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Shiv Nadar University

(SoNS) School of Natural Sciences

With the example of the non-resonant inelastic x-ray scattering (NIXS) at the O45 edges (5d→5f) of the actinides, we develop the theory for shallow-core to valence excitations, where the multiplet spread is larger than the core-hole attraction, such as if the core and valence orbitals have the same principal quantum number. This involves very strong final state configuration interaction (CI), which manifests itself as huge reductions in the Slater-Condon integrals, needed to explain the spectral shapes within a simple renormalized atomic multiplet theory. But more importantly, this results in a cross-over from bound (excitonic) to virtual-bound excited states with increasing energy, within the same core-valance multiplet structure and in large differences between the dipole and high-order multipole transitions, as observed in NIXS. While the bound states (often higher multipole allowed) can still be modeled using local cluster-like models, the virtual-bound resonances (often dipole-allowed) cannot be interpreted within such local approaches. This is in stark contrast to the more familiar core-valence transitions between different principal quantum number shells, where all the final excited states almost invariably form bound core-hole excitons and can be modeled using local approaches. The possibility of observing giant multipole resonances for systems with high angular momentum ground states is also predicted. The theory is important to obtain ground state information from core-level x-ray spectroscopies of strongly correlated transition metal, rare-earth and actinide systems. {\textcopyright} 2011 American Physical Society.

Physics

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Physical Review B - Condensed Matter and Materials Physics

Coexistence of bound and virtual-bound states in shallow-core to valence x-ray spectroscopies

We report a facile diversity oriented synthesis of α- and β-amino acids, by utilizing the pluripotent α-methylene group in a chiral bicyclic lactam as our key point of transformation. © 2011 Elsevier Ltd. All rights reserved.

Chemistry

Tetrahedron Letters

Diversity-oriented synthesis of amino acids using chiral enolates

Computational techniques are widely used in the chemoinformatics and bioinformatics. Most of the drugs produce their effect by interacting with the target molecules via different interactions. However, these interactions are tough to be calculated without use of robotics techniques. The potentials of these drugs depend upon their binding affinity. Due to huge number of such drugs, the measurement of their relative potency is a hard task. In present chapter the authors have discussed about some most common techniques which are widely used in bioinformatics and chemoinformatics. © 2012, IGI Global.

Advanced Methods and Applications in Chemoinformatics: Research Progress and New Applications

Computational techniques in binding affinity prediction of drugs

We present bounds on all the known universal extra dimension models from the latest Higgs search data at the Large Hadron Collider, taking into account the Kaluza-Klein (KK) loop effects on the dominant gluon-fusion production and on the diphoton/digluon decay. The lower bound on the KK scale is from 500GeV to 1TeV depending on the model. We find that the Higgs production cross section with subsequent diphoton decay can be enhanced by a factor 1.5 within this experimental bound, with little dependence on the Higgs mass in between 115GeV and 130GeV. We also show that in such a case the Higgs decay branching ratio into a diphoton final state can be suppressed by a factor 80%, which is marginally observable at a high energy/luminosity option at the International Linear Collider. The Higgs production cross section at a photon-photon collider can also be suppressed by a similar factor 90%, being well within the expected experimental reach.

International Workshop on Future Linear Colliders, LCWS 2011

Higgs at ILC in universal extra dimensions in light of recent LHC data

We demonstrate that the recent paper by Abhinav and Panigrahi entitled 'Supersymmetry, PT-symmetry and spectral bifurcation' [K. Abhinav, P.K. Panigrahi, Ann. Phys. 325 (2010) 1198], which considers two different types of superpotentials for the PT-symmetric complexified Scarf II potential, fails to take into account the invariance under the exchange of its coupling parameters. As a result, they miss the important point that for unbroken PT-symmetry this potential indeed has two series of real energy eigenvalues, to which one can associate two different superpotentials. This fact was first pointed out by the present authors during the study of complex potentials having a complex sl(2) potential algebra. © 2010 Elsevier Inc.

Annals of Physics

Comment on 'Supersymmetry, PT-symmetry and spectral bifurcation'

This paper presents an approach based on value and ambiguity indexes defined in [1] to solve linear programming problems with data as triangular intuitionistic fuzzy numbers. © 2011. The authors-Published by Atlantis Press.

