Spectroscopic,Computational, Antimicrobial,DNA Interaction,In Vitro Anticancer and Molecular Docking Properties of Biochemically Active Cu(II) and Zn(II) Complexes of Pyrimidine-Ligand

Biochemically active Cu(II) and Zn(II) complexes [CuL(ClO₄)₂(1) and ZnL(ClO₄)₂(2)] have been synthesized from N,N donor Schiff base ligand L derived from4,6-dichloropyrimdine-5-carboxaldehyde with 4-(2-aminoethyl)morpholine. The L, complexes 1 and 2 have been structurally characterized by elemental analysis, ¹H-NMR, FTIR, MS, UV-Visible and ESR techniques. The results obtained from the spectral studies supports the complexes 1 and 2 are coordinated with L through square planar geometry. DFT calculations results supports, the ligand to metal charge transfer mechanism can occur between L and metal(II) ions. The antimicrobial efficacy results have been recommended that, complexes 1 and 2 are good anti-pathogenic agents than ligand L. The interaction of complexes 1 and 2 with calf thymus (CT) DNA has been studied by electronic absorption, viscometric, fluorometric and cyclic voltammetric measurements. The calculated K_b values for L, complexes 1 and 2 found from absorption titrations was 4.45?×?10⁴, L; 1.92?×?10⁵, 1 and 1.65?×?10⁵, 2. The Ksv values were found to be 3.0?×?10³, 3.68?×?10³and 3.52?×?10³ for L, complexes 1 and 2 by using competitive binding with ethidium bromide (EB). These results suggest that, the compounds are interacted with DNA may be electrostatic binding. The molecular docking studies have been carried out to confirm the interaction of compounds with DNA. Consequently, in vitro anticancer activities of L, complexes 1 and 2 against selected cancer (lung cancer A549, liver cancer HepG2 and cervical carcinoma HeLa) and normal (NHDF) cell lines were assessed by MTT assay.     

Bianchi Type III Bulk Viscous Barotropic Fluid Cosmological Models with Variable G and Λ

Bianchi type-Ⅲ bulk viscous barotropic fluid cosmological model with variables G and A is investigated. To obtain the realistic model, we assume the conditions between the metric potentials A, B, C as A/A = B/B = m1/t^N and C/C = m2/t^n, P = p - 3ηH, η =ηop^s, p=γρ, 0 ≤ γ ≤ 1, where p is isotropic pressure,η the coefficient of bulk viscosity, η0 and S the constants, H the Hubble constant, m1 = 2m2 where m1 〉 0, m2 〉 O. The solutions obtained lead to inflationary phase and the results obtained match with the observations. The case n = 1 for S = 1 is also discussed, relating the results with the observations.     

Bianchi Type V Barotropic Perfect Fluid Cosmological Model in Lyra Geometry

We have investigated Bianchi Type V barotropic perfect fluid cosmological model in Lyra geometry. To get the deterministic model of the universe, we have assumed the barotropic perfect fluid condition p=γ ρ, 0≤γ≤1 and energy conservation equation i.e. T _i;j ^j =0. The physical and geometrical aspects of the model are discussed. The special cases for γ=1 (stiff fluid distribution), γ=0 (dust distribution), γ=1/3 (disordered radiation) are also discussed.     

ZnO and ZnS Nanostructures: Ultraviolet-Light Emitters,Lasers, and Sensors

ZnO and ZnS, well-known direct bandgap II–VI semiconductors, are promising materials for photonic, optical, and electronic devices. Nanostructured materials have lent a leading edge to the next generation technology due to their distinguished performance and efficiency for device fabrication. As two of the most suitable materials with size- and dimensionality-dependent functional properties, wide bandgap semiconducting ZnO and ZnS nanostructures have attracted particular attention in recent years. For example, both materials have been assembled into nanometer-scale visible-light-blind ultraviolet (UV) light sensors with high sensitivity and selectivity, in addition to other applications such as field emitters and lasers. Their high-performance characteristics are particularly due to the high surface-to-volume ratios (SVR) and rationally designed surfaces. This article provides a comprehensive review of the state-of-the-art research activities in ZnO and ZnS nanostructures, including their syntheses and potential applications, with an emphasis on one-dimensional (1D) ZnO and ZnS nanostructure-based UV light emissions, lasers, and sensors. We begin with a survey of nanostructures, fundamental properties of ZnO and ZnS, and UV radiation–based applications. This is followed by detailed discussions on the recent progress of their synthesis, UV light emissions, lasers, and sensors. Additionally, developments of ZnS/ZnO composite nanostructures, including core/shell and heterostructures, are discussed and their novel optical properties are reviewed. Finally, we conclude this review with the perspectives and outlook on the future developments in this area. This review explores the possible influences of research breakthroughs of ZnO and ZnS nanostructures on the current and future applications for UV light–based lasers and sensors.     

Growth and characterization of a pure and doped nonlinear optical l-histidine acetate single crystals

Single crystals of pure, Cu²⁺and Mg²⁺ doped l-histidine acetate (LHA) were grown successfully by slow evaporation technique. The X-ray diffraction (XRD) studies were carried out for the pure and doped grown crystals. Absorption of these grown crystals was analyzed using UV-vis-NIR studies, and it was found that these crystals possess minimum absorption from 200 nm to 1500 nm. The pure and doped crystals are characterized by Fourier transform Raman (FT-Raman), thermal and photoconductivity studies. Vickers microhardness tests were carried out for the pure and doped crystals and the mechanical strengths were found. The dielectric constant and the dielectric loss with frequency were also studied.     

Modular networks with hierarchical organization: The dynamical implications of complex structure

Several networks occurring in real life have modular structures that are arranged in a hierarchical fashion. In this paper, we have proposed a model for such networks, using a stochastic generation method. Using this model we show that, the scaling relation between the clustering and degree of the nodes is not a necessary property of hierarchical modular networks, as had previously been suggested on the basis of a deterministically constructed model. We also look at dynamics on such networks, in particular, the stability of equilibria of network dynamics and of synchronized activity in the network. For both of these, we find that, increasing modularity or the number of hierarchical levels tends to increase the probability of instability. As both hierarchy and modularity are seen in natural systems, which necessarily have to be robust against environmental fluctuations, we conclude that additional constraints are necessary for the emergence of hierarchical structure, similar to the occurrence of modularity through multi-constraint optimization as shown by us previously.      

Phase transitions in liquid crystal 6O.4 (p-<Emphasis Type="Italic">n</Emphasis>-hexyloxybenzylidine-p′-<Emphasis Type="Italic">n</Emphasis>-butylaniline)

DSC measurements on p-n-hexyloxybenzylidine-p′-n-butylaniline (6O.4) showed that the crystalline to liquid crystalline (K-S _H) transition at 33.7°C observed in the heating cycle does not revert even when the sample is cooled down to −100°C. Hence it is inferred that a physically stable supercooled liquid crystalline phase is formed on cooling 6O.4. To investigate the K-S _H transition further the techniques of polarized microscopy and X-ray diffraction were used which concurred with the DSC results. Quasielastic neutron scattering measurements carried out to study the re-orientational motions in the ordered phases of 6O.4 (K and S _H) show that while in the crystalline phase (at RT) the re-orientational motion is found to involve only the core of the molecule, in the S _H phase (at 45°C) the dynamics involves the whole molecule and this motion is found to persist even when the sample cools back to room temperature corroborating the results of the DSC, microscopy and X-ray diffraction.