A Ramsey‐type problem and the Turán numbers*

For each n and k, we examine bounds on the largest number m so that for any k‐coloring of the edges of K_n there exists a copy of K_m whose edges receive at most k?1 colors. We show that for , the largest value of m is asymptotically equal to the Turá number , while for any constant then the largest m is asymptotically larger than that Turá number. © 2002 Wiley Periodicals, Inc. J Graph Theory 40: 120–129, 2002     

Local Primitive Causality and the Common Cause Principle in Quantum Field Theory

If (V) is a net of local von Neumann algebras satisfying standard axioms of algebraic relativistic quantum field theory and V ₁ and V ₂ are spacelike separated spacetime regions, then the system ( (V ₁ ), (V ₂ ), ) is said to satisfy the Weak Reichenbach's Common Cause Principle iff for every pair of projections A (V ₁ ), B (V ₂ ) correlated in the normal state there exists a projection C belonging to a von Neumann algebra associated with a spacetime region V contained in the union of the backward light cones of V ₁ and V ₂ and disjoint from both V ₁ and V ₂ , a projection having the properties of a Reichenbachian common cause of the correlation between A and B. It is shown that if the net has the local primitive causality property then every local system ( (V ₁ ), (V ₂ ), ) with a locally normal and locally faithful state and suitable bounded V ₁ and V ₂ satisfies the Weak Reichenbach's Common Cause Principle.     

Exact Potts Model Partition Functions for Strips of the Square Lattice

We present exact calculations of the Potts model partition function Z(G, q, v) for arbitrary q and temperature-like variable v on n-vertex square-lattice strip graphs G for a variety of transverse widths L _t and for arbitrarily great length L , with free longitudinal boundary conditions and free and periodic transverse boundary conditions. These have the form Z(G, q, v)= . We give general formulas for N _{Z, G, j} and its specialization to v=–1 for arbitrary L _t for both types of boundary conditions, as well as other general structural results on Z. The free energy is calculated exactly for the infinite-length limit of the graphs, and the thermodynamics is discussed. It is shown how the internal energy calculated for the case of cylindrical boundary conditions is connected with critical quantities for the Potts model on the infinite square lattice. Considering the full generalization to arbitrary complex q and v, we determine the singular locus , arising as the accumulation set of partition function zeros as L , in the q plane for fixed v and in the v plane for fixed q.     

Conformational analysis: a new approach by means of chemometrics

In conformational analysis, the systematic search method completely maps the space but suffers from the combinatorial explosion problem because the number of conformations increases exponentially with the number of free rotation angles. This study introduces a new methodology of conformational analysis that controls the combinatorial explosion. It is based on a dimensional reduction of the system through the use of principal component analysis. The results are exactly the same as those obtained for the complete search but, in this case, the number of conformations increases only quadratically with the number of free rotation angles. The method is applied to a series of three drugs: omeprazole, pantoprazole, lansoprazole-benzimidazoles that suppress gastric-acid secretion by means of H+, K+-ATPase enzyme inhibition.     

Selective and shape-selective Baeyer-Villiger oxidations of aromatic aldehydes and cyclic ketones with Sn-beta zeolites and H2O2

Sn-Beta is used as a heterogeneous catalyst for the Baeyer-Villiger reaction with hydrogen peroxide. Cyclic ketones are transformed into the corresponding lactones, while unsaturated ketones are oxidized to the corresponding unsaturated lactones with very high chemoselectivity. The catalyst is also selective for the oxidation of aromatic aldehydes with H2O2, producing the formate ester or the corresponding hydrolyzed product, that is the alcohol. Shape-selective oxidations are observed for isomeric reactants with different molecular shapes. The catalytic Sn sites have been characterized by 119Sn MAS-NMR spectroscopy, and tetrahedral incorporation into the zeolite framework has been demonstrated. In situ IR spectroscopy and 18O labeling experiments have shown that the oxidation mechanism involves an intermediate of the Criegee type.     

