Controlled trapping of single particle states on a periodic substrate by deterministic stubbing

A periodic array of atomic sites, described within a tight binding formalism is shown to be capable of trapping electronic states as it grows in size and gets stubbed by an ‘atom’ or an ‘atomic’ clusters from a side in a deterministic way. We prescribe a method based on a real space renormalization group method, that unravels a subtle correlation between the positions of the side coupled atoms and the energy eigenvalues for which the incoming particle finally gets trapped. We discuss how, in such conditions, the periodic backbone gets transformed into an array of infinite quantum wells in the thermodynamic limit. We present a case here, where the wells have a hierarchically distribution of widths, hosting standing wave solutions in the thermodynamic limit.     

Synthesis of polysubstituted benzothiophenes and sulfur-containing polycyclic aromatic compounds via samarium diiodide promoted three-component coupling reactions of thiophene-2-carboxylate

By the promotion of samarium diiodide, thiophene-2-carboxylate reacted with 2 equiv of ketones at the C-4 and C-5 positions to give diols such as 2 and 9. Because the intermediary organosamarium species were oxophilic but not too basic, the double hydroxyalkylations with various ketone substrates, including alkyl aryl ketones, acetylthiophenes, cyclohexanone, alpha-tetralone, and alpha-phenylacetophenones, were realized without complication of side reactions. The diol products underwent an acid-catalyzed dehydration to give dienes such as 3 and 10, which were treated with DDQ to give either polysubstituted thiophenes (e.g., 4 and 11) or benzothiophenes (e.g., 5, 13, and 14) depending on the reaction conditions. Oxidative annulations of 4,5-diarylthiophenes 11 and 4,5,6,7-tetraphenylbenzothiophenes 14 were carried out by photochemical or chemical methods to give the sulfur-containing polycyclic aromatic compounds, such as phenanthro[9,10-b]thiophene-2-carboxylate, piceno[13,14-b]thiophene-2-carboxylate, and tribenzo[fg,ij,rst]pentapheno[15,16-b]thiophene-2-carboxylates. This method is applicable to the preparation of polysubstituted thiophenes, benzothiophenes, and the related compounds possessing liquid crystalline, photochromic, and other functional properties.     

ICP-AES analysis of impurities in PuO2 after separation of Pu by TOPO impregnated XAD-4

Nuclear fuels should meet some specified characteristics to achieve their better performance in the reactor. Hence controlling and monitoring of trace level elements in the fuel materials are essential. Atomic emission spectroscopic methods are most popular for the trace level analysis. An ICP-AES procedure is described here for the trace level impurity analysis of PuO₂ produced through PUREX process. To avoid the Pu interference in the impurity analysis, initially the Pu was separated by extraction chromatography using TOPO impregnated XAD-4 resin. Magnitude of Pu interference in the impurities spectra lines was investigated. Moreover the recovery of impurity elements using the resin was established.     

Quantum molecular dynamics approach to estimate spallation yield from<Emphasis Type="Italic">p</Emphasis> +<Superscript>208</Superscript>Pb reaction at 800 MeV

The spallation yield of neutrons and other mass fragments produced in 800 MeV proton induced reaction on²⁰⁸Pb have been calculated in the framework of quantum molecular dynamics (QMD) model. The energy spectra and angular distribution have been calculated. Also, multiplicity distributions of the emitted neutrons and kinetic energy carried away by them have been estimated and compared with the available experimental data. The agreement is satisfactory. A major contribution to the neutron emission comes from statistical decay of the fragments. For mass and charge distributions of spallation products the QMD process gives rise to target-like and projectile-like fragments only.     

Dielectric relaxation phenomena of rigid polar liquid molecules under giga hertz electric field

The dielectric relaxation phenomena of rigid polar liquid molecules chloral and ethyltrichloroacetate (j) in benzene, n-hexane and n-heptane (i) under 4.2, 9.8 and 24.6 GHz electric fields at 30°C are studied to show the possible existence of double relaxation times τ ₂ and τ ₁ for rotations of the whole and the flexible parts of molecules. The probability of showing double relaxation is more in aliphatic solvents indicating their nonrigidity. The symmetric and asymmetric distribution parameters γ and δ are obtained from X _ij ^′ /X _0ij and X _ij ^″ /X _0ij and w _j →0 where X _ij ^′ and X _ij ^″ are real and imaginary parts of the complex orientational susceptibility X _i ^* and X _0ij is the low frequency susceptibility which is real. X _ij ’s are involved with the measured dielectric relative permittivities ε _ij ^′ , ε _in ^″ , ε _0ij and ε _∞ij of solutions. The theoretical weighted contributions c ₁ and c ₂ towards dielectric dispersions by Fröhlich’s method are compared with the experimental ones obtained from the graphical variation of X _ij ^′ /X _0ij and X _ij ^″ /X _0ij with weight fractions w _j ’s at w _j → 0. The measured dipole moments μ ₂ and μ ₁ of the whole and the flexible part of a polar molecule in terms of the linear coefficients β’s of X _ij ^′ ’s with w _j ’s and the estimated τ ₂ and τ ₁ reveal their associations with aliphatic solvents. The theoretical dipole moments μ _theo’s from the available bond angles and bond moments of the substituent polar groups of the molecules with the estimated μ’s suggest the mesomeric, inductive and electromeric effects in them under GHz electric field.     

A highly potent and selective PKCalpha inhibitor generated via combinatorial modification of a peptide scaffold

A potent and highly selective inhibitor of protein kinase C alpha has been generated via the combinatorial modification of a consensus sequence peptide. The inhibitor displays a Ki of 800 pM versus variable peptide substrate and good selectivity versus other members of the PKC family, including PKCbeta (385-fold), PKCgamma (580-fold), PKCdelta (2730-fold), PKCepsilon (600-fold), PKCeta (1310-fold), PKCtheta (1210-fold), PKCiota (940-fold), and PKCzeta (640-fold). The parallel synthesis strategy employed is easily automated and straightforward to implement.     

Interaction of coupled higher order nonlinear Schrödinger equation solitons

The novel inelastic collision properties of two-soliton interaction for an n-component coupled higher order nonlinear Schr?dinger equation are studied. Some interesting features of three soliton interactions, related to the integrability of the n-component coupled higher order nonlinear Schr?dinger equation are also discussed. Received 17 April 2002 Published online 2 October 2002 RID="a" ID="a"e-mail: abhijit@iitg.ernet.in RID="b" ID="b"e-mail: sasanka@iitg.ernet.in RID="c" ID="c"e-mail: sudipta@iitg.ernet.in     

Exotic electron states and tunable magneto-transport in a fractal Aharonov–Bohm interferometer

A Sierpinski gasket fractal network model is studied in respect of its electronic spectrum and magneto-transport when each ‘arm’ of the gasket is replaced by a diamond shaped Aharonov–Bohm interferometer, threaded by a uniform magnetic flux. Within the framework of a tight binding model for non-interacting, spinless electrons and a real space renormalization group method we unravel a class of extended and localized electronic states. In particular, we demonstrate the existence of extreme localization of electronic states at a special finite set of energy eigenvalues, and an infinite set of energy eigenvalues where the localization gets ‘delayed’ in space (staggered localization). These eigenstates exhibit a multitude of localization areas. The two terminal transmission coefficient and its dependence on the magnetic flux threading each basic Aharonov–Bohm interferometer is studied in details. Sharp switch on–switch off effects that can be tuned by controlling the flux from outside, are discussed. Our results are analytically exact.