Photophysical study of naphthalenophanes: evidence of adduct formation with molecular oxygen

The photophysical properties of two atropisomeric naphthalenophanes (1 and 2) have been studied. Their structure only differs in the relative arrangement, syn (1) or anti (2), of the two aromatic units. The compounds emission is mainly excimeric and is strongly quenched in the presence of oxygen. Comparison of emission intensities obtained from steady state and from decay times provides clear evidence of the formation of ground state charge transfer complexes between oxygen and the naphthalenophanes 1 and 2. The calculated values for the association constants are on the order of 10(3) M(-1) (ethanol, room temperature) for both naphthalenophanes.     

Discovery of novel anti-HIV active G-quadruplex-forming oligonucleotides

A series of d((5')TGGGAG(3')) sequences, 5'-conjugated with a variety of aromatic groups through phosphodiester linkages, were synthesized, showing CD spectra diagnostic of parallel-stranded, tetramolecular G-quadruplex structures. When tested for anti-HIV-1 and HIV-2 activity, potent inhibition of HIV-1 infection in CEM cell cultures was found, associated with high selectivity index values. Surface Plasmon Resonance assays revealed specific binding to HIV-1 gp120 and gp41.     

Highly spectral dependent enhancement of upconversion emission with sputtered gold island films

We report a five-fold overall enhancement of upconversion emission in NaYF(4)?:?Yb/Er nanocrystals when coupled with gold island films. Spectroscopic studies show that the enhancement factors are highly dependent on the exact spectral positions and excitation power density, with a largest enhancement factor of more than 12 observed at selected spectral positions, which may be attributed to different upconversion processes involved.     

Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II

N-substituted benzenesulfonamides, incorporating the N-amino-, N-hydroxy- and N-methoxy-moieties at the sulfonamide zinc binding group, have been investigated as CAIs by means of inhibition and structural studies, unraveling interesting aspects related to their inhibition mechanism.     

Templated dynamic cryptophane formation in water

Several dynamic hexaimine cryptophanes, that are built up from two triformylcyclotribenzylene cavitands and three diamino linkers and spontaneously assemble in water in the presence of a suitable templating guest, are reported. X-ray structure, kinetics and thermodynamics of assembly and molecular recognition properties are discussed.     

Characterization and determination of the alkaloid metabolites of Evodiae fructus in rat urine by liquid chromatography-tandem mass spectrometry detection

The lack of authentic standards limits the quantitative analysis of herbal drugs in biological samples. This present work demonstrated a practicable assay of herbs and their metabolites independent of the availability of authentic standards. A liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) method for the qualitative and quantitative determination of the metabolites after oral administration of Evodiae fructus and Zuojinwan preparation in rat urine has been developed. Urine samples extracted with a protein precipitation procedure were separated on a C(18) column using a mixture of water (containing 0.1% formic acid) and acetonitrile (30:70, v/v) as mobile phase. The detection was performed by MS with electrospray ionization interface in positive selected reaction monitoring (SRM) mode. One urine sample after administration was selected as 'standard'. The method validation was carried out according to a conventional method that was calibrated by authentic standards. The fully validated method was applied to the pharmacokinetic study of the metabolites in rat urine. The results could provide evidence to explain the combination of Coptidis rhizoma and Evodiae fructus in terms of elimination.     

Electrochemical insertion of lithium in mechanochemically synthesized Zn2SnO4

We studied the electrochemical insertion of Li in mechanochemically prepared Zn(2)SnO(4). The mechanism of the electrochemical reaction was investigated by using X-ray diffraction, nuclear magnetic resonance spectroscopy, and M?ssbauer spectroscopy. Changes in the morphology of the Zn(2)SnO(4) particles were studied by in situ scanning electron microscopy. The results were compared with mixtures of SnO(2) + ZnO and with Zn(2)SnO(4) prepared by conventional solid-state synthesis and showed that the mechanochemically prepared Zn(2)SnO(4) exhibits the best cyclic stability of these samples.     

Analysis of Multiphase Non-Darcy Flow in Porous Media

Recent laboratory studies and analyses (Lai et al. Presented at the 2009 Rocky Mountain Petroleum Technology Conference, 14–16 April, Denver, CO, 2009) have shown that the Barree and Conway model is able to describe the entire range of relationships between flow rate and potential gradient from low- to high-flow rates through porous media. A Buckley and Leverett type analytical solution is derived for non-Darcy displacement of immiscible fluids in porous media, in which non-Darcy flow is described using the Barree and Conway model. The comparison between Forchheimer and Barree and Conway non-Darcy models is discussed. We also present a general mathematical and numerical model for incorporating the Barree and Conway model in a general reservoir simulator to simulate multiphase non-Darcy flow in porous media. As an application example, we use the analytical solution to verify the numerical solution for and to obtain some insight into one-dimensional non-Darcy displacement of two immiscible fluids with the Barree and Conway model. The results show how non-Darcy displacement is controlled not only by relative permeability, but also by non-Darcy coefficients, characteristic length, and injection rates. Overall, this study provides an analysis approach for modeling multiphase non-Darcy flow in reservoirs according to the Barree and Conway model.     

Aerodynamic unstable critical wind velocity for three-dimensional open cable-membrane structures

The aerodynamic unstable critical wind velocity for three-dimensional open cable-membrane structures is investigated. The geometric nonlinearity is introduced into the dynamic equilibrium equations of structures. The disturbances on the structural surface caused by the air flow are simulated by a vortex layer with infinite thickness in the structures. The unsteady Bernoulli equation and the circulation theorem are applied in order to express the aerodynamic pressure as the function of the vortex density. The vortex density is then obtained with the vortex lattice method considering the coupling boundary condition. From the analytical expressions of the unstable critical wind velocities, numerical results and some useful conclusions are obtained. It is found that the initial curvature of open cable-membrane structures has clear influence on the critical wind velocities of the structures.