Sub-shell distributions of total electron capture and ionization cross-sections in Bq+ (q = 1−4) + H collisions

The Classical Trajectory Monte-Carlo (CTMC) simulation method has been employed to calculate the total electron capture cross-sections with sub-shell distributions and ionization cross-sections in collision of B ^q+ (q=1-4) with ground state atomic hydrogen in the energy range of 10-200 keV/amu. The computed results have been observed to be in reasonable agreement with other existing theoretical and experimental results over the entire energy region considered. Received 23 February 1999 and Received in final form 23 May 1999     

Zinc oxide nanorod‐loaded activated carbon for ultrasound‐assisted adsorption of safranin O: Central composite design and genetic algorithm optimization

This paper focuses on the development of an effective methodology to obtain the optimum ultrasonic‐assisted removal of a dye, safranin O (SO), under optimum conditions that maximize the removal percentage, using ZnO nanorod‐loaded activated carbon (ZnO‐NRs‐AC) in aqueous solution. Central composite design coupled with genetic algorithm was used for parameter optimization. The effects of variables such as pH, initial dye concentration, mass of ZnO‐NRs‐AC and sonication time were studied. The interactive and main effects of these variables were evaluated using analysis of variance. The structural and physicochemical properties of the ZnO‐NRs‐AC adsorbent were investigated using field emission scanning electron microscopy and X‐ray diffraction. Adsorption equilibrium data were fitted well with the Langmuir isotherm and the maximum monolayer capacity was found to be 32.06 mg g^?1. Studies of the adsorption kinetics of the SO dye showed a rapid sorption dynamic with a ^pseudo‐second‐order kinetic model, suggesting a chemisorption mechanism.     

Complete integrability of coupled KdV and NLS equations

Painlevé analysis is performed for the coupled system of nonlinear partial differential equations consisting of the KdV equation and NLS equation initially studied by Nishikawa. Various possibilities for the constants occurring in the system are explored, paying attention to the integrability property. This equation occurring in the field of plasma physics satisfies all the requirements of Painlevé analysis and can be ascertained to be completely integrable, though no Lax pair is known for it.     

SEM analysis and gas permeability test to characterize polysulfone membrane prepared with polyethylene glycol as additive

Phase inversion method is applied to prepare flat sheet asymmetric polymeric membranes from homogeneous solution of 12 wt% polysulfone (PSf) with two different solvents--N-methyl-2-pyrrolidone (NMP) and dimethyl acetamide (DMAc). 5.0 wt% polyethylene glycol (PEG) of three different molecular weight (400, 6000, and 20,000 Da) is used as the polymeric additives in the casting solution. Membranes are characterized by two different techniques viz. scanning electron microscopy (SEM) and gas permeation tests. Finally, the results of both the techniques are compared with those calculated from pure water permeation tests using Hagen-Poiseuille equation. It is found that though the values obtained from all the techniques vary from each other, their trend with increase in molecular weight of PEG seems to be the same. It is seen that when molecular weight of PEG increases from 400 to 20,000 Da, the mean pore size of the prepared membranes decreases, while the porosity and pore density show an increasing trend; the pressure normalized gas flux rises significantly and the thickness of the top layer of the prepared membrane sheet increases.     

An Inverse Problem for the Benney-Kaup System - Periodic and Decaying Case

We have formulated the inverse problem for the Benney-Kaup system in both the case of asymptotically decaying and periodic solution. In the former we set up the Gelfand-Levitan-Marchenko equation and study the analytic properties required therein. In the latter case we prove that the nonlinear field can be determined by the Abel inversion on a Riemann surface with the help of elliptic or theta functions.     

