Phosphine-mediated cascade reaction of azides with MBH-acetates of acetylenic aldehydes to substituted pyrroles: a facile access to N-fused pyrrolo-heterocycles

One-pot synthesis of substituted pyrroles by a cascade reaction of azides with Morita-Baylis-Hillman acetates of acetylenic aldehydes is described and the reaction is efficiently mediated by triphenyl phosphine at room temperature. Sodium azide is successfully used to provide N-unsubstituted pyrroles, while alkyl azides afforded the corresponding N-alkylated pyrroles through a sequence of allylic substitution/azide reduction/cycloisomerization reactions. The obtained products have provided a new entry to indolizino indoles, pyrrolo isoquinolines and 8-oxo-5,6,7,8-tetrahydroindolizine.     

Homological invariants of modules over contracting endomorphisms

It is proved that when R is a local ring of positive characteristic, \({\phi\colon R{\to} R}\) is its Frobenius endomorphism, and some non-zero finite R-module has finite flat dimension or finite injective dimension for the R-module structure induced through \({\phi}\) , then R is regular. This broad generalization of Kunz’s characterization of regularity in positive characteristic is deduced from a theorem concerning a local ring R with residue field of k of arbitrary characteristic: If \({\phi}\) is a contracting endomorphism of R, then the Betti numbers and the Bass numbers over \({\phi}\) of any non-zero finitely generated R-module grow at the same rate, on an exponential scale, as the Betti numbers of k over R.     

Mass Spectral Studies Reveal the Structure of Aβ1-16-Cu(2+) Complex Resembling ATCUN Motif

In Alzheimer's disease, copper binds to amyloid beta (Aβ) peptide and generates oxidative stress. The coordination of histidine (His) residues to Cu(2+) is still uncertain. We studied Cu(2+) binding to Aβ1-16 peptide using the diethyl pyrocarbonate (DEPC) assay and mass spectrometry. Our results show that only one His is involved in Cu(2+) coordination, which is identified as His6 using mass spectral studies. Novel nickel displacement studies have further supported the proposal that the Cu(2+) binding site of Aβ1-16 peptide resembles the ATCUN motif of human serum albumin.     

Methanol diffusion rates through the anode diffusion layer in direct methanol fuel cells from limiting current measurements

Metal foams may be used in direct methanol fuel cells to feed reactants to the catalyst layer and to collect current from the resulting electrochemical reaction. Although the mass transfer from the metal foam to the underlying gas diffusion layer (GDL) is diffusion-dominated, it is found that at a fixed methanol concentration, the limiting current density increases with increasing methanol flow rates. This unexpected result is attributed to the more efficient removal of product CO₂ from the GDL. A methodology is developed to estimate the effective diffusion coefficient of methanol in the anode diffusion layer from limiting current density measurements, and to extract the fraction of GDL volume occupied by CO₂.     

Integrating Interval Estimates of Global Optima and Local Search Methods for Combinatorial Optimization Problems

The problem of estimating the global optimal values of intractable combinatorial optimization problems is of interest to researchers developing and evaluating heuristics for these problems. In this paper we present a method for combining statistical optimum prediction techniques with local search methods such as simulated annealing and tabu search and illustrate the approach on a single machine scheduling problem. Computational experiments show that the approach yields useful estimates of optimal values with very reasonable computational effort.     

Synthesis and characterization of interpenetrating polymer networks with nonlinear optical properties

We report the synthesis and characterization of interpenetrating polymer networks (IPNs) exhibiting nonlinear optical (NLO) properties. The network consists of aliphatic polycarbonate urethane (PCU) and poly(methyl methacrylate-co-N,N-disubstituted urea), with a nonlinear optical (NLO) chromophore incorporated into N,N-disubstituted urea. The full IPNs have only one T_g, as determined by differential scanning calorimetry (DSC), together with scanning electron microscopy (SEM) observations, suggest a single phase morphology. The thin films of IPNs are transparent and the unpoled samples produced second harmonic generation (SHG) signals at room temperature. This result indicates that the NLO chromophore is oriented noncentrosymmetrically during the IPN formation process and is tightly held between the permanent entanglements of the two component networks of the IPN. © 1996 John Wiley & Sons, Inc.     

Inhibition of LPS-induced no production in RAW264.7 cell lines: synthesis and molecular modeling of α-ketophosphonates of febuxostat

In an effort to develop novel anti-inflammatory agents, we synthesized phosphorylated derivatives of febuxostat using various phosphates/phosphonites by Michaelis-Arbuzov reaction. Their inhibitory activity on nitric oxide (NO) production, reactive oxygen species (ROS) production and cytotoxicity were evaluated using lipopolysaccharide (LPS) activated macrophages RAW264.7 assay, flow-cytometry analysis and MTT method respectively. Some of these compounds showed potent inhibition of NO and ROS production without obvious cytotoxicity. Furthermore, docking simulations were performed to positional compounds 3g, 3h, 3i and 3j into the COX-2 active site to determine the probable binding model. Physicochemical parameters revealed that most of the compounds possessed drug-like properties.     

PIXE analysis of blood serum of breast cancer patients undergoing successive chemotherapy

Journal of Radioanalytical and Nuclear Chemistry - Particle induced X-ray emission technique was used to obtain the serum elemental profile of healthy subjects and breast cancer patients (BCPs)...     

Structure-based virtual screening to identify inhibitors against Staphylococcus aureus MurD enzyme

Structural Chemistry - The MurD enzyme of Staphylococcus aureus is an attractive drug target as it is essential and ubiquitous in bacteria but absent in mammalian cells. In the present study, we...