a knowledge base (i.e. a set of formulas) is useful for making rational decisions to resolve inconsistency in that knowledge base. Most current techniques for measuring the blame of each formula with regard to an inconsistent knowledge base focus on classical knowledge bases only. Proposals for measuring the blames of formulas with regard to an inconsistent prioritized knowledge base have not yet been given much consideration. However, the notion of priority is important in inconsistency-tolerant reasoning. This article investigates this issue and presents a family of measurements for the degree of blame of each formula in an inconsistent prioritized knowledge base by using the minimal inconsistent subsets of that knowledge base. First of all, we present a set of intuitive postulates as general criteria to characterize rational measurements for the blames of formulas of an inconsistent prioritized knowledge base. Then we present a family of measurements for the blame of each formula in an inconsistent prioritized knowledge base under the guidance of the principle of proportionality, one of the intuitive postulates. We also demonstrate that each of these measurements possesses the properties that it ought to have. Finally, we use a simple but explanatory example in requirements engineering to illustrate the application of these measurements. Compared to the related works, the postulates presented in this article consider the special characteristics of minimal inconsistent subsets as well as the priority levels of formulas. This makes them more appropriate to characterizing the inconsistency measures defined from minimal inconsistent subsets for prioritized knowledge bases as well as classical knowledge bases. Correspondingly, the measures guided by these postulates can intuitively capture the inconsistency for prioritized knowledge bases.