Nuclear structure calculations using momentum-dependent delta interactions (MDD)

The ground-state properties of a nucleus have been investigated using momentum- and density-dependent δ-interactions. Unlike the Skyrme type of interaction, the two-body interaction used has terms dependent on the fourth power of the relative momenta. The role of these new terms has been investigated by using the density-matrix expansion technique of Negele and Vautherin. The interaction has been used to calculate, amongst other phenomena, the ion-ion interaction potential and the nucleon-nucleus optical potential. The improvements obtained using such an interaction over the Skyrme II type of interactions (which have small odd state components) are discussed in detail. It is shown that the effective mass, $\text{m}{}^1$, is larger in magnitude than obtained by using the Skyrme II type of interaction. It has been suggested that such interactions could be more appropriate than the Skyrme type of interactions in physical situations where large momentum transfers are involved.     

Ultrafast Relaxation Processes of Conjugated Polymer Nanoparticles in the Presence of Au Nanoparticles

Considering the importance of conjugated polymer nanoparticles, major emphasis has been given for designing and understanding the energy transfer and charge transfer processes of organic‐inorganic hybrids for light harvesting applications. In the present study, we have designed an aqueous solution‐based light harvesting system using conjugated polymer nanoparticles (poly[2‐methoxy‐5‐(2‐ethylhexyloxy)‐1,4‐phenylenevinylene], MEH‐PPV) and Au nanoparticles. The change in photo‐induced processes in the presence of metal nanoparticles are studied by steady‐state absorption, time‐resolved emission, time‐resolved fluorescence up‐conversion, ultrafast anisotropy and femtosecond transient absorption spectroscopy. Global and target analysis of transient absorption data validate the creation of a collective delocalized state in polymer nanoparticles, and the time scale for excitation energy funnelling from S₁ state to low lying collective delocalized state (CL_s) is 18 ps. Then, the electron transfer from the CL_s state to Au NP occurs with a time constant of 150 ps. The 815 ps long lived charge transfer (CT) state signifies the charge transfer from the CL_s state of polymer nanoparticles to Au NP. Such basic understanding of relaxation processes in hybrid systems is very important for designing inorganic‐organic hybrid light‐harvesting systems.     

One-shot multigrid method for aerodynamic shape optimization

This paper presents a numerical method for aerodynamic shape optimization problems. It is based on simultaneous pseudotime-stepping in which the optimality is reached simultaneously with the state and costate feasibility. An optimization-based multigrid strategy results in efficient convergence of the method. The total effort of optimization is less than two forward simulation runs. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

MHD flow and heat transfer from continuous surface in uniform free stream of non-Newtonian fluid

An analysis is carried out to study the steady flow and heat transfer charac- teristics from a continuous flat surface moving in a parallel free stream of an electrically conducting non-Newtonian viscoelastic fluid.The flow is subjected to a transverse uni- form magnetic field.The constitutive equation of the fluid is modeled by that for a second grade fluid.Numerical results are obtained for the distribution of velocity and temperature profiles.The effects of various physical parameters like viscoelastic param- eter,magnetic parameter and Prandtl number on various momentum and heat transfer characteristics are discussed in detail and shown graphically.     

Direct carbamoylation of aryl halides

[reaction: see text] A carbamoylsilane is shown to carry out the direct carbamoylation of aryl chlorides, bromides, and iodides under catalysis by phosphinepalladium(0) complexes.     

Direct carbamoylation of alkenyl halides

Alkenyl chlorides and bromides are converted into tertiary enamides by treatment with a carbamoylsilane in toluene at 110 degrees C in the presence of phosphine-palladium(0) catalysts. [reaction: see text]     

Au nanoparticle decorated silicate network for the amperometric sensing of isoniazid

Au nanoparticle (nAu) based electrochemical platform for the amperometric sensing of isoniazid at sub-nanomolar level is developed. The sol-gel derived 3-dimensional silicate network pre-assembled on a conducting substrate is chemically decorated with nAu of 70-100 nm by seed-mediated growth approach. The Au nanoseeds are first chemisorbed onto the thiol functional groups of the silicate network and their size was enlarged by hydroxylamine seeding. The nanoparticles efficiently catalyze the oxidation of isoniazid at less positive potential. Large decrease in the overpotential and significant enhancement in the anodic peak current with respect to the polycrystalline Au electrode are observed. The nanoparticle based platform is highly sensitive (4.03 ± 0.01 nA/nM) and it linearly responds to isoniazid up to the concentration of 1 mM. It could detect as low as 0.1 nM (S/N = 5) of isoniazid at the potential of 10 mV in aqueous solution without any redox mediator. The catalytic response of the sensing platform depends on the amount of nanoparticles loaded onto the silicate network. Very interestingly, the sensing platform could simultaneously detect isoniazid and hydrazine in their coexistence without compromising the sensitivity. Well separated individual voltammetric response is obtained for both analytes. The sensing platform is highly stable and it can be repeatedly used for 7 days.     

Flow and heat transfer of an electrically conducting third grade fluid past an infinite plate with partial slip

The effects of partial slip on the steady flow and heat transfer of an electrically conducting, incompressible, third grade fluid past a horizontal plate subject to uniform suction and blowing is investigated. Two distinct heat transfer problems are studied. In the first case, the plate is assumed to be at a higher temperature than the fluid; and in the second case, the plate is assumed to be insulated. The momentum equation is characterized by a highly nonlinear boundary value problem in which the order of the differential equation exceeds the number of available boundary conditions. Numerical solutions for the governing nonlinear equations are obtained over the entire range of physical parameters. The effects of slip, magnetic parameter, non-Newtonian fluid characteristics on the velocity and temperature fields are discussed in detail and shown graphically. It is interesting to find that the velocity and the thermal boundary layers decrease with an increase in the slip, and as the slip increases to infinity, the flow behaves as though it were inviscid.     

Chemical shift anisotropy edited complete unraveling of overlapped 1H NMR spectra of enantiomers: application to small chiral molecules

The differential values of NMR spectral parameters like chemical shift anisotropies, dipolar couplings and quadrupolar couplings of enantiomers in chiral liquid crystalline media are employed not only for their visualization but also for their quantification. Large differences in chemical shift anisotropies and the quadrupolar couplings between the enantiomers enable the use of 13C and extensive 2H NMR detection for such a purpose. In spite of high magnetic moment, high sensitivity and abundant presence of protons in all the chiral molecules, 1H detection is not routinely employed due to severe overlap of unresolved transitions arising from short and long distance couplings. Furthermore, the doubling of the spectra from two enantiomers and their indistinguishable overlap due to negligible difference in chemical shift anisotropies hampers their discrimination. The present study demonstrates the use of proton chemical shift anisotropy as an exclusive parameter for such a discrimination. The method employs the non-selective excitation of homonuclear Nth quantum coherence of N coupled protons. The simultaneous flipping of all the coupled spins results in a single transition in the multiple quantum dimension at the cumulative sum of their anisotropic chemical shifts for each enantiomer, with the measurable difference between them, resulting in their complete unraveling.