Theoretical study of 3d‐metal mononitrides using DFT method

3d‐Metal mononitrides are studied using the density functional theory method. The lowest spin state for these dimers is obtained using the B3LYP hybrid functional with the 6‐311+G* basis set. The equilibrium geometries, vibrational frequencies, binding energies, Mulliken, and natural orbital population analysis charges, natural orbital electronic configuration, electron affinity, and ionization potential are obtained. Mulliken as well as natural orbital population analysis charges indicate that for all dimers, in cations most of the positive charge localized on the transition metal atom where in anions most of the negative charge localized on nitrogen atom. The binding energies for 3d‐metal mononitrides are higher than those for monocarbides and monoxides. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Phase structures of a hydrated anionic phospholipid composition containing cationic dendrimers and pegylated lipids

The effect of 4th generation poly(amidoamine) dendrimer (4G PAMAM) present in an anionic phospholipid composition, consisting of hydrogenated soyphosphatidylcholine (HSPC), cholesterol (CH), dicetyl phosphate (DCP), and poly(ethylene glycol) (Mw approximately 2000) derivatized phosphatidylethanolamine (PEG2000-PE), on the hydration and liquid crystalline structure formation was investigated. The optical and polarized light microscopies of the liposomal dispersion obtained from the hydrated lipid composition show two types of birefringent structures (mesophases): plastic, wormlike microstructures and conventional, over-elongated lamellae. Differential scanning calorimetry (DSC) shows an increase in the liquid crystalline phase transition (Tg) of the lipid composition from 60 to 94 degrees C with increasing 4G PAMAM concentrations from 0 to 0.011 mM, respectively. The Tg values of the two microstructures were 68 and 84 degrees C, respectively, indicating that the plastic microstructures were 4G PAMAM/DCP-complexes-rich (alpha mesophases) and the conventional and elongated lamellae were dendrimer-doped HSPC/CH-rich microstructures (beta mesophases). Optical microscopy shows that the alpha mesophases convert into various other types of vesicular structures such as giant unilamellar vesicles and biliquid foams, upon heating above the phase transition temperature of the lipid composition (approximately 60-65 degrees C). The microstructure transformation is a result of an osmotic influx of water and the detergent action of PEG2000-PE present in the lipid composition. The transmission electron microscopy (TEM) images of the liposomal dispersion show particles embedding circular transparent domains that exactly correlate to the theoretical 4G PAMAM/DCP complex sizes, thus, providing evidence of 4G PAMAM interspersed within the two mesophases. Small-angle X-ray scattering (SAXS) measurements indicate that the alpha mesophases are a dendrimer-interlinked, symmetrically undulated lamellar phase and the beta mesophases are dendrimer-doped, occasionally kinked lamellae. An increase in dendrimer concentration in the lipid composition was found to decrease interlamellar spacing. On the basis of optical microscopy, DSC, TEM, and SAXS data, a model of dendrimer-doped mesophase structure and lamellae fusion is proposed. This investigation provides new self-assembled materials for drug/gene delivery and supplements the understanding of mechanisms involved in various biological processes such as membrane fusion, transmembrane permeation, and endocytosis.     

Determination of chlorpyrifos 20% EC (Dursban 20 EC) in scented rose and its products

The method for determination of chlorpyrifos is validated and dissipation behaviour of residue in scented rose and percent transfer in different products is described. GC-electron-capture detection with a HP-1, 30 m x 0.53 mm, 3.0 microm capillary column and nitrogen at 1 ml/min was used in the study. Plant matrices studied were: leaves, flowers, soil, rose water, absolute and concrete. Detector response linearity and sensitivity, limit of detection and determination, percent recovery were determined based on area response (mm2) of the standard. Analytical field and laboratory samples (rose water by hydro-distillation of the flowers, concrete and absolute by hexane extraction and condensation) were analysed for evaluation of the method. Samples were extracted with acetone, partitioned with water, saturated sodium chloride solution and dichloromethane. The organic layer was rotary-evaporated to 2 ml for cleanup with silica-carbon column. The column was eluted with dichloromethane-toluene-acetone (10:2:2, v/v/v) and the derived solution was rotary-evaporated to 5 ml for end analysis. Matrix enhancement effect was observed for leaf and soil samples for which corrective approach was followed to compensate for overestimation of the residue. Limit of detection for chlorpyrifos standard was 0.05 mg/l with good linearity of detector response (R2 = 0.99). Percent recovery ranged from 78 to 117% in different plant matrices (fortification level 1, 4 and 8 mg/l). Dissipation behaviour showed that chlorpyrifos was below detection limit by the 12th day of application on the scented rose with half life of 3.40 days on leaves and 3.10 days on flowers at 0.1% dosage. Percent transfer studies showed that 5.71, 46.91 and 38.80% of the residue from flowers was transferred to rose water, concrete and absolute, respectively.     

Temperature Dependent Dielectric Relaxation in Solvent Mixtures at Microwave Frequencies

By the use of time domain reflectometry method, dielectric measurements were carried out on dimethylformamide‐2‐nitrotoluene solvent mixtures in the frequency range 10 MHz‐20 GHz, at various temperatures from 15 °C to 45 °C. These solvent mixtures as well as pure solvents display a Debye type dispersion. Their frequency dependent dielectric properties can be summarized by the three parameters in the Debye equation: a static permittivity, permittivity at high frequency and a dielectric relaxation time constant. The free energy of activation for dipolar relaxation process and the Kirkwood correlation factor were determined using these fitting parameters for these solvent mixtures at various concentrations and temperatures. By using these dielectric parameters, the excess permittivity and excess inverse relaxation time is obtained. The excess permittivity is found to be positive for all concentrations and temperatures whereas the excess inverse relaxation time is negative.     

A Sensitive HPTLC Method for Estimation of Amentoflavone,a Bioactive Principle from Biophytum sensitivum (Linn.) DC. and Putranjiva roxburghii Wall.

JPC – Journal of Planar Chromatography – Modern TLC - A sensitive high-performance thin-layer chromatographic (HPTLC) method has been developed for estimation of amentoflavone, an...     

A proposal for experimental detection of amplitude nth-power squeezing

Recently, in several theoretical investigations, amplitude nth-power squeezing has been studied with n = 2, 3, 4, 5. In the present paper, we give a proposal for experimental detection of amplitude nth-power squeezing using ordinary homodyning with coherent light for arbitrary power n and discuss in detail its theory. The proposed scheme requires only repeated measurements of the factorial moments of number of photons in the light obtained after homodyning, with various shifts of phase of coherent light, and involves no approximations, whatsoever. This has advantage over the method proposed by Shchukin and Vogel [Phys. Rev. A 72 (2005) 043808] in that our method requires only one beam splitter and only one photodetector, and also lesser number of repetitions of experiment with phase-shifted coherent light.     

Novel Iodine Reagent System for Regioselective Cleavage of Epoxides to Alcohols

Epoxides are converted regioselectively to corresponding higher substituted alcohols with greater yields using diphosphorus tetraiodide (P₂I₄) as a reducing agent and a catalytic amount of tetraethylammonium bromide at room temperature.     

Selective Bromination of Dehydroacetic Acid with N-Bromosuccinimide

Bromination of dehydroacetic acid has been carried out with N-bromosuccinimide under various conditions. The reactions led to selective bromination, thereby offering efficient synthesis of 3β-bromodehydroacetic acid (3), 3β,5-dibromodehydroacetic acid (4), 3β,3β-dibromodehydroacetic acid (5), and 3β,3β,5-tribromodehydroacetic acid (6).