Synthesis and anti‐HIV activity of new 2‐thiolumazine and 2‐thiouracil metal complexes

A series of new Cu(II), Pt(II), VO(II), Fe(II), and Co(II) complexes ( 1‐‐5 ) with 3‐methyl‐6,7‐diphenyllumazine are described. Similarly, complexes from 2‐thiouracil with Cu(II) ( 6,7 ) and Pt(II) ( 8 ) have been prepared and characterized by spectroscopic methods. All the complexes were assayed for their anti‐HIV‐1 and HIV‐2 activity by examination of their inhibition of HIV‐induced cytopathogenicity in MT‐4 cells. Compound 3 was found to be the most active inhibitor against HIV‐2 in cell culture (EC₅₀ = >18.9 μ g/mL, selectivity index (SI) = 3), which provided a good lead for further optimization. Compounds 6 and 7 exhibited some activity (EC₅₀ = >7.12 μ g/mL and >2.23 μ g/mL) against HIV‐1 and HIV‐2, but no selectivity was observed (SI <1). © 2010 Wiley Periodicals, Inc. Heteroatom Chem 22:44–50, 2011; View this article online at wileyonlinelibrary.com . DOI 10.1002/hc.20654     

Embedding optimization in computational science workflows

Workflows support the automation of scientific processes, providing mechanisms that underpin modern computational science. They facilitate access to remote instruments, databases and parallel and distributed computers. Importantly, they allow software pipelines that perform multiple complex simulations (leveraging distributed platforms), with one simulation driving another. Such an environment is ideal for computational science experiments that require the evaluation of a range of different scenarios “in silico” in an attempt to find ones that optimize a particular outcome. However, in general, existing workflow tools do not incorporate optimization algorithms, and thus whilst users can specify simulation pipelines, they need to invoke the workflow as a stand-alone computation within an external optimization tool. Moreover, many existing workflow engines do not leverage parallel and distributed computers, making them unsuitable for executing computational science simulations. To solve this problem, we have developed a methodology for integrating optimization algorithms directly into workflows. We implement a range of generic actors for an existing workflow system called Kepler, and discuss how they can be combined in flexible ways to support various different design strategies. We illustrate the system by applying it to an existing bio-engineering design problem running on a Grid of distributed clusters.     

Mössbauer study of Zn x Ni5/3−x Fe1Sb1/3O4 spinel ferrite

The antimony substituted nickel ferrite Zn_xNi_5/3–xFe₁Sb_1/3O₄ with different values ofx are prepared, checked by x-ray and studied with⁵⁷Fe Mössbauer spectroscopy over a wide temperature range. Characteristic spectra of paramagnetic, magnetic and electronic relaxation types for the different compositions have been observed. The interpretation of the spectra allows the cation distribution of the compounds to be deduced. The Mössbauer effect parameters at different temperatures are calculated and their dependence on the substitution of non-magnetic Zn⁺² for the magnetic nickel ions are discussed. The temperature dependence of the hyperfine magnetic fields and the respective Néel temperature points are obtained.     

Optimal excess noise reduction in thin heterojunction Al/sub 0.6/Ga/sub 0.4/As-GaAs avalanche photodiodes

It has been recently found that the initial-energy effect, which is associated with the finite initial energy of carriers entering the multiplication region of an avalanche photodiode (APD), can be tailored to reduce the excess noise well beyond the previously known limits for thin APDs. However, the control of the initial energy of injected carriers can be difficult in practice for an APD with a single multiplication layer. In this paper, the dead-space multiplication recurrence theory is used to show that the low noise characteristics associated with the initial-energy effect can be achieved by utilizing a two-layer multiplication region. As an example, a high bandgap Al/sub 0.6/Ga/sub 0.4/As material, termed the energy-buildup layer, is used to elevate the energy of injected carriers without incurring significant multiplication events, while a second GaAs layer with a lower bandgap energy is used as the primary carrier multiplication layer. Computations show that devices can be optimally designed through judicious choice of the charge-layer width to produce excess noise factor levels that are comparable to those corresponding to homojunction APDs benefiting from a maximal initial-energy effect. A structure is presented to achieve precisely that.     

Beyond cost models: communications satellite revenue models. Integrating cost considerations into a value‐centric mindset

While satellite cost models are pervasive throughout the aerospace industry, revenue models or utility models of space systems are quasi‐inexistent. This situation perhaps conveys the false impression that satellites are either cost sinks or expensive artefacts whose value or utility profile over their design lifetime is difficult to quantify. In this paper, we propose that satellites, like any other complex engineering systems, should be perceived as value delivery artefacts, and the value delivered, or the flow of service that the spacecraft delivers over its design lifetime, deserves as much effort to quantify as the system's cost. To this effect, we build, in the case of a GEO communications satellite, revenue models based on (1) statistical analyses of spacecraft loading dynamics and (2) historical trends of market prices for the communications services provided. Results and discussions presented here should prove useful to satellite operators and industry observers. Copyright © 2006 John Wiley & Sons, Ltd.     

Some spectrophotometric methods for determination of certain antipyretic and antirheumatic drugs

Heating paracetamol in strongly alkaline medium with 4-nitrosoantipyrine gives a red colour with maximum absorption at 515 nm. Mefenamic and flufenamic acids can be determined colorimetrically after extraction as ion-pairs with Methylene Blue.     

Quadratic spherical bessel functions and the inverse scattering problem

In the course of inverting the partial-wave Born approximation, a new expression for the inverse function ofj _l ² (ρ) was obtained. Using this result, one can also derive two expressions involving the binomial coefficients. Finally, a particular differential operator whose effect onj _l ² (ρ) was previously investigated by Mavromatis and Jalal is shown to have similar effects onn _l ² (ρ) andn _l (ρ)j _l (ρ).     

Binary image synthesis using mixed linear integer programming

Images that are to be transmitted through a distorting imaging system may be deliberately altered to compensate for that distortion. The authors consider an incoherent diffraction-limited imaging system followed by an ideal high-contrast detector that prints binary images, and seek a binary input image (a mask) that generates a desired prescribed binary output image. They have developed a method for determining the optimal binary mask by formulating the problem as a mixed linear integer program (MLIP) and using the branch and bound method to solve it.