Ab initio evaluation of oxidation numbers in some substituted benzenes

Giambiagi’s definition of oxidation number of an atom in a molecule has been applied successfully in theab initio SCF theory to calculate oxidation numbers using STO-3G and 4–31G basis sets for some substituted benzenes involving -F, -OH, -CH₃ and -NH₂ as substituents. The present study suggests that the oxidation numbers also seem to be indicative of their orientational behaviour like the net atomic charges.     

Raman and infrared spectra of tere-phthalaldehyde

The laser Raman spectrum of tere-phthalaldehyde powder has been recorded on a Jobin Yvonhg 2S spectrophotometer with a~100 mW Argon-Ion laser. The infrared spectrum of the solid substance has been recorded on a Perkin-Elmer 621 spectrophotometer in the region 300–4000 cm^-1 using KBr and nujol mull techniques. The observed frequencies have been assigned in terms of the fundamentals, overtones and combinations assumingD _2h point-group symmetry.     

Jet produced by collapse of conical free surface of a metal by plane shock wave

Theoretical and experimental investigations of metal-jets, produced by interaction of a plane shock wave with a conical cavity at free surface of metals like aluminium, copper and mild steel, have been carried out and an attempt has been made to correlate the jet velocity with shock parameters. The velocity of the jet, obtained from the cavity of different half angles have been mostly measured with oscillographic technique. The experimental results agree with theory within experimental variations. The velocity of the jet increases monotonically with the particle velocity but decreases with increase in the angle of the cavity.     

Ultrasonic study on binary liquid mixtures between some bromoalkanes and hydrocarbons

Densities and ultrasound velocities for the binary mixtures of 1-bromobutane+benzene and 1,4-dimethylbenzene and of 1-bromopentane+cyclohexane and benzene have been measured at 308.15 K. Adiabatic compressibilities (beta(ad)), and Wada's constants (W) have also been evaluated as a function of composition. The ultrasound velocities decrease, attains a minimum and then increase with increase in mole fractions of hydrocarbons in the binary mixtures except in the case of 1-bromopentane+benzene binary mixtures where the variation is just the reverse. Dependence of adiabatic compressibilities with mole fractions of hydrocarbons is sigmoid. The non-ideal behaviour of the systems studied is explained on the basis of dipole-induced dipole interactions.     

Generation of Bianchi type V cosmological models with varying Λ-term

Bianchi type V perfect fluid cosmological models are investigated with cosmological term varying with time. Using a generation technique (Camci et al., 2001), it is shown that Einsteins field equations are solvable for any arbitrary cosmic scale function. Solutions for particular forms of cosmic scale functions are also obtained. The cosmological constant is found to be a decreasing function of time, which is supported by results from recent type Ia supernovae observations. Some physical aspects of the models are also discussed.     

Novel efficient mesoporous solid acid catalyst UDCaT-4: dehydration of 2-propanol and alkylation of mesitylene

A novel mesoporous solid acid catalyst named UDCaT-4 was synthesized by incorporating superacidic centers of persulfated alumina and zirconia into highly ordered and well-defined hexagonal mesoporous silica. The catalyst is well characterized, and its properties are compared with those of bulk persulfated alumina and zirconia (PAZ) by FTIR spectroscopy, X-ray diffraction, Brunauer-Emmett-Teller surface area, pore size analysis, scanning electron microscopy, energy dispersive X-ray spectroscopy, and ammonia temperature-programmed desorption. UDCaT-4 is more acidic than PAZ. The dehydration processes of 2-propanol, diisopropyl ether, and n-propanol were studied independently including a mixture of n-propanol and 2-propanol to throw light on kinetics and mechanism. For alkylation of mesitylene with 2-propanol, UDCaT-4 exhibits superior catalytic activity in comparison with PAZ and also it shows remarkable stability toward coke formation. Kinetic interpretations of the observed rate data are presented for all reactions, and mechanistic models are developed. The results are novel.     

Enhanced intravenous transgene expression in mouse lung using cyclic-head cationic lipids

Herein, we report enhanced intravenous mouse lung transfection using novel cyclic-head-group analogs of usually open-head cationic transfection lipids. Design and synthesis of the new cyclic-head lipid N,N-di-n-tetradecyl-3,4-dihydroxy-pyrrolidinium chloride (lipid 1) and its higher alkyl-chain analogs (lipids 2-4) and relative in vitro and in vivo gene transfer efficacies of cyclic-head lipids 1-4 to their corresponding open-head analogs [lipid 5, namely N,N-di-n-tetradecyl-N,N-(2-hydroxyethyl)ammonium chloride and its higher alkyl-chain analogs, lipids 6-8] have been described. In stark contrast to comparable in vitro transfection efficacies of both the cyclic- and open-head lipids, lipids 1-4 with cyclic heads were found to be significantly more efficient (by 5- to 11-fold) in transfecting mouse lung than their corresponding open-head analogs (5-8) upon intravenous administration. The cyclic-head lipid 3 with di-stearyl hydrophobic tail was found to be the most promising for future applications.     

Mercuric triflate catalyzed hydroxylative carbocyclization of 1,6-enynes

[reaction: see text] Hg(OTf)(2) exhibits remarkable catalytic activity for the hydroxylative cyclization of 1,6-enynes. The present procedure should involve a sequence of mercuration of a terminal alkyne, carbocyclization, hydration, and protodemercuration that regenerates the catalyst.     

Synergism of ultrasound and solid acids in intensification of Friedel-Crafts acylation of 2-methoxynaphthalene with acetic anhydride

The Friedel-Crafts acylation of 2-methoxynaphthol is generally carried out by using highly polluting acids such as HF, AlCl(3), BF(3) which are used in more than stoichiometric quantities and are neutralized at the end creating large quantities of waste, corrosion problems and hazard. This paper discusses the use of acid treated clays such as K-10 and Filtrol-24 and cation exchange resins such as Amberlyst-36, Amberlyst-15 and Indion-130 as catalysts at 25 degrees C which have different acid strengths and pore size distributions. The activities were in the following order:Amberlyst-36>Indion-130>Amberlyst-15>K-10clay>Filtrol-24.In the presence of ultrasound, the activities were found to increase by more than a factor of 3 in the case of large porous resins than the clays. The selectivity to 1-acyl-2-methoxynaphthalene was found to remain the same. Utrasonics did not promote isomerisation or direct conversion to 6-acyl-2-methoxynaphthalene.