Photo-Detachment of a Noncollinear Triatomic Anion

Photo-detachment of a noncollinear triatomic anion is investigated by considering each atom of the molecular anion as a coherent source of detached-electron waves, originating in all possible directions. The waves traveling along three different trajectories result in a quantum interference that displays on a screen placed at a very large distance from the system. To explain this quantum interference, an analytical formula of detached-electron flux is derived using a collinear three-center model recently published. The detached-electron flux versus laser photon energy expression displays molecular geometry-dependent oscillatory structures on an observation plane. This oscillatory behavior in the result can be explained using the semiclassical closed-orbit theory. The outgoing electron waves produced from one coherent center are propagated in the vicinity of the sources at other two coherent centers which cause these oscillations. It is also observed that in a particular case, the noncollinear triatomic system reduces to the collinear three-center system.     

Novel bulk synthesis of magnesium oxide nanobelts networks by microwave hydrothermal route

Novel magnesium oxide (MgO) nanobelt structures were successfully synthesized on a large scale, low cost and catalyst free by a microwave hydrothermal route using the magnesium metal and potassium hydroxide precursors at 200 °C for 10 min. The synthesized MgO nanobelts were systemically characterized by power X-ray diffraction (XRD), scanning electron microscopy, energy dispersion spectroscopy and transmission-high resolution electron microscopy. The XRD results indicate that the MgO nanobelts have the well-crystalline cubic phase. The detailed morphological studies revealed that the synthesized products were nanobelts and were grown in large quantity. The optical energy gap of MgO nanobelts was found to be 3.1 eV. The photoluminescence spectra of the MgO nanobelts show a strong and broad green emission band, a weak ultraviolet emission band, and a weak red emission band. This novel method will open new dimensions for synthesized 1-D metal oxide and can be easily extended to the synthesis and assembly of other inorganic nanocrystals.     

Evaluation of the toxicity of ZnO nanoparticles to Chlorella vulgaris by use of the chiral perturbation approach

The toxicity of ZnO nanoparticles (NPs) has been widely investigated because of their extensive use in consumer products. The mechanism of the toxicity of ZnO NPs to algae is unclear, however, and it is difficult to differentiate between particle-induced toxicity and the effect of dissolved Zn²⁺. In the work discussed in this paper we investigated particle-induced toxicity and the effects of dissolved Zn²⁺ by using the chiral perturbation approach with dichlorprop (DCPP) as chiral perturbation factor. The results indicated that intracellular zinc is important in the toxicity of ZnO NPs, and that ZnO NPs cause oxidative damage. According to dose–response curves for DCPP and the combination of ZnO NPs with (R)-DCPP or (S)-DCPP, the toxicity of DCPP was too low to perturb the toxicity of ZnO NPs, so DCPP was suitable for use as chiral perturbation factor. The different glutathione (GSH) content of algal cells exposed to (R)-DCPP or (S)-DCPP correlated well with different production of reactive oxygen species (ROS) after exposure to the two enantiomers. Treatment of algae with ZnO NPs and (R)-DCPP resulted in reduced levels of GSH and the glutathione/oxidized glutathione (GSH/GSSG) ratio in the cells compared with the control. Treatment of algae with ZnO NPs and (S)-DCPP, however, resulted in no significant changes in GSH and GSH/GSSG. Moreover, trends of variation of GSH and GSH/GSSG were different when algae were treated with ZnSO₄·7H₂O and the two enantiomers. Overall, the chiral perturbation approach revealed that NPs aggravated generation of ROS and that released Zn²⁺ and NPs both contribute to the toxicity of ZnO NPs.

Micelle directed synthesis of (C19H42N)4H3(PW11O39) nanoparticles and their catalytic efficiency for oxidative degradation of azo dye

The nanoparticles of monovacant lacunary keggin-type polyoxometalate (C₁₉H₄₂N)₄H₃(PW₁₁O₃₉) has been successfully synthesized by Micelle Directed Method using hexadecyltrimthyl ammonium bromide (CTAB) as a template. Non-ionic copolymer Pluronic F127 was used as a capping agent that helps in formation of nanoparticles by preventing the aggregation during the coating of H₃(PW₁₁O₃₉)^4- onto the counter ion (C₁₉H₄₂N)⁺. The synthesized material was characterized by Scanning electron microscope (SEM), TGA, DSC and FT-IR techniques. SEM images indicated that (C₁₉H₄₂N)₄H₃(PW₁₁O₃₉) nanoparticles possess spherical structure. FTIR results revealed that the structural integrity of monovacant lacunary keggin-type polyoxometalates (POM) was not affected when reducing the size. TGA–DSC results showed that the material was thermally stable (with 37 % weight loss) and POM encapsulates CTAB. The efficiency of synthesized material was checked by applying it as a catalyst for the oxidation of toxic mordant yellow dye i.e., potentially hazardous and non-biodegradable azo dye. The (C₁₉H₄₂N)₄H₃(PW₁₁O₃₉) nanoparticles gave 96 % dye degradation in 60 min at 60 °C temperature. Moreover, on recycling POM nanoparticles demonstrate 92 % oxidative degradation of mordant yellow dye.     