Mathematics

Proceedings of the 7th Conference of the European Society for Fuzzy Logic and Technology, EUSFLAT 2011 and French Days on Fuzzy Logic and Applications, LFA 2011

Linear programming with triangular intuitionistic fuzzy number

We prove two new equivalences of the Feichtinger conjecture that involve reproducing kernel Hilbert spaces. We prove that if for every Hilbert space, contractively contained in the Hardy space, each Bessel sequence of normalized kernel functions can be partitioned into finitely many Riesz basic sequences, then a general bounded Bessel sequence in an arbitrary Hilbert space can be partitioned into finitely many Riesz basic sequences. In addition, we examine some of these spaces and prove that for these spaces bounded Bessel sequences of normalized kernel functions are finite unions of Riesz basic sequences.

Indiana University Mathematics Journal

The feichtinger conjecture and reproducing kernel hilbert spaces

We use conducting atomic force microscopy (AFM) in ultra high vacuum to measure the thermoelectric power of Au, Pt, and 3,4,9,10-perylene tetracarboxylic dianhydride (PTCDA) films. Tips coated with thick (1200 nm) Pt films or highly doped diamond film give reproducible data. The thermoelectric power of metal junctions formed with diamond tips is high but dominated by the diamond material thus making diamond tips of limited applicability in thermovoltage AFM. Pt coated tips on Au or Pt films gives small thermovoltage signal, making quantitative analysis of the thermopower on metal sample problematic. The thermovoltage AFM technique appears best suited to study organic thin films and the thermoelectric power of 1.5 nm and 2 nm thick PTCDA deposited on Au measured with Pt tips is -342 and -372 μV/K, respectively. The negative sign indicates that the lowest unoccupied molecular orbital level dominates electrical transport. © 2011 American Institute of Physics.

Journal of Applied Physics

Thermoelectric measurements using different tips in atomic force microscopy

We have investigated the photoluminescence and ultrafast dynamics of LaAlO3 crystal. The photoluminescence consists of a broad spectrum and two sharp peaks, which arise from various defect levels within the bandgap. A doublet splitting of roughly 6 nm is seen in these two sharp peaks. An Al displacement of 0.09 Å in a sublattice, which is possible because of twinning, is adequate to explain the spectral splitting. Femtosecond pump probe experiments reveal further that many of these defect levels have a few picosecond decay times while the lowest defect states have decay times longer than nanosecond to the valence band. © 2011 American Institute of Physics.

Applied Physics Letters

Defect dynamics and spectral observation of twinning in single crystalline LaAlO3 under subbandgap excitation

Anthracene monolayers covalently bound to hydrogen-terminated n-type Si(100) surfaces have been prepared from the attachment of an amine-substituted anthracene derivative to a preassembled acid-terminated alkyl monolayer using carbodiimide coupling. The anthracene headgroups were then used as anchoring sites for C60 following [4 + 2] Diels-Alder cycloaddition. After cycloaddition of C60 on the anthracene layer, the surface roughness determined by atomic force microscopy increased from 3.0 ± 0.7 to 5.0 ± 1.0 Å and the morphology showed uniformly distributed globular features a few nanometers high. Cyclic voltammograms of the anthracene-modified monolayer in the dark were characterized by an ill-defined reversible system at E°′ = -2.05 V vs saturated calomel electrode (SCE), which compares well with the value determined for the anthracene derivative in solution on a platinum electrode. Furthermore, the surface coverage of attached anthracene units was estimated to be (4.6 ± 0.3) × 10-10 mol cm-2, which is consistent with a densely packed monolayer. In contrast, the voltammogram of the C60-modified monolayer did not show multiple reversible one-electron transfers characteristic of the anthracene:C60 adduct. Instead, one irreversible cathodic peak at -1.50 V followed by a reversible system at -2.15 V was observed. These electrochemical differences between surface-confined and dissolved species are assigned to reduced charge transfer kinetics between the underlying semiconductor and bound C60 within a certain potential range. This hypothesis is consistent with the flat band potential Efb value of -0.80 ± 0.05 V vs SCE, determined from capacitance measurements. Moreover, scanning electrochemical microscopy (SECM) measurements in feedback mode provided clear evidence for the electroactive properties of bound C 60. The SECM approach curves suggest that both the anthracene and anthracene:C60 layers displayed good conductivity, presumably by electron hopping between adjacent redox sites. © 2011 American Chemical Society.