Vilsmeier Reagent: An Efficient Reagent for the Transformation of 2-Aminobenzamides into Quinazolin-4(3H)-one Derivatives

Clean and easy preparation of quinazolin-4(3H)-one derivatives using 2-aminobenzamides and Vilsmeier reagent is described. 2-Aminobenzamides were converted into the corresponding quinazolinones under mild and efficient conditions, in good yields without undesirable by-products.

[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications® for the following free supplemental resource(s): Full experimental and spectral details.]     

Theoretical study of valance photoelectron spectra of hypoxanthine, xanthine, and caffeine using direct symmetry-adapted cluster/configuration interaction methodology

UV photoelectron spectra of hypoxanthine, xanthine, and caffeine, up to 20 eV, were calculated and compared with the experimental spectra reported in literature. The calculations were performed using a novel version of the quantum mechanical symmetry-adapted cluster/configuration interaction (SAC-CI) method termed, direct SAC-CI. The Duning/Huzinaga valance double-zeta D95+(d,p) Gaussian basis set was also employed with this method. The ionization energies and intensities were calculated, and the corresponding spectral bands were assigned. Natural bonding orbital (NBO) calculations were employed for better spectral band assignment. The calculated ionization energies and intensities reasonably produced the experimental photoelectron spectra.     

Synthesis and applications of cross-linked poly(diallyldimethyl ammonium chloride) and its derivative copolymers as efficient phase transfer catalyst for nucleophilic substitution reactions

Cross-linked poly(diallyldimethylammonium chloride) and its derivative copolymers were synthesized and used as phase transfer catalyst in the nucleophilic substitution reaction especially halogen exchange reactions. In addition, the effect of hydrophilic-hydrophobic character of the polymers in the nucleophilic reactions was investigated.     

Ferric hydrogensulphate as a recyclable catalyst for the synthesis of fluorescein derivatives

Polycondensation reactions of phenols with phthalic anhydride were carried out in the presence of ferric hydrogensulphate under melt conditions. The reactions proceeded in short reaction times by using a catalytic amount of Fe(HSO₄)₃ and the corresponding fluorescein derivatives were obtained in high yields. The simplicity, scale-up, along with the use of an inexpensive, non-toxic, recyclable catalyst of an environmentally benign nature, are other remarkable features of the procedure. The absorption and emission properties of these fluorescein derivatives were studied.     

Self-assembly of tissue transglutaminase into amyloid-like fibrils using physiological concentration of Ca2+

Tissue transglutaminase (tTG or TG2) is a member of the transglutaminase family that catalyzes calcium dependent formation of isopeptide bonds. It has been shown that the expression of TG2 is elevated in neurodegenerative diseases such as Parkinson's, Huntington's, and Alzheimer's. We have investigated the self-assembly of TG2 in vitro. First, using software, hot spots, which are prone for aggregation, were identified in domain 2 of the enzyme. Next we expressed and purified recombinant TG2 and its truncated version that contains only the catalytic domain, and examined their amyloidogenic behavior in various conditions including different temperatures and pHs, in the presence of metal ions and Guanosine triphosphate (GTP). To analyze various stages leading to TG2 fibrillation, we employed various techniques including Thioflavin T (ThT) binding assay, Congo-Red, birefringence, Circular Dichroism (CD), 8-anilino-1-naphthalene sulfonic acid (ANS) binding, Transmission Electron Microscopy (TEM) and Atomic Force Microscopy (AFM). Our results indicated that using low concentrations of Ca(2+), TG2 self-assembled into amyloid-like fibrils; this self-assembly occurred at the physiological temperature (37 °C) and at a higher temperature (57 °C). The truncated version of TG2 (domain 2) also forms amyloid-like fibrils only in the presence of Ca(2+). Because amyloid formation has occurred with domain 2 alone where no enzymatic activity was shown, self-cross-linking by the enzyme was ruled out as a mechanism of amyloid induction. The self-assembly of TG2 was not significant with magnesium and zinc ions, indicating specificity of the self-assembly for calcium ions. The calcium role in self-assembly of TG2 into amyloid may be extended to other proteins with similar biophysical properties to produce novel biomaterials.     

