Experimental determination of effective stimulated emission cross-section in a diode pumped Nd:YVO4 micro-laser at 1064 nm with various doping concentrations

A practical method is described and used for determination of the effective stimulated emission cross-section (σ_e) in an operating diode pumped Nd:YVO₄ micro-laser at 1064 nm with various doping concentrations. In this method a micro-laser is formed by keeping a small piece of the sample in a plane–plane resonator under semi-monolithic configuration and a fiber coupled diode laser (808 nm) was used for pumping. The pump power induced thermal lensing effect was used to make the cavity stable. In thermally stabilized solid-state lasers the cavity parameters change dynamically with the pump power and hence the overlap integrals become a function of the absorbed pump power. In our method the overlap integrals were estimated by measuring the thermal lens focal length at the threshold. The value of σ_e of Nd:YVO₄ crystal with different doping concentrations obtained by this method were in well agreement with the reported values.     

Main chain thermotropic liquid crystalline polyurethanes containing biphenyl mesogens based on novel AB‐type self‐polycondensation route: FT‐IR and XRD studies

The detailed mesophasic characterization of main chain liquid crystalline polyurethanes containing biphenyl mesogen, which were synthesized by the novel AB‐type self‐polycondensation approach, was carried out by using Differential Scanning Calorimetry (DSC), Polarized Optical Microscopy (POM), variable temperature X‐ray Diffraction (XRD), and Fourier Transform Infrared (FT‐IR) spectroscopic studies. The type of mesophase present in these polymers was identified to be the smectic A phase by POM and XRD studies. The smectic layer thickness was found to increase as the length of the spacer increased. The effect of temperature on the hydrogen bonding was analyzed by FT‐IR studies. The curve‐fitting analysis of the NH stretching and C?O stretching modes of vibrations indicated a gradual decrease in hydrogen bonding during the transition from the crystalline state to the mesophase. The mesophase to isotropic liquid transition was then accompanied by the complete disappearance of the hydrogen bonding. The biphenyl bands also showed changes during phase transitions due to the coupling of biphenyl vibration modes with the urethane linkage attached to it. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 1903–1912, 2005     

Simulation model for anomalous precession of the perihelion of mercury's orbit

The ‘anomalous perihelion precession’ of Mercury, announced by Le Verrier in 1859, was a highly controversial topic for more than half a century and invoked many alternative theories until 1916, when Einstein presented his theory of general relativity as an alternative theory of gravitation and showed perihelion precession to be one of its potential manifestations. As perihelion precession was a directly derived result of the full General Theory and not just the Equivalence Principle, Einstein viewed it as the most critical test of his theory. This paper presents the computed value of the anomalous perihelion precession of Mercury's orbit using a new relativistic simulation model that employs a simple transformation factor for mass and time, proposed in an earlier paper. This computed value compares well with the prediction of general relativity and is, also, in complete agreement with the observed value within its range of uncertainty. No general relativistic equations have been used for computing the results presented in this paper.     

An alternative approach to determine the fractional heat load in solid state laser materials: application to diode-pumped Nd:YVO4 laser

A simple approach is described and used for on-line measurement of the fractional heat-load parameter ξ in an operating diode-pumped Nd:YVO₄ laser at 1.06 μm wavelength for different doping concentrations. The method is based on the fact that if the thermo-optical properties of the sample are known then the ξ-parameter can be estimated from the measured effective focal length induced by the pump beam and any other lensing effect due to mechanical mounting of the sample for a given pumping configuration. The value of the fractional heat-load parameter estimated by our technique was in excellent agreement with the earlier reported values.     

