Nonmagnetic insulator state in Na1CoO2 and phase separation of na vacancies

Crystallographic, magnetic, and NMR properties of a Na1CoO2 single crystal with x approximately = 1 are presented. We identify the stoichiometric Na1CoO2 phase, which is shown to be a nonmagnetic insulator, as expected for homogeneous planes of Co3+ ions with S = 0. In addition, we present evidence that, because of slight average Na deficiency, chemical and electronic phase separation leads to a segregation of Na vacancies into the well-defined, magnetic, Na0.8CoO2 phase. The importance of phase separation is discussed in the context of magnetic order for x approximately = 0.8 and the occurrence of a metal-insulator transition for x --> 1.     

Rationalité des séries de poincaré et des fonctions zêta motiviques

Soient k un corps de caractéristique 0 et X une k[[t]]-variété (éventuellement singulière) plate, purement de dimension relative d. Nous prouvons la rationalité des séries de Poincaré motiviques et de fonctions Zêta dIgusa motiviques, associées à X, à laide de lintégration motivique, du théorème de désingularisation plongée dHironaka, de la théorie des modèles de Néron faibles pour les schémas formels et dun théorème délimination des quantificateurs en théorie des modèles.Revised version: 17 March 2004     

Fundamental Domains for Finite Subgroups in <Emphasis Type="Italic">U</Emphasis>(2) and Configurations of Lagrangians

We show that every finite subgroup of U(2) is contained with index two in a group generated by involutions fixing Lagrangian planes. We describe fundamental domains for their action on related to the configuration of these Lagrangian planes.     

Quantitative determination of the 3D dipole orientation of single molecules

Recently, different approaches have been implemented to detect single molecules with an optical dipole out of the sample plane. Principles to solve this problem of general interest have been laid but no detailed analysis has been performed to date. This paper is devoted to a quantitative analysis of the dipole orientation of out of plane molecules that we have detected by amplitude and phase masking of the input beam. The accuracy of the orientation is discussed.Received: 22 July 2003, Published online: 2 December 2003PACS: 32.50. + d Fluorescence, phosphorescence (including quenching)     

The parameterization and validation of generalized born models using the pairwise descreening approximation

Generalized Born Surface Area (GBSA) models for water using the Pairwise Descreening Approximation (PDA) have been parameterized by two different methods. The first method, similar to that used in previously reported parameterizations, optimizes all parameters against the experimental free energies of hydration of organic molecules. The second method optimizes the PDA parameters to compensate only for systematic errors of the PDA. The best models are compared to Poisson-Boltzmann calculations and applied to the computation of potentials of mean force (PMFs) for the association of various molecules. PMFs present a more rigorous test of the ability of a solvation model to correctly reproduce the screening of intermolecular interactions by the solvent, than its accuracy at predicting free energies of hydration of small molecules. Models derived with the first method are sometimes shown to fail to compute accurate potentials of mean force because of large errors in the computation of Born radii, while no such difficulties are observed with the second method. Furthermore, accurate computation of the Born radii appears to be more important than good agreement with experimental free energies of solvation. We discuss the source of errors in the potentials of mean force and suggest means to reduce them. Our findings suggest that Generalized Born models that use the Pairwise Descreening Approximation and that are derived solely by unconstrained optimization of parameters against free energies of hydration should be applied to the modeling of intermolecular interactions with caution.     

Design and synthesis of a novel family of semi-rigid ligands: versatile compounds for the preparation of 99mTc radiopharmaceuticals

Synthetic pathways to a range of novel semi-rigid tetradentate ligands, with sulfur, amido or amino donor groups, designed to coordinate technetium 99m have been developed. The technetium-99m complexes have been prepared and their stabilities in serum and by metathesis reaction via cysteine exchange reactions were compared. HPLC comparison of two (99m)Tc-complexes and their rhenium analogues led to the first proof of the nature of our radioactive complexes.     

Free Wreath Product by the Quantum Permutation Group

Let A be a compact quantum group, let nN ^* and let A _aut(X _n ) be the quantum permutation group on n letters. A free wreath product construction A*_w A _aut(X _n ) is introduced. This construction provides new examples of quantum groups, and is useful to describe the quantum automorphism group of the n-times disjoint union of a finite connected graph.     

A mixed-bridging ligand nonanuclear Ru(II) dendrimer containing a tris- chelating core. Synthesis and redox properties

The first ligand-cored dendrimer based on branching Ru(II) centers and containing mixed polypyridine bridging ligands has been prepared; redox experiments suggest that the redox-active core is not reduced at the expected potential, probably as a consequence of shielding induced by the rigid dendritic array.     

Absorbing phase transitions of branching-annihilating random walks

The phase transitions to absorbing states of the branching-annihilating reaction-diffusion processes mA-->(m+k)A, nA-->(n-l)A are studied systematically in one space dimension within a new family of models. Four universality classes of nontrivial critical behavior are found. This provides, in particular, the first evidence of universal scaling laws for pair and triplet processes.