Study of cure kinetics of epoxy/DDS/nanosized (SiO2/TiO2) system by dynamic differential scanning calorimetry

In this study the curing kinetics of epoxy based on the diglycidyl ether of bisphenol A (DGEBA), 4,4′‐diaminodiphenyl sulfone (DDS) as a hardener, and SiO₂/TiO₂ (70:30) as a nanofiller was investigated by nonisothermal differential scanning calorimetry (DSC). The effects of different weight contents of SiO₂/TiO₂ nanoparticles were studied using DSC in Dynamic Mode and the best value of the nanofiller was found to be 5 phr (parts per hundred). Dynamic measurements were used to obtain the total heat of reaction of the epoxy system as well as its activation energy (E_a) based on the isoconversional methods of Kissinger and Ozawa. The process revealed a dependence of the activation energy on conversion (α). The morphology of the cured system was investigated by scanning electron microscopy (SEM). It showed a strong cross‐linking between the resin and hardner and a relatively better dispersion of surface modified filler nanoparticles. Copyright © 2009 John Wiley & Sons, Ltd.     

Development of a Novel Electrochemical Biosensor for Detection and Discrimination of DNA Sequence and Single Base Mutation in dsDNA Samples Based on PNA‐dsDNA Hybridization – a new Platform Technology

In spite of the extensive attention paid on the development of various DNA detection strategies, very few studies have been reported regarding direct detection of DNA sequence and mutation in dsDNA. Here, we describe the feasibility of detection and discrimination of target DNA sequences and single base mutations (SBM) directly in double‐stranded oligonucleotides and PCR products without the need for denaturation of the target dsDNA samples. This goal was achieved by employing a peptide nucleic acid (PNA) chain, self‐assembled on the gold electrode as a probe, which binds to dsDNA and forms PNA‐dsDNA hybrid.     

Microfluidic waves

The propagation of pressure waves in fluidic channels with elastic covers is discussed in view of applications to flow control in microfluidic devices. A theory is presented which describes pressure waves in the fluid that are coupled to bending waves in the elastic cover. At low frequencies, the lateral bending of the cover dominates over longitudinal bending, leading to propagating, non-dispersive longitudinal pressure waves in the channel. The theory addresses effects due to both the finite viscosity and compressibility of the fluid. The coupled waves propagate without dispersion, as long as the wave length is larger than the channel width. It is shown that in channels of typical microfluidic dimensions, wave velocities in the range of a few 10 m s(-1) result if the channels are covered by films of a compliant material such as PDMS. The application of this principle to design microfluidic band pass filters based on standing waves is discussed. Characteristic frequencies in the range of a few kHz are readily achieved with quality factors above 30.     

Quasirecognition by prime graph of finite simple groups L n (2) and U n (2)

Let G be a finite group. The prime graph ??(G) of G is defined as follows. The vertices of ??(G) are the primes dividing the order of G and two distinct vertices p, p?? are joined by an edge if G has an element of order pp??. Let L=L _n (2) or U _n (2), where n?R17. We prove that L is quasirecognizable by prime graph, i.e. if G is a finite group such that ??(G)=??(L), then G has a unique nonabelian composition factor isomorphic to L. As a consequence of our result we give a new proof for the recognition by element orders of L _n (2). Also we conclude that the simple group U _n (2) is quasirecognizable by element orders.     

Exact solutions for free flexural vibration of Lévy-type rectangular thick plates via third-order shear deformation plate theory

In this paper, exact closed-form solutions in explicit forms are presented for transverse vibration analysis of rectangular thick plates having two opposite edges hard simply supported (i.e., Lévy-type rectangular plates) based on the Reddy’s third-order shear deformation plate theory. Two other edges may be restrained by different combinations of free, soft simply supported, hard simply supported or clamped boundary conditions. Hamilton’s principle is used to derive the equations of motion and natural boundary conditions of the plate. Several comparison studies with analytical and numerical techniques reported in literature are carried out to demonstrate accuracy of the present new formulation. Comprehensive benchmark results for natural frequencies of rectangular plates with different combinations of boundary conditions are tabulated in dimensionless form for various values of aspect ratios and thickness to length ratios. A set of three-dimensional (3-D) vibration mode shapes along with their corresponding contour plots are plotted by using exact transverse displacements of Lévy-type rectangular Reddy plates. Due to the inherent features of the present exact closed-form solution, the present findings will be a useful benchmark for evaluating the accuracy of other analytical and numerical methods, which will be developed by researchers in the future.