Enhanced optical oxygen sensing using a newly synthesized ruthenium complex together with oxygen carriers

In this article, an emission based, simple and fast method is proposed for the determination of gaseous oxygen. A newly synthesized fluorophore, dichloro-{2,6-bis[1-(4-dimethylamino-phenylimino) ethyl]pyridine}ruthenium(II) has been used for oxygen sensing together with oxygen carrier perfluorochemicals (PFCs) in silicon matrix. It should be noted that the solubility of oxygen in fluorocarbons is about three to ten times large as that observed in the parent hydrocarbons or in water, respectively. Employed PFCs are chemically and biochemically inert, have high dissolution capacities for oxygen, and, once doped into sensing film, considerably enhance the response of sensing agent.     

Design and characterization of Bodipy derivatives for bulk heterojunction solar cells

Two electron rich Bodipy dyes with strong absorptivities in the visible region were designed and synthesized as potential electron donors in bulk heterojunction photovoltaic constructs. Overall efficiency is above 1%, with impressive responsiveness at both UV and near-IR ends of the visible spectrum. Computational studies reveal an unexpected effect of meso-substituents on the electron transfer efficiency.     

An ab initio investigation of the O(3P)-H2(1sigma(g)+) van der Waals well

We report an ab initio study of the van der Waals region of the O(3P)-H2 potential energy surface based on RCCSD(T) calculations with an aug-cc-pVQZ basis supplemented by bond functions. In addition, an open-shell implementation of symmetry-adapted perturbation theory (SAPT) is used to corroborate the RCCSD(T) calculations and to investigate the relative magnitudes of the various contributions to the van der Waals interaction. We also investigate the effect of the spin-orbit coupling on the position and depth of the van der Waals well. We predict the van der Waals minimum to occur in perpendicular geometry, and located at a closer distance than a secondary well in colinear geometry. The potentials obtained in the present study confirm the previous calculations of Alexander [M. H. Alexander, J. Chem. Phys., 1998, 108, 4467], but disagree with the earlier work of Harding and co-workers [Z. Li, V. A. Apkarian and L. B. Harding, J. Chem. Phys., 1997, 106, 942] as well as with recently refitted surfaces of Brand?o and coworkers [J. Brand?o, C. Mogo and B. C. Silva, J. Chem. Phys., 2004, 121, 8861]. Inclusion of spin-orbit coupling reduces the depth of the van der Waals minimum without causing a change in its position.     

The ν9 Band of Propyne-d3

A high-resolution Fourier transform spectrum of the ν₉ band of CD₃CCH has been recorded at an apodized resolution of 0.004 cm−1 and analyzed. More than 1700 lines in the spectrum have been assigned and the parameters of the ν₉ state derived. The standard deviation of the fit was 0.00034 cm⁻¹. In order to achieve this fit it was necessary to include l-type doubling interaction and Fermi resonance between ν₉ and the E component of 2ν₁₀.     

An efficient microwave-assisted synthesis of novel quinolone–triazole and conazole–triazole hybrid derivatives as antimicrobial and anticancer agents

1,2,4-Triazole-fluoroquinolone and 1,2,4-triazole–conazole hybrids are designed, synthesized, and investigated in vitro against a variety of common diseases. The structure of the newly synthesized compounds are characterized from spectral data (IR, ¹H NMR, ¹³C NMR, and LC–MS). The antibacterial activity against both Gram-positive and Gram-negative bacteria is shown to be enhanced by many of the produced compounds. Also, some of the products are found to have strong antiproliferative effects aganist HeLa cervical cancer cells, whilst demonstrating cytotoxic effects toward normal cells.     

Entrywise perturbation theory for diagonally dominant M-matrices with applications

Summary. This paper introduces a new perspective on the study of computational problems related to diagonally dominant M-matrices by establishing some new entrywise perturbation results. If a diagonally dominant M-matrix is perturbed in a way that each off-diagonal entry and its row sums (i.e. the quantities of diagonal dominance) have small relative errors, we show that its determinant, cofactors, each entry of the inverse and the smallest eigenvalue all have small relative errors. The error bounds are given and they do not depend on any condition number. Applying this result to the studies of electrical circuits and tail probabilities of a queue whose embedded Markov chains is of GI/M/1 type, we discuss the relative sensitivity of the operating speed of circuits and of the percentile of the queue length, respectively. Received January 17, 2000 / Published online June 7, 2001