Variation in antioxidant attributes at three ripening stages of guava (Psidium guajava L.) fruit from different geographical regions of Pakistan

The present investigation was carried out to appraise the levels of total phenols and vitamin C as well as antioxidant potential at three different ripening stages (un-ripe, semi-ripe and fully-ripe) of guava (Psidium guajava L.) fruit collected from three different geographical regions of Pakistan (Islamabad, Faisalabad and Bhakkar). The antioxidant potential of guava fruit extracts was assessed by means of different in-vitro antioxidant assays, namely inhibition of peroxidation in linoleic acid system, reducing power and radical scavenging capability. Overall, fruit at the un-ripe stage (G1) exhibited the highest levels of TPC, TFC, reducing power and DPPH radical scavenging activity, followed by the semi-ripe (G2) and fully-ripe (G3) stages. On the other hand, vitamin C content increased as the fruit maturity progressed, with highest value seen at the fully-ripe stage (G3) followed by the semi-ripe (G2) and un-ripe stage (G1). The concentration of vitamin C in fruits varied as: Faisalabad (136.4-247.9 mg 100 g?1), Islamabad (89.7-149.7 mg 100 g?1) and Bhakkar (73.1-129.5 mg 100 g?1). The results showed that different stages of maturation and geographical locations had profound effects on the antioxidant activity and vitamin C contents of guava fruit.     

Synthesis,Spectroscopic Studies and X-ray Analysis of (<Emphasis Type="Italic">E</Emphasis>)-2-(2-Fluorophenyl)-3-(6-Nitrobenzo[d][1,3]dioxol-5-yl) Acrylic Acid

Abstract  

In the solid-state structure of the title compound, C₁₆H₁₀FNO₆, the configuration about the C=C double bond is E. The compound crystallized in the triclinic system, having space group P-1 with unit cell dimensions a = 5.829(10) ?, b = 8.801(16) ?, c = 13.543(3) ?, α = 87.753(15)°, β = 81.945(15)°, γ = 86.342(14)°. The structure of the molecule is V-shaped and in the crystal the molecules are linked to form inversion dimers connected by pairs of C–H···O hydrogen bonds.     

Synthesis and Structural Characterization of Dibromidobis(N,N′-dimethylthiourea-κS)cadmium(II) and Diiodidobis(N,N′-dimethylthiourea-κS)cadmium(II)

Abstract  

Cadmium(II) complexes, dibromidobis(N,N′-dimethylthiourea-S)cadmium(II), [Cd(Dmtu)₂Br₂] (1) and diiodidobis(N,N′-dimethylthiourea-S)cadmium(II), [Cd(Dmtu)₂I₂] (2), have been prepared and their structures have been determined by X-ray crystal structure analysis. Compound 1 crystallized in the monoclinic space group C2/c, and the metal ion is situated on a twofold rotation axis. Compound 2 also crystallized in a monoclinic space group, P2₁/c, but here the molecules have no crystallographic symmetry. In both compounds the cadmium atom is bonded to two halide ions and to two dimethylthiourea molecules through the sulfur atoms in a tetrahedral environment. The molecules are linked via N–H⋯Halide hydrogen bonds to form infinite one-dimensional chains in 1 and infinite two dimensional networks in 2. The complexes were also characterized by IR and NMR spectroscopy and the data are consistent with the structures of the compounds.     

Which nido:nido-macropolyhedral boranes are most stable?

A comparison of the relative stabilities computed at RB3LYP/6-311+G(d,p)//RB3LYP/6-31G(d)+ZPE of the neutral nido-single clusters and two vertex-sharing macropolyhedral nido:nido-clusters shows single-cluster nido-boranes with up to 11 vertexes to be energetically more favorable than isomeric macropolyhedral boranes. Extra hydrogen atoms at the open face have a significant influence on the relative stabilities of the single cluster nido-boranes vs nido:nido-macropolyhedral boranes. For anionic species, a clear-cut turning point for macropolyhedral preference is shifted to no less than 17 vertexes. Thermodynamically most stable neutral and anionic nido:nido-macropolyhedral boranes usually consist of a nido-10-vertex and a nido-11-vertex unit, respectively. The relative stabilities of isomeric neutral macropolyhedra reflect the patterns exhibited by the sum of thermodynamic stabilities of the individual clusters.     

Chelation-control in the formal [3+3] cyclization of 1,3-bis-(silyloxy)-1,3-butadienes with 1-hydroxy-5-silyloxy-hex-4-en-3-ones. One-pot synthesis of 3-aryl-3,4-dihydroisocoumarins

The [3+3] cyclization of 1,3-bis(silyloxy)-1,3-butadienes with 1-hydroxy-5-silyloxy-hex-4-en-3-ones resulted in the one-pot formation of 3-aryl-3,4-dihydroisocoumarins. The reactions proceeded by regioselective cyclization to give 6-(2-aryl-2-chloroethyl)salicylates, which underwent a silica gel-mediated lactonization. The cyclizations of protected 1-amino-5-silyloxy-hex-4-en-3-ones proved to be not regioselective.