Phase transitions in the H+-conducting perovskite ceramics by the quasi-elastic neutron and high-pressure Raman scattering

H⁺-containing lanthanide-doped perovskites A(Ba, Sr etc.)B(Zr, Ce, Ti etc.)O₃ are potential ceramic membranes for fuel cell and medium temperature water electrolysis (300–800 °C). The comparison studies of the hydrated and non-hydrated Yb-doped BaZrO₃ and SrZrO₃ were performed by thermal expansion, medium–high temperature neutron and room-temperature high-pressure Raman scattering. Neutron diffraction and elastic/quasi-elastic studies carried out for BaZrO₃ ceramic show the presence of the protons, their successive diffusion above ∼600 °C, and then their departure above 750 °C (under vacuum). Phase transitions and their modification by proton insertion are discussed. A high-pressure Raman study of SrZrO₃ performed at room temperature in the diamond anvil cell reveals the presence of two pressure-induced phase transitions at about 5 and 22 GPa and confirms that proton insertion modifies the phase transition sequences. Paper presented at the 11th EuroConference on the Science and Technology of Ionics, Batz-sur-Mer, Sept. 9–15, 2007.     

Synthesis of 6-amino-5-cyano-1,4-disubstituted-2(1H)-pyrimidinones via copper-(I)-catalyzed alkyne-azide 'click chemistry' and their reactivity

In this paper we present the room temperature synthesis of a novel serie of 1,4-disubstituted-1,2,3-triazoles 4a-l by employing the (3+2) cycloaddition reaction of pyrimidinones containing alkyne functions with different model azides in the presence of copper sulphate and sodium ascorbate. To obtain the final triazoles, we also synthesized the major precursors 6-amino-5-cyano-1,4-disubstituted-2(1H)-pyrimidinones 3a-r from ethyl 2,2-dicyanovinylcarbamate derivatives 2a-c and various primary aromatic amines containing an alkyne group. The triazoles were prepared in good to very good yields.     

Π‐Stacking Functionalization of Carbon Nanotubes through Micelle Swelling

We report on a new, original and efficient method for π‐stacking functionalization of single‐wall carbon nanotubes. This method is applied to the synthesis of a high‐yield light‐harvesting system combining single‐wall carbon nanotubes and porphyrin molecules. We developed a micelle‐swelling technique that leads to controlled and stable complexes presenting an efficient energy transfer. We demonstrate the key role of the organic solvent in the functionalization mechanism. By swelling the micelles, the solvent helps the non‐water‐soluble porphyrins to reach the micelle core and allows a strong enhancement of the interaction between porphyrins and nanotubes. This technique opens new avenues for the functionalization of carbon nanostructures.     

LocalSolver 1.x: a black-box local-search solver for 0-1 programming

This paper introduces LocalSolver 1.x, a black-box local-search solver for general 0-1 programming. This software allows OR practitioners to focus on the modeling of the problem using a simple formalism, and then to defer its actual resolution to a solver based on efficient and reliable local-search techniques. Started in 2007, the goal of the LocalSolver project is to offer a model-and-run approach to combinatorial optimization problems which are out of reach of existing black-box tree-search solvers (integer or constraint programming). Having outlined the modeling formalism and the main technical features behind LocalSolver, its effectiveness is demonstrated through an extensive computational study. The version 1.1 of LocalSolver can be freely downloaded at and used for educational, research, or commercial purposes.     

Parametric inference for discretely observed multidimensional diffusions with small diffusion coefficient

We consider a multidimensional diffusion X$X$ with drift coefficient b(α,_Xt)$b(\alpha ,X_t)$ and diffusion coefficient ?σ(β,_Xt)$?\sigma (\beta ,X_t)$. The diffusion sample path is discretely observed at times _tk=kΔ$t_k=k\Delta$ for k=1…n$k=1\dots n$ on a fixed interval [0,T]$[0,T]$. We study minimum contrast estimators derived from the Gaussian process approximating X$X$ for small ?$?$. We obtain consistent and asymptotically normal estimators of α$\alpha$ for fixed Δ$\Delta$ and ?→0$?\to 0$ and of (α,β)$(\alpha ,\beta )$ for Δ→0$\Delta \to 0$ and ?→0$?\to 0$ without any condition linking ?$?$ and Δ$\Delta$. We compare the estimators obtained with various methods and for various magnitudes of Δ$\Delta$ and ?$?$ based on simulation studies. Finally, we investigate the interest of using such methods in an epidemiological framework.     

ortho‐, meta‐, and para‐Dihydroindenofluorene Derivatives as Host Materials for Phosphorescent OLEDs

This work reports the first structure–properties relationship study of ortho [2,1‐c]‐, meta [1,2‐a]‐, and para [1,2‐b]dihydroindenofluorenes, highlighting the influence of bridge rigidification on the electronic properties. This study has made it possible to devise an extended π‐conjugated molecule with both a high triplet state energy level and excellent thermal and morphological stability. As a proof of concept, dihydroindenofluorenes were used as the host in sky‐blue phosphorescent organic light‐emitting diodes (PhOLEDs) w ith high performance.     

Synthesis of Functionalized Mono‐, Bis‐, and Trisethynyltriptycenes for One‐Dimensional Self‐Assembly on Surfaces

This paper describes the synthesis of triptycene‐based building blocks that are able to interact through hydrogen bonds to form one‐dimensional self‐assembled motifs on surfaces. We designed 9,10‐diethynyltriptycene derivatives functionalized at the ethynyl end groups by a variety of hydrogen‐bonding groups for homomolecular recognition and complementary building blocks for heteromolecular recognition. We also present the synthesis of bis‐ and trisethynyltriptycenes with terminal alkyne functional groups available for on‐surface azide–alkyne cycloaddition reaction to expand the potential of the triptycene building block.