Facile protic hydration of acetonitrile to protonated acetamide at oxygen mediated by chloroauric acid: insights from experimental and calculations

Research on Chemical Intermediates - Chemical transformations such as nitrile hydration or carbon–oxygen bond formation reactions under gentle conditions are important in the pharmaceutical...     

Synthesis of of sterically encumbered biaryls based on a ‘copper(I)-catalyzed arylation/[3+3] cyclocondensation’ strategy

Sterically encumbered biaryls are prepared in two steps by combination of the CuI-proline-catalyzed arylation of acetylacetone with formal [3+3] cyclizations of 1,3-bis(trimethylsilyloxy)-1,3-dienes. In addition, the synthesis of 4,6- and 5,6-diarylsalicylates based on [3+3] cyclizations is reported.     

Operator splitting for numerical solutions of the RLW Equation

In this study, the numerical behavior of the one-dimensional Regularized Long Wave (RLW) equation has been sought by the Strang splitting technique with respect to time. For this purpose, cubic B-spline functions are used with the finite element collocation method. Then, single solitary wave motion, the interaction of two solitary waves and undular bore problems have been studied and the effectiveness of the method has been investigated. The new results have been compared with those of some of the previous studies available in the literature. The stability analysis has also been taken into account by the von Neumann method.     

Antibacterial Activities and Molecular Docking of Novel Sulfone Biscompound Containing Bioactive 1,2,3-Triazole Moiety

In this study, a new synthetic 1,2,3-triazole-containing disulfone compound was derived from dapsone. Its chemical structure was confirmed using microchemical and analytical data, and it was tested for its in vitro antibacterial potential. Six different pathogenic bacteria were selected. MICs values and ATP levels were determined. Further, toxicity performance was measured using MicroTox Analyzer. In addition, a molecular docking study was performed against two vital enzymes: DNA gyrase and Dihydropteroate synthase. The results of antibacterial abilities showed that the studied synthetic compound had a strong bactericidal effect against all tested bacterial strains, as Gram-negative species were more susceptible to the compound than Gram-positive species. Toxicity results showed that the compound is biocompatible and safe without toxic impact. The molecular docking of the compound showed interactions within the pocket of two enzymes, which are able to stabilize the compound and reveal its antimicrobial activity. Hence, from these results, this study recommends that the established compound could be an outstanding candidate for fighting a broad spectrum of pathogenic bacterial strains, and it might therefore be used for biomedical and pharmaceutical applications.     

Patterned polymer brushes

This critical review summarizes recent developments in the fabrication of patterned polymer brushes. As top-down lithography reaches the length scale of a single macromolecule, the combination with the bottom-up synthesis of polymer brushes by surface-initiated polymerization becomes one main avenue to design new materials for nanotechnology. Recent developments in surface-initiated polymerizations are highlighted along with diverse strategies to create patterned polymer brushes on all length scales based on irradiation (photo- and interference lithography, electron-beam lithography), mechanical contact (scanning probe lithography, soft lithography, nanoimprinting lithography) and on surface forces (capillary force lithography, colloidal lithography, Langmuir-Blodgett lithography) (116 references).     

DFT and FT-IR analyses of hydrogen bonding in 3-substistuted-3-oxo-arylhydrazonopropanenitriles

Ab initio calculations, FT-IR and X-ray crystal analysis, indicated that the most stable configuration of 3-oxo-2-(phenylhydrazono)-3-(thien-2-yl)-propionitrile is the anti phenylhydrazone structure 1. Stability of such a conformation, over the possible E-form, 2, that would be stabilized by intramolecular hydrogen bonding, is due to interaction between electron-pair domains of the N, S and O atoms. However, the simulated and experimental IR frequency data indicated intermolecular hydrogen bonding between NH and CN, the latter being lowered to 2214 cm(-1). Studies on 3-oxo-3-phenyl-2-(phenylhydrazono)-propionitrile showed the same result, as well as, another intramolecular hydrogen association of the type N-H...O. This was clearly indicated by the absorbance of the carbonyl stretch at 1605 cm(-1). These data indicated the existence of a bifurcated hydrogen bond in 1a and a single intermolecular association in 1b.     

C12H12 interconversions: Two non-pyrolytic syntheses of tricyclo[5.3.2.04,8]dodeca-2,5,9,11-tetraene

Herein, we describe two independent and non-pyrolytic syntheses of an important C₁₂H₁₂ hydrocarbon which had been prepared previously by gas phase thermolysis of compound 6. The first method is based on an unusual dipolar cycloaddition of dichloroketene onto bullvalene. After reductive dechlorination, a Shapiro-Heath reaction of the tosylhydrazone gave the title compound. Alternatively, compound 13 is also obtained from its isomer 6 by a Ag⁺ catalyzed reaction.     

cis-β-Bromostyrene derivatives from cinnamic acids via a tandem substitutive bromination-decarboxylation sequence

cis-β-Bromostyrene derivatives were synthesized stereospecifically from cinnamic acids through β-lactone intermediates. The synthetic sequence did not require the purification of the β-lactone intermediates although they were found to be stable and readily purified in most cases.     

Combined effect of gamma irradiation and hot water dipping on the selected nutrients and shelf life of peach

Gamma irradiation in combination with hot water dipping treatment was tested for maintaining storage quality and extending the shelf life of peach fruit. The matured peaches fruits (local variety no, Tex-A-6-69) were first dipped in hot water having temperature of 0, 40 and 60 °C for 60 seconds and they were exposed to 0.5 and 1.0 kGy doses of gamma radiation and stored in paper cartons under ambient (temperature 25 ± 2 °C, RH 70 %) conditions for their physico-chemical evaluations on weekly basis. The combine effect of hot water dipping treatment and irradiation for peach was study for the first time in Pakistan. The parameters studied included % weight loss, % ash content, % moisture content, total soluble solids (TSS), titratable acidity and ascorbic acid. The sensory indices studied were size, shape, color and overall acceptability. The sensory evaluation values at 0 days for the controlled peach sample were recorded for comparison. Statistical analysis was performed to find determinates of irradiation alone and in combination with hot water dipping techniques on peaches. Studies revealed that irradiation treatment in combination with hot water treatments significantly (LSD at 5 %) maintained the storage quality of peach fruit under ambient conditions. Data obtained for weight loss, moisture, shape and overall acceptability showed significant results while non-significant values were recorded for ash, TSS and size. Overall, consumers rated the acceptability of treated peaches higher than untreated peaches. This particular type of research also helps in improving one’s country export quality of fruits.