Influence of non-metallic atoms on the absorption of amphetamines on B12N12 nano-cages

Structural Chemistry - Density functional theory (DFT) calculations at B3LYP/6-31+G(d) level were employed to investigate the influence of the non-metal encapsulation of the second row of the...     

HEXAMETHYLDISILAZANE IN THE PRESENCE OF N,N′,N″,N‴-TETRAMETHYLTETRA-2,3-PYRIDINOPORPHYRAZINATO COPPER (II) IS A NEW,MILD AND HIGHLY EFFICIENT REAGENT FOR SILYLATION OF ALCOHOLS AND PHENOLS

Alcohols and phenols are protected with hexamethyldisilazane in the presence of N,N′,N′,N?-tetramethyletra-2,3-pyridinoporphyrazinato copper (II) in good-to-excellent yields at room temperature.     

Sono-chemical synthesis and characterization of Fe3O4@mTiO2-GO nanocarriers for dual-targeted colon drug delivery

Research on Chemical Intermediates - In this study, a kind of magnetic Fe3O4@mTiO2-GO (where m was shorted mesoporous) hybrids with core–shell nano-structure for controlled dual targeted drug...     

In situ crystallization of ZnAl2O4/ZnO nanocomposite on alumina granule for photocatalytic purification of wastewater

Research on Chemical Intermediates - ZnAl2O4/ZnO nanocomposites with different ZnO (20, 30, and 40 mol%) concentrations and coated samples on supports were successfully prepared through...     

A new direction in design and manufacture of co-sensitized dye solar cells: Toward concurrent optimization of power conversion efficiency and durability

A novel methodology was implemented in the present study to concurrently control power conversion efficiency (η) and durability (D) of co-sensitized dye solar cells. Applying response surface methodology (RSM) and Desirability Function (DF), the main influential assembling (dye volume ratio and anti-aggregation agent concentration) and operational (performance temperature) parameters were systematically changed to probe their main and interactive effects on the η and D responses. Individual optimization based on RSM elucidated that D can be solely controlled by changing the ratio of vat-based organic photosensitizers, whereas η takes both effects of dye volume ratio and anti-aggregation concentration into account. Among the studied factors, the performance temperature played the most vital role in η and D regulation. In particular, however, multi-objective optimization by DF explored the degree to which one should be careful about manipulation of assembling and operational parameters in the way maximization of performance of a co-sensitized dye solar cell.     

Preparation and characterization of cellulose-ZnO nanocomposite based on ionic liquid ([C4mim]Cl)

Cellulose-ZnO composite was achieved by microwave assisted dissolution of cellulose in ionic liquid 1-butyl-3-methylimidazolium chloride ([C₄mim]Cl) followed by addition of premixed ground of Zn(CH₃COO)₂·2H₂O and NaOH. Surface characterization, optical property and thermal stability of nanocomposite were determined by X-ray diffraction, scanning electron microscopy (SEM), UV–Vis spectroscopy and thermo gravimetric analysis. XRD patterns showed the ZnO in polymer matrix has the wurtzite structure. Presence of zinc oxide nanoparticles and cellulose fibers in the composites were observed by SEM. Band-edge transition of zinc oxide in the nanocomposite occurs in lower wavelength than bulk zinc oxide. Thermal stability of nanocomposite was lower than regenerated cellulose due to catalyst behavior of zinc oxide nanoparticles in cellulose matrix.     

Silica Chromate as a Novel Oxidizing Agent for the Oxidation of 1,4‐Dihydropyridines

Silica chromate easily converts 1,4‐dihydropyridines to their corresponding pyridines in the presence of NaHSO₄ · H₂O and wet SiO₂ in dichloromethane at room temperature in good to excellent yields.     

Crystal Structure of the Second Polymorph of Octaethylporphyrin Iron(III) with Monoanion 1,4-Phenyldicyanamide, [Fe(OEP)(DicydH)]

Abstract  

Molecular structure of the second polymorph of [Fe(OEP)(DicydH)], where OEP is the dianion of octaethylporphyrin and DicydH = monoanion of 1,4-phenyldicyanamide, was determined by single-crystal X-ray diffraction. Fe(III) atom is five-coordinate to four N atoms of the porphyrin ring and to one nitrogen atom of DicydH. The compound is characterized by an average Fe–N_p bond length of 2.057 ?. The Fe–N_ax bond distance is 1.969(6) ?. Crystal data: crystal system, orthorhombic, a = 15.048(2), b = 17.515(3), c = 29.440(4) ?, space group, Pcab, V = 7759(2) ?³, Z = 8.     

Synthesis and Characterization of Two New Organic Dyes for Dye-Sensitized Solar Cells

In the present study, two new organic dyes based on indigo were prepared and used as sensitizers in dye-sensitized solar cells. To this end, indoxyl was utilized as the electron-donor and acrylic acid and cyanoacrylic acid were used as the electron-acceptor anchoring groups. These dyes were purified and characterized by analytical techniques. Spectrophotometric evaluations of the prepared dyes in solution and on a nano-anatase-TiO₂ substrate were investigated. Additionally, oxidation potential measurements were also carried out. Finally, dye-sensitized solar cells were fabricated to determine the photovoltaic behavior and conversion efficiency of each dye.

[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.]     

Substituent effect on local aromaticity in mono and di‐substituted heterocyclic analogs of naphthalene

A quantitative study on local aromaticity has been performed on a series of mono‐ and di‐substituted biheterocycles (quinoline, isoquinoline, quinoxaline, quinazoline). Three electronically based indices (PDI, ATI, and FLU) have been employed to investigate the substituent effect on the π‐electron delocalization in both heterocycle and benzenoid rings. Three typical substituents (Cl, OCH₃, and CN) with different inductive and resonance power have been selected. Generally, substituent causes a reduction in aromaticity irrespective of whether it is electron attracting or electron donating. It is shown that the maximum aromaticity exhibits a similar trend of Cl > CN > OCH₃ for all the studied rings. Moreover, it is found that the substituent situation with respect to the heteroatom has a significant influence on the aromaticity. It results from our study that in di‐substituted derivatives, irrespective of whether the two substituents form a meta or para isomer, they preferably choose the position which leads to the maximum aromaticity character. Copyright © 2009 John Wiley & Sons, Ltd.