Grafting Poly(3‐hexylthiophene) from Silicon Nanocrystal Surfaces: Synthesis and Properties of a Functional Hybrid Material with Direct Interfacial Contact

Hybrid functional materials (HFMs) comprised of semiconductor nanoparticles and conjugated polymers offer the potential of synergetic photophysical properties. We have developed HFMs based upon silicon nanocrystals (SiNCs) and the conductive polymer poly(3‐hexylthiophene) (SiNC@P3HT) by applying surface‐initiated Kumada catalyst transfer polycondensation (SI‐KCTP). One unique characteristic of the developed SiNC@P3HT is the formation of a direct covalent bonding between SiNCs and P3HT. The presented method for obtaining direct interfacial attachment, which is not accessible using other methods, may allow for the development of materials with efficient electronic communication at the donor–acceptor interfaces. Systematic characterization provides evidence of a core–shell structure, enhanced interfacial electron and/or energy transfer between the P3HT and SiNC components, as well as formation of a type‐II heterostructure.     

Total synthesis of hyptolide

The total synthesis of hyptolide, a naturally occurring α,β-unsaturated six-membered δ-lactone substituted with a polyoxygenated chain, is described. Sharpless kinetic resolution and opening of two different epoxy alcohols under two different conditions—Swern oxidation conditions and a radical reaction using Cp₂TiCl—fixed the stereocenters at C-9, C-11, and C-12, respectively. Brown’s asymmetric allylation reaction installed the remaining stereocenter at C-6. A RCM protocol was used for construction of the α,β-unsaturated six-membered δ-lactone moiety of the molecule.     

A promising class of luminescent derivatives of Silver(I) and Gold(I)-N-heterocyclic carbene

Starting from proligand 1-methyl-2-(phenyl)imidazo[1,5-a]pyridine-2-iumchloride ( 1 .HCl), 1-methyl-2-(phenyl)imidazo[1,5-a]pyridine silver(I)chloride, ( 2 ) has been prepared. Synthesis, structures and photophysical properties of (2,2^/−bipyridyl)-1-methyl-2-(phenyl)imidazo[1,5-a]pyridinesilver(I)hexaflurophosphate, ( 3 ), 1-methyl-2-(phenyl)imidazo[1,5-a]pyridinesilver(I)carbazolate, ( 4 ) and 1-methyl-2-(phenyl)imidazo[1,5-a]pyridinegold(I)carbazolate, ( 5 ) are focused. Herein we have first reported the NHC-Ag-(bpy/carbazole). All the complexes have been characterized by elemental analysis, various spectroscopic studies and finally screened for luminescent properties. All the complexes are strongly emissive. Solid state structures of 2 , 3 , 4 and 5 have been determined by X-ray diffraction studies. Conventionally, complex 2 adopts linear geometry whereas complex 3 embraces triangular planar geometry around Ag; complex 4 and 5 clinches linear geometry around Ag/Au. All the complexes absorb light within 275–343 nm. Complex 3 is luminous at ~407 mn, whereas complex 4 and 5 luminous at ~360 nm having short life time 1.00–6.97 ns. The quantum yield (Φ_em) of the complexes varies 0.106–0.186. It is expected variation of luminescence arises due to change of metal and the chromophore (bpy/carbazole). Density Functional Theory (DFT) and Temparature Dependent Density Functional Theory (TDDFT) calculations were performed to verify crystallographically derived parameters and to calculate the UV–Vis properties of the ground state as well as of the first excited state of the complexes.     

Electron capture by fast protons from helium-like ions

Four-body formalism of boundary corrected continuum intermediate state (BCCIS-4B) approximation have been applied to calculate the single-electron capture cross sections by fast protons through some helium-like ions in a large energy range from 30–1000 keV. In this model, distortion has been taken into account in the entrance channel. In the final channel, the passive electron plays the role of screening of the target ion. However, continuum states of the projectile and the electron in the field of the residual target ion are included. The comparison of the results is made with those of other theoretical investigations and experimental findings. The present calculated results are found to be in good agreement with the available experimental findings.     

Electron excitation of hydrogen atom by ions impact in the energy range 20–1000 keV/amu

We have calculated the electron excitation cross sections of hydrogen atom by the impact of protons, alpha particles and He⁺ ions using the boundary corrected continuum intermediate state approximation in the intermediate and high energies. The calculated results are compared with other theoretical and experimental results. The angular influence of excitation to the H atom at the intermediate energy is also discussed. The distortion effects due to the projectile charges in reactions of electron excitation to bound states of the target H atom are shown in the intermediate and high collision energy.