Synthesis,spectral, crystal structure,drug-likeness,in silico,and in vitro biological screening of halogen [Cl,Br] substituted N-phenylbenzo[g]indazole derivatives as antimicrobial agents

The N-phenylbenzo[g]indazole derivatives, 3-(4-chlorophenyl)-3,3a,4,5-tetrahydro-N-phenylbenzo[g]indazole-2-carbothioamide (4CLPBIC), 3-(4-bromophenyl)-3,3a,4,5-tetrahydro-N-phenylbenzo[g]indazole-2-carbothioamide (4BRPBIC), and 3-(3-bromophenyl)-3,3a,4,5-tetrahydro-N-phenylbenzo[g]indazole-2-carbothioamide (3BRPBIC), were synthesized by the one-pot green amalgamation of solvent-free granulating methodology procedure at room temperature. The synthesized crystals were characterized by single-crystal X-ray diffraction (SC-XRD), FT-IR, FT-Raman, NMR, and UV–Vis techniques. The molecular geometries from XRD experimental values of synthesized compounds 4CLPBIC, 4BRPBIC, and 3BRPBIC in the ground state are compared theoretically by applying the density functional theory (DFT), a method with the B3LYP/6-311G(d,p) basis set using Gaussian 09 software. The vibrational assignments of the synthesized compounds were studied based on potential energy distribution (PED) by the VEDA4 program. The scaled DFT/B3LYP/6-311G(d,p) results show the best agreement with the experimental values. Computational ¹H and ¹³C NMR were acquired by utilizing gauge-independent atomic orbital (GIAO) procedure, and chemical shift results are in good agreement with the experimental values. A web-based theoretical investigation was performed to understand the drug-likeness and ADMET properties of the compounds. Molecular docking studies were carried out against bacterial cholesterol inhibitor block and inhibitor of lanosterol-14α-demethylase CYP51 used in the treatment of topical and systemic mycoses in fungal to understand the inhibitory activity of synthesized compounds. The synthesized molecules were also tested for antibacterial and antifungal activities.     

Synthesis,structural, DFT investigations and antibacterial activity assessment of pyrazoline-thiocyanatoethanone derivatives as thymidylate kinase inhibitors

Two novel compounds 1-(5-[4-fluorophenyl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-thiocyanatoethanone (FSCN) and 1-(5-[4-chlorophenyl]-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-thiocyanatoethanone (ClSCN) were synthesized and characterized by SC-XRD, 1H NMR, 13C NMR, FTIR, and UV methods. The X-ray diffraction studies were utilized to prove the 3D crystal structures of FSCN and ClSCN. In both the compounds, the packing is mostly driven by C H⋯N, C H⋯O, and C H⋯π (benzene ring as an acceptor) interactions. In ClSCN, additionally, the π⋯π interaction is observed between the pyrazole ring of one molecule and the benzene ring of the other molecule. The experimental values were compared with the results of DFT/B3LYP/6-311G++(d,p) theoretical computations. The pharmacological screening for FSCN and ClSCN was performed using molinspiration and PreADMET web server. To analyze antibacterial inhibition of the synthesized ligands and Ciprofloxacin (control drug) were interacted with antibacterial protein Thymidylate Kinase (TMK) (PDB ID: 4QGG) with the help of AutoDock Vina tool. The ADMET and docking results of FSCN and ClSCN pointed out the better drug likeness nature and good inhibition behavior with TMK protein. The antibacterial in vitro studies suggested that FSCN compound inhibited well with antibacterial strains than that of ClSCN. The current investigation suggests that with further improvements, our compounds could be preferred as substitute medicine for bacterial diseases.     

Influence of Nd:YAG laser irradiation on AC impedance and dielectric properties of lithium ferrite

Polycrystalline samples of Li_0.5Fe_2.5O₄ spinel ferrite have been synthesized by a standard ceramic technique. The samples were irradiated with an Nd:YAG laser to study the effect of laser irradiation on the structural, dielectric and AC impedance properties. The X-ray diffraction results show the formation of a disordered cubic structure after irradiation. The dielectric constant (?′), dielectric loss (?″) and the loss tangent (tan δ ) were measured at room temperature as a function of frequency (f=20 Hz–1 MHz) for the irradiated and unirradiated samples of Li_0.5Fe_2.5O₄ spinel ferrite. The dielectric constant of the irradiated samples is decreased in magnitude compared to the unirradiated samples. It was found that laser irradiation increases the polarization and the resistivity of the samples as a result of electronic rearrangement and lattice defects. The AC conductivity of the samples was derived from the dielectric constant and loss tangent data. The change in AC conductivity is attributed to the creation of lattice vacancies after laser irradiation. The AC impedance analysis was used to separate the grain and grain boundary of the Li_0.5Fe_2.5O₄ spinel ferrite.