Allylation of 1-phenyl-1-propyne with N- and O-pronucleophiles using polymer supported triphenylphosphine palladium complex as a heterogeneous and recyclable catalyst

Simple methodology for the allylation of various N- and O-pronucleophiles with 1-phenyl-1-propyne as an allylating agent, using PS-TPP-Pd (polymer supported triphenylphosphine palladium) as a highly active heterogeneous recyclable catalyst has been developed. The protocol is applicable for a wide variety of hindered and functionalized aromatic amines, alcohols, and carboxylic acids. The catalyst exhibited remarkable catalytic activity for five consecutive recycles.     

Multivariant finite elements for three-dimensional simulation of viscous incompressible flows

Within multivariant elements, which have restricted degrees of freedom at some nodes, different velocity components have different variations. Shape functions for the multivariant elements Q P_o and R P_o are developed. With such shape functions the value of a velocity component within a multivariant element is shown to depend upon all the independent components of velocity at the nodes of the element. The use of the Q₁ P₀ element to simulate flows with discontinuous boundary conditions generated disturbance throughout the flow domain, giving erroneous pressure and velocity distributions. The Q P_o element restricted the disturbance due to such discontinuities to a small region near the singular points, whereas the P P_o element completely eliminated the fluctuations. Flows with discontinuous boundary conditions were simulated with reasonable accuracy by partially relaxing the no-slip condition on the Q₁ P_o elements near the singular points.     

Fluorescent Styryl Dyes Based on Novel 4-Methoxy-9-Methyi-9H-Carbazole-3-Carbaldehyde—Synthesis,Photophysical Properties and DFT Computations

Novel carbazole based styryl derivatives (6a–6c) having styryl group at third position and a methoxy substitution were synthesized by condensing 4-methoxy-9-methyl-9H-carbazole-3-carbaldehyde 3 and different active methylene derivatives (5a–5c). Evaluated photophysical properties of these synthesized novel chromophores, studied the effect of solvent polarity on absorption, emission and quantum yield of these styryl derivatives. DFT and TD-DFT computations are carried out to study structural, molecular, electronic and photophysical parameters of dyes. The ratio of ground state to excited state dipole moment was calculated using Bakhshiev and Kawski-Chamma-Viallet correlations.     

Optimal relay node placement in delay constrained wireless sensor network design

The Delay Constrained Relay Node Placement Problem (DCRNPP) frequently arises in the Wireless Sensor Network (WSN) design. In WSN, Sensor Nodes are placed across a target geographical region to detect relevant signals. These signals are communicated to a central location, known as the Base Station, for further processing. The DCRNPP aims to place the minimum number of additional Relay Nodes at a subset of Candidate Relay Node locations in such a manner that signals from various Sensor Nodes can be communicated to the Base Station within a pre-specified delay bound. In this paper, we study the structure of the projection polyhedron of the problem and develop valid inequalities in form of the node-cut inequalities. We also derive conditions under which these inequalities are facet defining for the projection polyhedron. We formulate a branch-and-cut algorithm, based upon the projection formulation, to solve DCRNPP optimally. A Lagrangian relaxation based heuristic is used to generate a good initial solution for the problem that is used as an initial incumbent solution in the branch-and-cut approach. Computational results are reported on several randomly generated instances to demonstrate the efficacy of the proposed algorithm.     

Gold nanoparticles catalyzed chemiluminescence immunoassay for detection of herbicide 2,4-dichlorophenoxyacetic acid

We present a novel immunoassay format utilizing the catalytic properties of gold nanoparticles in the luminol-silver nitrate-gold nanoparticle based chemiluminescence (CL) system for the detection of widely used herbicide 2,4-dichlorophenoxyacetic acid (2,4-D). Highly sensitive anti-2,4-D antibody was produced and conjugated with gold nanoparticles of various sizes. In the present assay format, employing a competitive inhibition approach, a well-characterized hapten-protein conjugate (2,4-D-BSA) was used to coat the microtiter plates. The analyte (2,4-D) was pre-incubated with anti-2,4-D antibody labeled with gold nanoparticles and added to each well of the microtiter plate. The gold label triggered the reaction between luminol and silver nitrate generating a luminescence signal at 425 nm. Under the optimized conditions, the CL based immunoassay showed the detection limit of 2,4-D in standard water samples around 3 ng mL(-1). The CL based immunoassay format, based on gold nanoparticles as a catalyst, could be used as a fast screening methodology (<30 min) for pesticide detection.     

Convenient Preparation of Benzylseleno‐ and Phenylselenoalkanoic Acids: Reagents for Synthesis of Organoselenium Compounds

An efficient and operationally simple route to benzylseleno‐ and phenylselenoalkanoic acids from ethyl benzyl/phenylselenoalkanoates is described. This involves preparation of ethyl benzyl/phenylselenoalkanoates as substrates by reaction of dibenzyl/diphenyl diselenide and sodium borohydride with ethyl chloroalkanoates in ethanol followed by basic hydrolysis and subsequent acidification.     

Studies on Permeation of Bovine Serum Albumin (BSA) Through Photo-Modified Functionalized Asymmetric Membrane

UV-initiated photo-modification by hydrophilic functional moieties (viz. acrylic acid, acrylamide) is performed on the photo-responsive Polyether sulfone (PES) membrane. Characterization of the modified membranes has been done by porometry, Fourier Transform-IR (FTIR), contact angle, thermogravimetry, X-ray diffraction and gel permeation chromatography. The grafting of acrylamide is higher compared to acrylic acid, as is evidenced from weight increase, as well as porometry studies. The separation abilities of Bovine Serum Albumin (BSA) have been experimented through all the membranes and results show that modified membranes possess a better separation ability compared to virgin polyether sulfone. The separation order follows the trend: PES-g-(AM) > PES-g-(AA) > PES. pH dependence conformational changes of BSA macromolecule influence the separation. The increase in pH results in the decreasing trend in separation. The water flux recovery ratio (FRR) for the virgin PES membrane is minimum compared to other two grafted membranes.     

Diversity-oriented, one-pot, multi-component synthesis of substituted uracil derivatives

Abstract  

With the emergence of high throughput screening of bioactive molecules, there is constant need for the development of new strategies for diversity-oriented synthesis. We describe here a novel one-pot multicomponent reaction for the synthesis of uracil derivatives using easily available starting materials. This new synthetic strategy provides easy access to diverse uracil derivatives in moderate to good yields.     

Palladium bis(2,2,6,6‐tetramethyl‐3,5‐heptanedionate) catalyzed alkoxycarbonylation and aminocarbonylation reactions

Palladium bis(2,2,6,6‐tetramethyl‐3,5‐heptanedionate), a structurally well defined O‐containing transition metal complex, is reported to be an efficient catalyst for alkoxycarbonylation and aminocarbonylation reactions under milder operating conditions. The system tolerated the carbonylative coupling of various aryl halides with phenol/alcohol and amines, providing good to excellent yields of desired products under optimized reaction conditions. Copyright © 2009 John Wiley & Sons, Ltd.     

Distribution Metrics and Image Segmentation

The purpose of this paper is to describe certain alternative metrics for quantifying distances between distributions, and to explain their use and relevance in visual tracking. Besides the theoretical interest, such metrics may be used to design filters for image segmentation, that is for solving the key visual task of separating an object from the background in an image. The segmenting curve is represented as the zero level set of a signed distance function. Most existing methods in the geometric active contour framework perform segmentation by maximizing the separation of intensity moments between the interior and the exterior of an evolving contour. Here one can use the given distributional metric to determine a flow which minimizes changes in the distribution inside and outside the curve.