Rhodamine-based probes for metal ion-induced chromo-/fluorogenic dual signaling and their selectivity towards Hg(II) ion

The new signaling probes 2-6, rhodamine-B derivatives of various receptors which contain different donor atoms for effective metal ion coordination, were synthesized and their absorption as well as fluorescence spectral responses were evaluated in the presence of various metal ions. All these probes along with the reference probe 1 have exhibited optimal metal ion-induced absorption and fluorescence enhancement with Hg(II) ion in the longer wavelength region (>500 nm) in MeCN, exploiting the spectral characteristics of metal ion-induced structural transformation of rhodamine. The selectivity and sensitivity towards Hg(II) ion were better pronounced in MeCN-H(2)O (1 : 1 v/v) medium, implying the role of the solvent molecules, water in particular, in the preferential Hg(II) coordination environment. Complexation of Hg(II) to 1-6 not only enhanced the absorption at ~560 nm, which turned the colourless solution into pink to facilitate a naked eye detection, but also amplified the fluorescence intensity simultaneously to offer high sensitivity of detection at lower concentration. The Hg(II)-induced photo-physical spectral responses of 1-6 in presence of other competitive metal ions rendered their high selectivity towards Hg(II). Further, their reversible dual channel signaling pattern under the action of counter anions, exploiting coordination tendency of anions towards Hg(II), which compete with probe-metal interaction, implied the reversibility in their Hg(II) coordination. The selectivity, sensitivity and reversibility, in principle, establishes the potential of these probes as chemosensors for Hg(II) ion detection.     

Interplay of matrix element, self-energy and geometric effects in various spectroscopies of the cuprates

We discuss a comprehensive scheme for modeling various highly resolved spectroscopies of the cuprates where effects of matrix element, crystal structure, strong electron correlations, and superconductivity are included realistically in material-specific detail. A number of illustrative examples drawn from our recent work are presented. Specific issues in the cuprate physics considered are: (i) Origin of high-energy kink or the waterfall effect; (ii) Dichroic effects in angle-resolved photoemission spectrum; (iii) Asymmetry of the scanning tunneling spectrum between the processes of electron extraction and injection; (iv) Persistence of ‘Mott’ like high-energy features with doping in optical spectra; (v) Magnetic excitations in electron and hole doped cuprates.     

Texture based segmentation of epithelial layer from oral histological images

The objective of this paper is to provide a texture based segmentation algorithm for better delineation of the epithelial layer from histological images in discriminating normal and oral sub-mucous fibrosis (OSF). As per literature and oral clinicians, it is established that the OSF initially originates and propagates in the epithelial layer. So, more accurate segmentation of this layer is extremely important for a clinician to make a diagnostic decision. In doing this, Gabor based texture gradient is computed in gray scale images, followed by preprocessing of the microscopic images of oral histological sections. On the other hand, the color gradients of these images are obtained in the transformed Lab color space. Finally, the watershed segmentation is extended to segment the layer based on the combination of texture and color gradients. The segmented images are compared with the ground truth images provided by the oral experts. The segmentation results depict the superiority of the texture based segmentation in comparison to the Otsu's based segmentation in terms of misclassification error. Results are shown and discussed.     

Iodine-Methanol Induced Novel Fragmentation of Bicyclic Diones to Anisole Derivatives

The cyclic diones (1), (5), (8) and (11) on treatment with iodine and methanol underwent fragmentation yielding the anisole derivatives (4), (6), (9) and (12) respectively.     

Transition Metal Induced Conformational Change of Heme Proteins

Binding interaction of transition metals copper, cadmium, and mercury with heme proteins were explored using isothermal calorimetry. Consequent conformational changes of the native proteins analyzed by circular dichroic spectroscopy revealed differential structural alteration of heme proteins. But, significant distortion in myoglobin structure was noted due to bioconjugation with mercury whose greater ionic radius may be responsible for this preferential behavior.     

Generalized Kolbenstvedt model for electron impact ionization of K-, L- and M-shell atoms

The recently modified Kolbenstvedt (MKLV) model [Eur. Phys. J. D 37, 361 (2006)], developed for electron impact ionization (EII) of the K-shell atomic targets, has been extended to generalize its two parameters in terms of the electronic orbitals nl. The generalized MKLV (GKLV) with two sets of the species independent parameters for the same nl, one set for the ionization of inner orbits and another for the outermost orbit, is found profoundly successful in accounting for the EII cross section data of the K, L and M-shell neutral atoms with atomic numbers Z = 1-92 for the incident energies up to 1000 MeV in a consistent manner.     

Study of a periodically forced magnetohydrodynamic system using Floquet analysis and nonlinear Galerkin modelling

Nonlinear Dynamics - We present a detailed study of Rayleigh–Bénard magnetoconvection with periodic gravity modulation and uniform vertical magnetic field. Linear stability analysis is...     

Non-Darcy buoyancy driven flows in a fluid saturated porous medium: the use of asymptotic computational fluid dynamics (ACFD) approach

Natural convection in a fluid saturated porous medium has been numerically investigated using a generalized non-Darcy approach. The governing equations are solved by using Finite Volume approach. First order upwind scheme is employed for convective formulation and SIMPLE algorithm for pressure velocity coupling. Numerical results are presented to study the influence of parameters such as Rayleigh number (10⁶ ≤Ra ≤10⁸), Darcy number (10⁻⁵ ≤ Da ≤ 10⁻²), porosity (0.4 ≤ ɛ ≤ 0.9) and Prandtl number (0.01 ≤ Pr ≤ 10) on the flow behavior and heat transfer. By combining the method of matched asymptotic expansions with computational fluid dynamics (CFD), so called asymptotic computational fluid dynamics (ACFD) technique has been employed to generate correlation for average Nusselt number. The technique is found to be an attractive option for generating correlation and also in the analysis of natural convection in porous medium over a fairly wide range of parameters with fewer simulations for numerical solutions.