Properties of balanced and perfect matrices

In this paper we define wheel matrices and characterize some properties of matrices that are perfect but not balanced. A consequence of our results is that if a matrixA is perfect then we can construct a polynomial number of submatricesA _I,,A _n ofA such thatA is balanced if and only if all the submatricesA ₁,,A _n ofA are perfect. This implies that if the problem of testing perfection is polynomially solvable, then so is the problem of testing balancedness.Partial support under NSF Grants DMS-8606188, ECS-8800281 and DDM-8800281.     

Ceramic Foams from a Preceramic Polymer and Polyurethanes: Preparation and Morphological Investigations

Open-cell ceramic foams were obtained from a preceramic polymer (silicone resin) and blown polyurethanes. The preceramic polymer, which is crosslinked by condensation of silanol groups, was dissolved in CH2Cl2 and added to a liquid polyol containing the surfactant and the amine catalyst. Isocyanate was then added to the mixture and the foam was obtained through a twofold blowing mechanism (physical and chemical blowing). The morphology of the expanded polyurethane, which can be flexible or semirigid, characterized the final structure of the ceramic foam. The materials obtained were pyrolyzed in a nitrogen flux at temperatures of 1000–1200°C, thus allowing for the polymer-to-ceramic transformation to occur in the preceramic polymer. The ceramic foams produced in this way consisted of an amorphous silicon oxycarbide ceramic (SiOC). They presented a density ranging from 0.1 to 0.3 g/cm3. The average pore diameter ranged from 200 to 400 m and they possessed 80 to 90% open porosity.     

Mononuclear heterocyclic rearrangements. Part 4 Synthesis and characterization of the E-isomer phenylhydrazone of 3-benzoyl-5-phenyl-1,2,4-oxadiazole

3-Benzoyl-5-phenyl-1,2,4-oxadiazole (I) with phenylhydrazine in acetic acid gives the two geometrical isomers, phenylhydrazones II-Z and II-E, which have been characterized by uv-visible, ir, and nmr spectra. The possible II-E ? II-Z isomerization as well as the rearrangement of II-Z and of II-E into 2,5-diphenyl-4-benzoylamino-1,2,3-triazole (III) has been pointed out.     

Non-covalent calixarene-amino acid complexes formed by MALDI-MS

Non-covalent inclusion complexes formed between amino acids and derivatized calix[6]arenes are observed in MALDI mass spectrometry. The methyl, ethyl, and propyl ester derivatives of calix[6]arene yielded amino acid complexes, while the smaller calix[4]arene analogs did not. Similarly the underivatized calix[6]arene and calix[4]arene did not produce complexes. Amino acid complexes were observed for nearly all 20 amino acids in time-of-flight (TOF) analysis. In Fourier transform mass spectrometry (FTMS) analysis, however, only the most basic amino acids arginine, histidine, and lysine formed stable adducts. The complexes were abundant under matrix-assisted laser desorption ionization (MALDI) conditions, which suggested favorable interactions between host and guest.     

4-Aminobicyclo[2.2.2]octanone Derivatives with Antiplasmodial and Antitrypanosomal Activities

4-Aminobicyclo[2.2.2]octanones were converted to their N-oxides and to 4-aminobicyclo[2.2.2]octanes. Furthermore, the 6,7-bis-(4-methoxyphenyl) analogues were synthesized. All products were screened for their activities against Trypanosoma b. rhodesiense and Plasmodium falciparum. The pharmacological results were compared with those of formerly tested bicyclo[2.2.2]octanones and bicyclo[2.2.2]octanols. Structure-activity relationships are discussed.     

Grid-free DFT implementation of local and gradient-corrected XC functionals

Following an approach to density functional theory calculations based on the matrix representation of operators, we implemented a scheme as an alternative to traditional grid-based methods. These techniques allow integrals over exchange-correlation operators to be evaluated through matrix manipulations. Both local and gradient-corrected functionals can be treated in a similar way. After deriving all the required expressions, selected examples with various functionals are given. Received: 7 March 1998 / Accepted: 21 May 1998 / Published on line: 6 August 1998     

Mechanism of Formation of Peroxocarbonates RhOOC(O)O(Cl)(P)(3) and Their Reactivity as Oxygen Transfer Agents Mimicking Monooxygenases. The First Evidence of CO(2) Insertion into the O-O Bond of Rh(eta(2)-O(2)) Complexes

Extended labeling experiments have shown that formation of rhodium peroxocarbonate from CO(2) and [RhCl(eta(2)-O(2))(P)(3)] (P is PEt(2)Ph or PEtPh(2)) proceeds through O-O bond cleavage and CO(2) insertion. O-transfer to ancillary phosphine ligand to give R(3)P=O selectively (>85%) involves the Rh-linked O atom of the peroxo group of RhCl(CO(4))(P)(3).