Density functional investigation of the interaction of acetone with small gold clusters

The structural evolution of Au(n) (n=2, 3, 5, 7, 9, and 13) clusters and the adsorption of organic molecules such as acetone, acetaldehyde, and diethyl ketone on these clusters are studied using a density functional method. The detailed study of the adsorption of acetone on the Au(n) clusters reveals two main points. (1) The acetone molecule interacts with one gold atom of the gold clusters via the carbonyl oxygen. (2) This interaction is mediated through back donation mainly from the spd-hybridized orbitals of the interacting gold atom to the oxygen atom of the acetone molecule. In addition, a hydrogen bond is observed between a hydrogen atom of the methyl group and another gold atom (not involved in the bonding with carbonyl oxygen). Interestingly, the authors notice that the geometries of Au(9) and Au(13) undergo a significant flattening due to the adsorption of an acetone molecule. They have also investigated the role of the alkyl chain attached to the carbonyl group in the adsorption process by analyzing the interaction of Au(13) with acetaldehyde and diethyl ketone.     

Longitudinal and Bending Stresses in a Beam with Saw Cut Edge Cracks∗

Abstract

The Griffith-Irwin theory of brittle fracture of elastic solids predicts the propagation of cracks on the basis of the energy release rate. This depends upon the stress intensity factors for a given crack configuration. The present paper provides these informations for the problem of an infinite number of periodic, non-coplanar, parallel edge cracks in a strip. Two types of crack configurations, namely, periodic cracks of equal length starting from one edge and a set of two coplanar symmetrical edge cracks of equal length are solved for constant and linearly varying pressure distributions. These problems arise naturally in structural mechanics while investigating stresses in extension and bending of cracked strips. Final results are obtained from the numerical solution of certain Fredholm integral equations of the second kind derived from a dual series of Papkovich-Fadle eigenfunctions     

Polycationic chitosan-conjugated photosensitizer for antibacterial photodynamic therapy

The complex nature of bacterial cell membrane and structure of biofilm has challenged the efficacy of antimicrobial photodynamic therapy. This study was aimed to synthesize a polycationic chitosan-conjugated rose bengal (CSRB) photosensitizer and test its antibiofilm efficacy on Enterococcus faecalis (gram positive) and Pseudomonas aeruginosa (gram negative) using photodynamic therapy. During experiments, CSRB was tested along with an anionic photosensitizer rose bengal (RB) and a cationic photosensitizer methylene blue (MB) for uptake and killing efficacy on 7-day-old E. faecalis and P. aeruginosa biofilms. Microbiological culture based analysis was used to analyze the cell viability, while laser scanning confocal microscopy (LSCM) was used to examine the structure of biofilm. The synthesized CSRB showed absorbance spectrum similar to the RB. The concentration of CSRB uptaken by both the bacterial biofilms was significantly higher than that of RB and MB (P < 0.05). Photoactivation resulted in significantly higher elimination of both bacterial biofilms sensitized with CSRB than RB and MB. The structure of biofilm under LSCM was found to be disrupted following CSRB treatment. The present study highlighted the importance of inherent cell membrane permeabilizing effect of chitosan and increased cell/biofilm uptake of conjugated photosensitizer to produce significant antibiofilm efficacy during photodynamic therapy.     

New indoles from the roots of Brassica rapa ssp. campestris

Two new indoles, 2-C-β-D-glucopyranosyl-1-methoxyindole-3-acetonitrile (1) and 6-hydroxy-1-methylindole3-acetonitrile (2), along with two known indoles [caulilexin C (3) and arvelexin (4)], were isolated from turnip roots (Brassica rapa ssp. campestris L.). The structures of the compounds were established on the basis of NMR, FAB-MS, and IR spectroscopic data.     

Electrical conduction mechanism in a polycrystalline Sb35Se65 sample

Localized state conduction through a variable-range hopping mechanism in the low-temperature region (～180–270 K) and thermally activated phonon-assisted tunneling in the higher-temperature region (～270–320 K) has been observed in a polycrystalline Sb₃₅Se₆₅ sample.     

Electrical transport in bulk amorphous selenium

D.C. conductivity measurements have been made as a function of temperature and external electric field on bulk amorphous selenium. A decrease in the activation energy with increase of electric field has been observed. This has been interpreted in terms of a mixed, thermally activated and trap limited conduction process.     

High-performance thin-layer chromatography (HPTLC) method development and validation for the estimation of curcumin and cineole

JPC – Journal of Planar Chromatography – Modern TLC - Curcumin and cineole are phytochemicals which have shown synergistic effects in allergic rhinitis (AR). The aim of the current work...