Pinoresinol from Ipomoea cairica cell cultures

Ipomoea cairica cell cultures produced a tetrahydrofuran lignan, (+)-pinoresinol, identified by UV, IR, MS and NMR methods, not yet found in the intact plant, and new in the Convolvulaceae family. Pinoresinol was found to have antioxidant and Ca2+ antagonist properties. As it could be requested for its biological activity, we examined the possibility to raise the pinoresinol yield of I. cairica cultures, as well as we continued investigations on lignans' response to optimization.     

Nonstoichiometric spinel ferrites obtained from alpha-NaFeO2 via molten media reactions

Different solid/liquid "exchange" reactions involving divalent cations, protons, or ammonium ions have been performed at low/moderate temperatures (between 80 and 500 degrees C) on alpha-NaFeO2 dipped in molten salts (or acid) media. Several ferrites have been obtained which are nonstoichiometric with partially inverse spinel structures. When sodium is replaced by divalent cations (Mg2+, Co2+, Ni2+, and Zn2+), the obtained ferrites are hyperstoichiometric (cation/oxygen ratio higher than 3/4) whereas proton or ammonium reactions result in hypostoichiometric materials (cation/oxygen lower than 3/4). All these ferrites present a platelet-like morphology and show ferrimagnetic, soft magnet behavior.     

Chromone and phenanthrene alkaloids from Dennettia tripetala

Dennettine, a new 2,6-dimethoxychromone and three known phenanthrene alkaloids (uvariopsine, stephenanthrine and argentinine) in addition to the phenolic and known compound vanillin were isolated from the roots of Dennettia tripetala. Their structures were determined by physical and spectroscopical one dimensional (1D) and 2D-NMR analysis, including heteronuclear multiple bond correlation and nuclear Overhauser enhancement spectroscopy.     

A novel copper cobalt inorganometallic cluster. Synthesis,structure and bonding analysis of Cu(3)[mu(2)-(CCHCo(2)(CO)(6))](3)

The reaction of the organometallic carboxylic acid HOOCCCHCo(2)(CO)(6) with copper(II) methoxide leads to a new inorganometallic cluster; Cu(3)[mu(2)-(CCHCo(2)(CO)(6))](3). This cluster has a triangular core of copper(I) centers surrounded by three CCHCo(2)(CO)(6) fragments. The structure of the cluster has short Cu-Cu and Cu-Co distances (average 2.500 and 2.540 A, respectively). DFT calculations provide a rationalization of the peculiar bonding in this cluster.     

Gas-phase behaviour of negative ions produced from thiazidic diuretics under electrospray conditions

A systematic mass spectrometric study of 10 thiazidic diuretics and related compounds was undertaken by mass spectrometry (MS) with electrospray ionization in the negative ion mode. Collisional dissociation 'in-source' (CID-MS) and in a low-pressure collision cell (CID-MS/MS) were compared in both excitation regions. Spectra obtained by CID-MS and by CID-MS/MS were matched. Using the two methods, loss of HCl and consecutive dissociations from 2HCl losses were exhibited from compounds such as methyclothiazide and trichlormethiazide but not from other thiazidic diuretics that contain chlorine substituents in the aromatic moiety. However, deprotonated dichlorphenamide gave rise to loss of HCl by CID-MS and CID-MS/MS. For other diuretics such as hydroflumethiazide and hydrochlorothiazide, the loss of HCN and [HCN + SO(2)] was relevant. Reaction mechanisms were checked by means of deuterium-hydrogen exchange, which showed that deprotonation took place regioselectively on the heterocyclic moiety. The cleavage pathways require molecular isomerization forming ion-dipole complexes prior to decompositions, allowing long-distance proton transfer for neutral elimination. Identifications of the most specific fragmentations presented in this paper were applied to the screening and unambiguous identification of diuretics for horse doping control.