Slotted microcavity ring resonators for optical storage applications

In this paper, slotted microcavity ring resonators based optical storage devices are proposed and analyzed by means of multiresolution time domain technique. The effect of the structure geometrical parameters on the coupling efficiency, normalized transmission spectra and quality factor has been thoroughly investigated and compared to that of the conventional no-slot microring resonator. The suggested slotted configurations increase the quality factor at a fixed gap size between the central ring and input/output waveguides. In addition, the desired compromise between the coupling efficiency and resonance effect inside the ring can be achieved by mere optimization of the slot geometrical characteristics.     

Spectral approximation in L(H)

We introduce the concept of numerical range approximant which is related to that of a spectral approximant. We obtain a variant of Bouldin result on spectral approximation of normal operators [3] and an analogous result for numerical range approximation . We also extend Maher's result on partially isometric approximation [9] and Halmos' on positive approximation [6].     

Simultaneous Determination of Naproxen and Diflunisal using Synchronous Luminescence Spectrometry

Binary mixtures of naproxen and diflunisal can be resolved by using zero-crossing first derivative emission spectrofluorimetry, first derivative constant wavelength synchronous luminescence spectrometry and first derivative constant energy synchronous luminescence spectrometry. These methods do not require any previous separation steps. The lowest quantitation limits for both drugs were obtained with first derivative constant wavelength synchronous luminescence spectrometry (0.002 and 0.015 μg ml⁻¹ for naproxen and diflunisal, respectively). The measurements were performed in 40% methanolic aqueous medium at pH 8.0 provided by adding 0.02 M phosphate buffer solution. The proposed methods were successfully applied to the simultaneous determination of naproxen and diflunisal in pharmaceuticals and human serum samples with high precision and accuracy. Linearity, accuracy, precision, limits of detection, limits of quantitation, and other aspects of analytical validation are included in the text.     

Influence of Amide Connectivity on the Hydrogen-Bond-Directed Self-Assembly of [n.n]Paracyclophanes

Reported here is the synthesis and self-assembly characterization of [n.n]paracyclophanes ( [n.n]pCps , n=2, 3) equipped with anilide hydrogen bonding units. These molecules differ from previous self-assembling [n.n]paracyclophanes ( [n.n]pCps ) in the connectivity of their amide hydrogen bonding units (C-centered/carboxamide vs. N-centered/anilide). This subtle change results in a ≈30-fold increase in the elongation constant for the [2.2]pCp -4,7,12,15-tetraanilide ( [2.2]pCpNTA ) compared to previously reported [2.2]pCp -4,7,12,15-tetracarboxamide ( [2.2]pCpTA ), and a ≈300-fold increase in the elongation constant for the [3.3]pCp -5,8,14,17-tetraanilide ( [3.3]pCpNTA ) compared to previously reported [3.3]pCp -5,8,14,17-tetracarboxamide ( [3.3]pCpTA ). The [n.n]pCpNTA monomers also represent the reversal of a previously reported trend in solution-phase assembly strength when comparing [2.2]pCpTA and [3.3]pCpTA monomers. The origins of the assembly differences are geometric changes in the association between [n.n]pCpNTA monomers—revealed by computations and X-ray crystallography—resulting in a more favorable slipped stacking of the intermolecular π-surfaces ( [n.n]pCpNTA vs. [n.n]pCpTA ), and a more complementary H-bonding geometry ( [3.3]pCpNTA vs. [2.2]pCpNTA ).     

Graphene to graphite; a layer by layer experimental measurements and density function theory calculations of electric conductivity

ABSTRACT

We measured the electric conductivity of large (25?×?50?mm) graphene films as a function of number of layers in the range of 1–20 layers. We also calculated the energy gap for such samples using density function theory. Our results showed a conductivity slightly above that of ITO for monolayer graphene and an exponential decrease as the number of graphene layers increased. Both experimental and simulation results showed a convergence of graphene into graphite at as little as 18–20 layers.     

One-pot synthesis,spectroscopic characterization and DFT study of novel 8-azacoumarin derivatives as eco-friendly insecticidal agents

A series of sixteen 8-azacoumarin derivatives bearing aryl moieties at C-5 and C-7 was designed and synthesized by a concise and facile procedure utilizing grinding and ultrasound approaches. The efficient multi-component protocols proceeded smoothly and in the absence of solvent to furnish the target products in moderate to good yields. All the synthesized molecules were characterized via ¹HNMR, ¹³CNMR, IR, mass spectra, and elemental analyses. The density functional theory (DFT) was then used to discover the structural and electronic characteristics of such compounds. Finally, an insecticidal study against Plutella xylostella and Helicoverpa armigera on the synthesized compounds is reported. The bioassay results indicated that some of the tested compounds showed potency ranging from good to moderate. In particular, analogs 6i and 6l, among the tested compounds, showed even more potency than commercial chlorpyrifos. On the other hand, the rest of the tested compounds showed moderate to weak activities.     

Total structure determination of grassypeptolide, a new marine cyanobacterial cytotoxin

A collection of the cyanobacterium Lyngbya confervoides off Grassy Key in Florida yielded grassypeptolide (1), a 31-membered macrocyclic depsipeptide with unusually high D-amino acid content, two thiazolines, and one beta-amino acid. We report the rigorous 3D structure determination and conformational analysis in solution and solid state by NMR, MS, X-ray crystallography, chemical degradation, and molecular modeling involving distance geometry and restrained molecular dynamics. Grassypeptolide (1) inhibited cancer cell growth with IC50 values from 1.0 to 4.2 microM.