Imaging delocalized electron clouds: photoionization of C(60) in Fourier reciprocal space

The dynamics of the photoionization of the two outermost orbitals of C(60) has been studied in the oscillatory regime from threshold to the carbon K edge. We show that geometrical properties of the fullerene electronic hull, such as its diameter and thickness, are contained in the partial photoionization cross sections by examining ratios of partial cross sections as a function of the photon wave number in the Fourier conjugated space. Evaluated in this unconventional manner photoemission data reveal directly the desired spatial information.     

Metformin and glitazones: does similarity in biomolecular mechanism originate from tautomerism in these drugs?

This theoretical study attempts to find out similarity between metformin and glitazone class of antidiabetic drugs. It was found that some tautomeric forms of both metformin and thiazolidinedione ring of glitazones have similar molecular electrostatic potential (MESP) surface and may bind to a common complementary surface. Complexation and docking studies were also carried out in order to support this hypothesis. Copyright © 2007 John Wiley & Sons, Ltd.     

Unitary group decomposition of hamiltonian operators. II. SU (4) irreducible tensors,norms and their energy variation and symmetry breaking

SU(6) ? SU(4) tensor decomposition of effective interactions in the 2s-1d shell has been carried out to examine the relative importance of the various irreducible tensors in many-particle spaces. For this purpose norms of the irreducible tensors are evaluated in many-particle spaces. Variation of the expectation value of the square of the irreducible tensor parts with excitation energy has also been examined using the polynomial expansion method. A new measure of symmetry breaking that is theoretically more sound is derived which includes in its definition partial width as well as internal width. This is used to study SU(4) symmetry mixing in nuclei.     

Optical signatures of spin-orbit interaction effects in a parabolic quantum dot

We demonstrate here that the dipole-allowed optical absorption spectrum of a parabolic quantum dot subjected to an external magnetic field reflects the interelectron interaction effects when the spin-orbit (SO) interaction is also taken into account. We have investigated the energy spectra and the dipole-allowed transition energies for up to four interacting electrons parabolically confined, and have uncovered several novel effects in those spectra that are solely due to the SO interaction.     

Highly efficient epoxidation method of olefins with hydrogen peroxide as terminal oxidant, bicarbonate as a co-catalyst and oxodiperoxo molybdenum(VI) complex as catalyst

A combination of the newly synthesized and structurally characterized compound, [MoO(O2)2(saloxH)](saloxH2= salicylaldoxime) as catalyst, H2O2 as terminal oxidant and NaHCO3 as co-catalyst when stirred in CH3CN (10 cm3) at room temperature (rt) shows a very pronounced efficiency epoxidation of olefinic compounds, the method being green and economical.     

Plane Symmetric Viscous Fluid Cosmological Models with Varying <Emphasis Type="Italic">Λ</Emphasis>-Term

Plane symmetric viscous fluid cosmological models of the universe with a variable cosmological term are investigated. The viscosity coefficient of bulk viscous fluid is assumed to be a power function of mass density whereas the coefficient of shear viscosity is to be proportional to rate of expansion in the model. We have also obtained a special model in which the shear viscosity is assumed to be zero. The cosmological constant Λ is found to be a decreasing function of time and a positive which is supported by results from recent supernovae Ia observations. Some physical and geometric properties of the models are also discussed.     

Laser-induced forward transfer technique for maskless patterning of amorphous V2O5 thin film

A laser-induced forward transfer technique has been applied for the maskless patterning of amorphous V₂O₅ thin films. A sheet beam of a frequency doubled (SHG) Q-switched Nd:YAG laser was irradiated on a transparent glass substrate (donor), the rear surface of which was pre-coated with a vacuum-deposited V₂O₅ 180 nm thick film was either in direct contact with a second glass substrate (receiver) or a 0.14 mm air-gap was maintained between the donor film and the receiving substrate. Clear, regular stripe pattern of the laser-induced transferred film was obtained on the receiver. The pattern was characterized using X-ray diffraction (XRD), optical absorption spectroscopy, scanning electron microscopy (SEM), energy dispersive analysis of X-ray (EDAX), atomic force microscopy (AFM), etc.     

Ti(III)-mediated opening of 2,3-epoxy alcohols to build five-membered carbocycles with multiple chiral centres

Stereoselective construction of highly substituted five-membered carbocycles with multiple chiral centres is described. Sharpless kinetic resolution was applied as the key step to prepare the required 2,3-epoxy alcohols and a Ti(III) radical mediated opening of the epoxide ring followed by intramolecular trapping of the generated radical with a suitably placed α,β-unsaturated ester resulted in the formation of five-membered carbocycles with up to three consecutive new chiral centres stereoselectively fixed.     

A simple mathematical model for seasonal planktonic blooms

We show how the inclusion of the defense strategy by different species can alter the prediction of simple models. One of the defense strategy by the phytoplankton population against their grazer is the release of toxic chemicals. In turn the zooplankton population reduces there predation rate over toxin producing phytoplankton (TPP) to protect themselves from those toxic chemicals. Thus, when the level of toxicity is high, the grazing pressure is low and when the level of toxicity is low or when the toxin is absent, the grazing pressure is high. Here we have considered a TPP–zooplankton system where the rate of toxin liberation and the predation rate vary with zooplankton abundance. We observe that our proposed model has the potential to show different dynamical behaviour that are similar to that seen in real‐world situations. Further, we consider three different functional forms for the distribution of the toxins and compare them using latin hypercube sampling technique and found that the functional forms seem to have no effect in determining the final outcome of the system. Copyright © 2009 John Wiley & Sons, Ltd.