An improved Cu-based catalyst system for the reactions of alcohols with aryl halides

The use of 3,4,7,8-tetramethyl-1,10-phenanthroline (Me(4)Phen) as a ligand improves the Cu-catalyzed cross-coupling reactions of aryl iodides and bromides with primary and secondary aliphatic, benzylic, allylic, and propargylic alcohols. Most importantly, by employing this catalyst system, the need to use an excessive quantity of the alcohol coupling partner is alleviated. The relatively mild conditions, short reaction times, and moderately low catalyst loading allow for a wide array of functional groups to be tolerated on both the electrophilic and nucleophilic coupling partners.     

Transport and Reaction Characteristics of Reconstructed Polyolefin Particles

The 3D spatial structure of porous polyethylene particles was reconstructed from their X‐ray micro‐tomography images. Several polyolefin particles with an artificial granular structure were generated. Transport in reconstructed particles was calculated for the case of a monomer diffusing through both the pores and the polymer. The calculated degassing characteristics of reconstructed polyolefin particles can be compared to experiments. Monomer mass transport limitations are important not only in the early stage of particle growth, but also in fully‐developed polyolefin particles. The problems and limitations of the developed method are discussed. The method developed allows prediction of the effect of particle structure on mass transport limitations for real particle structures.

     

On a graph packing conjecture by Bollobás,Eldridge and Catlin

Two graphs G ₁ and G ₂ of order n pack if there exist injective mappings of their vertex sets into [n], such that the images of the edge sets are disjoint. In 1978, Bollobás and Eldridge, and independently Catlin, conjectured that if (Δ(G ₁) + 1)(Δ(G ₂) + 1) ≤ n + 1, then G ₁ and G ₂ pack. Towards this conjecture, we show that for Δ(G ₁),Δ(G ₂) ≥ 300, if (Δ(G ₁) + 1)(Δ(G ₂) + 1) ≤ 0.6n + 1, then G ₁ and G ₂ pack. This is also an improvement, for large maximum degrees, over the classical result by Sauer and Spencer that G ₁ and G ₂ pack if Δ(G ₁)Δ(G ₂) < 0.5n. This work was supported in part by NSF grant DMS-0400498. The work of the second author was also partly supported by NSF grant DMS-0650784 and grant 05-01-00816 of the Russian Foundation for Basic Research. The work of the third author was supported in part by NSF grant DMS-0652306.     

On k‐detour subgraphs of hypercubes

A spanning subgraph G of a graph H is a k‐detour subgraph of H if for each pair of vertices , the distance, , between x and y in G exceeds that in H by at most k. Such subgraphs sometimes also are called additive spanners. In this article, we study k‐detour subgraphs of the n‐dimensional cube, , with few edges or with moderate maximum degree. Let denote the minimum possible maximum degree of a k‐detour subgraph of . The main result is that for every and On the other hand, for each fixed even and large n, there exists a k‐detour subgraph of with average degree at most . © 2007 Wiley Periodicals, Inc. J Graph Theory 57: 55–64, 2008     

2,6-Diacylnaphthalene-1,8:4,5-bis(dicarboximides): synthesis, reduction potentials, and core extension

2,6-Diacyl derivatives of naphthalene-1,8:4,5-bis(dicarboximide)s have been synthesized via Stille coupling reactions of the corresponding 2,6-distannyl derivative with acyl halides. Reaction of these diketones with hydrazine gave phthalazino[6,7,8,1-lmna]pyridazino[5,4,3-gh][3,8]phenanthroline-5,11(4H,10H)-dione fused-ring derivatives. The products were characterized by UV-vis absorption spectroscopy and electrochemistry, modeled using density functional theory calculations, and, in some cases, studied and compared using single-crystal X-ray diffraction.     

On the approximability of the Simplified Partial Digest Problem

In this paper, we analyse the computational complexity of an optimization version of the Simplified Partial Digest Problem (SPDP), which is a mathematical model for DNA mapping based on the results of a simplified partial digest experiment. We prove that recognizing 46.16% of the elements of the DNA map in the error-free simplified partial digest experiment is NP-hard in the strong sense. This implies that the problem of maximizing the number of correct elements of the DNA map in the error-free simplified partial digest experiment is pseudopolynomially non-approximable with the approximation ratio .     

On topological diversity of rectilinear representations of countably infinite graphs

We prove that, for each simple graph G whose set of vertices is countably infinite, there is a family ${\varvec{\mathcal{R}}(\varvec{G})}$ of the cardinality of the continuum of graphs such that (1) each graph ${\varvec{H} \in \varvec{\mathcal{R}}(\varvec{G})}$ is isomorphic to G, all vertices of H are points of the Euclidean space E ³, all edges of H are straight line segments (the ends of each edge are the vertices joined by it), the intersection of any two edges of H is either their common vertex or empty, and any isolated vertex of H does not belong to any edge of H; (2) all sets ${\varvec{\mathcal{B}}(\varvec{H})}$ ( ${\varvec{H} \in \varvec{\mathcal{R}}(\varvec{G})}$ ), where ${\varvec{\mathcal{B}}(\varvec{H})\subset \mathbf{E}^3}$ is the union of all vertices and all edges of H, are pairwise not homeomorphic; moreover, for any graphs ${\varvec{H}_1 \in \varvec{\mathcal{R}}(\varvec{G})}$ and ${\varvec{H}_2 \in \varvec{\mathcal{R}}(\varvec{G})}$ , ${\varvec{H}_1 \ne \varvec{H}_2}$ , and for any finite subsets ${\varvec{S}_i \subset \varvec{\mathcal{B}}(\varvec{H}_i)}$ (i = 1, 2), the sets ${\varvec{\mathcal{B}}(\varvec{H}_1){\setminus} \varvec{S}_1}$ and ${\varvec{\mathcal{B}}(\varvec{H}_2){\setminus} \varvec{S}_2}$ are not homeomorphic.     

ChemInform Abstract: Single-Crystal and Powder Neutron Diffraction Study of the FexMn1-xS Solid Solutions.

Single crystals of the α-MnS-based Fe_xMn_1-xS (x = 0-0.3) solid solutions are prepared and shown to be new Mott materials with the rock salt structure.     

Phosphorylation of 2‐(3‐methyl‐1,3‐diazabuten‐1‐yl)‐3‐ethoxycarbonylthiophenes with phosphorus(III) halides

2‐(3‐Methyl‐1,3‐diazabuten‐1‐yl)‐3‐ethoxycarbonylthiophenes are phosphorylated with phosphorus(III) halides in basic media at position 5 of the thiophene ring. Up to three heteroaromatic substituents can be introduced one by one at the same phosphorus atom. On this basis, mono‐, bis‐, and trishetaryl substituted P(III) and P(V) derivatives have been obtained. Phosphorylated 2‐(N,N‐dimethylformamidino)‐3‐ethoxycarbonylthiophenes provide a synthetic access to phosphorylated thienopyrimidines. © 2001 John Wiley & Sons, Inc. Heteroatom Chem 12:641–651, 2001