Synthesis and pharmacological properties of polysubstituted 2-amino-4H-pyran-3-carbonitrile derivatives

Molecular Diversity - 2-Amino-3-cyano-4H-chromenes are structural core motifs that received increasing attention in the last years due to their interesting potential pharmacological properties. In...     

Terahertz bandpass filters using double-stacked metamaterial layers

Bandpass filters are reported based on double-stacked metamaterial layers separated by an air gap for operation at terahertz frequencies. Several stacking configurations were investigated designed for a ~0.5 THz center frequency. The filters exhibited improved spectral transmission properties when compared with conventional ones based on single metamaterial layers. 3 dB bandwidth of ~78 GHz and sidelobe suppression ratio >16 dB were determined when symmetric or asymmetric double layers were stacked. We demonstrate that superior frequency selectivity can be achieved when metamaterial layers with different unit cells are used. Good agreement was found between measured and simulated transmission response.     

Electromagnetic fields near plasmonic wedges

The behavior of electromagnetic fields near the edge of a plasmonic wedge is investigated. We study the scattering properties, field divergence, and field enhancement near an Au wedge bounded by SiO2 upon illumination by TM-polarized light using hypersingular integral equations, as a function of wavelength, wedge angle, and angle of incidence. The transverse scattered field components show a convergent behavior at wavelengths approaching the surface plasmon energy asymptote (on the corresponding flat Au-SiO2 interface), and become strongly divergent at longer wavelengths. The computed divergence is compared with Meixner's theory and is found to be in good agreement over a restricted range of parameters.     

First principles investigations of hydrazine adsorption conformations on Ni(111) surface

Theoretical investigation on hydrazine (N₂H₄) adsorption on Ni(111) was done by using density functional theory. Stability and mechanism of hydrazine adsorption in anti, gauche and cis conformation on nickel surface were studied. Charge transfer between lone-pair orbital and d-band was found to stabilize the anti-conformation as the most stable conformation, in contrast with hydrazine in the gas-phase where gauche conformation is more favored. However, the derived anti-bonding state between adsorbate and substrate is partially occupied due to the spin-polarization in the local states near the Fermi level and thus contributes in weakening the bonding. The stable adsorption structure was further verified by comparing the calculated vibrational frequencies with HREELS measurement results. The results were found to be in agreement with experimental results. It was also found that the adsorption in cis-conformation is a transition state as evident from the existence of imaginary frequency on its lowest vibrational mode which belongs to NH₂ torsional movement around N–N axis.     

Scale-dependent effects on wave propagation in magnetically affected single/double-layered compositionally graded nanosize beams

This article deals with the wave propagation analysis of single/double layered functionally graded (FG) size-dependent nanobeams in elastic medium and subjected to a longitudinal magnetic field employing nonlocal elasticity theory. Material properties of nanobeam change gradually according to the sigmoid function. Applying an analytical solution, the acoustical and optical dispersion relations are explored for various wave number, nonlocality parameter, material composition, elastic foundation constants, and magnetic field intensity. It is found that frequency and phase velocity of waves propagating in S-FGM nanobeam are significantly affected by these parameters. Also, presence of cut-off and escape frequencies in wave propagation analysis of embedded S-FGM nanobeams is investigated.     

Phase-controlled atom-photon entanglement in a three-level Λ-type closed-loop atomic system

We study the entanglement of dressed atom and its spontaneous emission in a three-level Λ-type closed-loop atomic system in a multi-photon resonance condition and beyond it.It is shown that the von Neumann entropy in such a system is phase-dependent,and it can be controlled by either the intensity or relative phase of applied fields.It is demonstrated that for the special case of the Rabi frequency of applied fields,the system is disentangled.In addition,we take into account the effect of Doppler broadening on the entanglement and it is found that a suitable choice of laser propagation direction allows us to obtain the steady state degree of entanglement(DEM) even in the presence of the Doppler effect.     

Simplified SCF calculations on the diatomic alkali metal molecules

An account is given of a new formalism for calculating energy levels in molecules using techniques that derive from the band theory of metals. After showing how the molecular potential may be transformed into a cellular potential we define the basis set of muffin-tin orbitals and discuss some of their properties. The relationship between the scattered wave formulation of Johnson, which is restricted to muffin-tin potentials, and our more general approach based on the use of a linear combination of muffin-tin orbitals (L.C.M.T.O.) is explicitly indicated. We then show how the properties of the muffin-tin orbitals, together with the technique of cellular integration, give rise to a hamiltonian matrix. This matrix is as general as, but simpler than that obtained by the use of atomic orbitals, and it is linear in energy and therefore computationally faster than the secular matrix of the scattered wave method.     

Skin layer detection of optical coherence tomography images

In this paper, we present an image processing algorithm to automatically and more precisely detect the boundary between the main skin layers: stratum corneum, epidermis, and dermis. The aim of the proposed skin layer detection algorithm is to assist the dermatologists to measure the epidermal thickness (ET) for skin diseases diagnosis and also to assist pharmacologists so that they can make a better decision for prescribing according to the advancement of the skin disorders characterized with ET change.     

Simultaneous Determination of Acetylsalicylic Acid and Caffeine in Pharmaceutical Formulation by First Derivative Synchronous Fluorimetric Method

A sensitive, rapid, and specific assay has been developed for the simultaneous determination of acetylsalicylic acid and caffeine in commercial tablets based on their natural fluorescence. The mixture of these drugs was resolved by first derivative synchronous fluorimetric technique using two scans. At Δλ=106 nm, using first derivative synchronous scanning, only acetylsalicylic acid yields a detectable signal at 316 nm (peak to zero method) which is unaffected by caffeine. At Δλ=30 nm, the signal of caffeine at 288 nm (peak to zero method) is not affected by acetylsalicylic acid. The range of application is between 0.021 and 41.62 μg ml⁻¹ (correlation coefficient, R=0.9995) for acetylsalicylic acid and between 0.4486 and 44.86 μg ml⁻¹ (correlation coefficient, R=0.99786) for caffeine. The recovery range of 98.40–102% for acetylsalicylic acid and 90–100.5% for caffeine from their synthetic mixture was reported. Overall recovery of both compounds about 97–99% for acetylsalicylic acid and 97–98% for caffeine was obtained from real sample analysis. The detection limits are 0.0013 μg ml⁻¹ and 0.0306 μg ml⁻¹ for acetylsalicylic acid and caffeine, respectively. The relative standard deviation (n=10) for 20 μg ml⁻¹ of acetylsalicylic acid is 2.75% and for 2.2 μg ml⁻¹of caffeine is 1.7%.     

Photocatalytic properties of Ta-doped TiO2

Ionics - This work reports the effect of tantalum (0.1–1 at.% Ta) on the photocatalytic performance of TiO2 annealed at 1373 and 1673 K in air. It was shown that addition of...