Aryl Bis‐Sulfonamide Inhibitors of IspF from Arabidopsis thaliana and Plasmodium falciparum

2‐Methylerythritol 2,4‐cyclodiphosphate synthase (IspF) is an essential enzyme for the biosynthesis of isoprenoid precursors in plants and many human pathogens. The protein is an attractive target for the development of anti‐infectives and herbicides. Using a photometric assay, a screen of 40 000 compounds on IspF from Arabidopsis thaliana afforded symmetrical aryl bis‐sulfonamides that inhibit IspF from A. thaliana (AtIspF) and Plasmodium falciparum (PfIspF) with IC₅₀ values in the micromolar range. The ortho‐bis‐sulfonamide structural motif is essential for inhibitory activity. The best derivatives obtained by parallel synthesis showed IC₅₀ values of 1.4 μm against PfIspF and 240 nm against AtIspF. Substantial herbicidal activity was observed at a dose of 2 kg ha^?1. Molecular modeling studies served as the basis for an in silico search targeted at the discovery of novel, non‐symmetrical sulfonamide IspF inhibitors. The designed compounds were found to exhibit inhibitory activities in the double‐digit micromolar IC₅₀ range.     

Pulsed Vacuum Osmotic Dehydration of Beetroot,Carrot and Eggplant Slices: Effect of Vacuum Pressure on the Quality Parameters

Pulsed vacuum osmotic dehydration (PVOD) is a widely used technique for reducing moisture content and water activity in biological products. This study aimed to analyze the effect of vacuum application (VA) on PVOD of beetroot, carrot, and eggplant slices, with respect to chemical (moisture, water activity, specific pigments, polyphenols, and sodium content), optical (color), mechanical (shrinkage, maximum stress, and elasticity), and structural (microstructure) properties. PVOD was conducted at three different vacuum pressures (0, 40, and 80 kPa, for 10 min), during a total process time of 300 min. Osmotic processing was performed at 35 °C by using a ternary osmotic solution [40% sucrose +?10% sodium chloride (w/w)]. Eggplant and carrot samples were more sensitive to VA, compared to beetroot. This was related to their porous and less compact structure. In general, VA reduced the moisture content and water activity and preserved the carotenoid content. VA caused loss of betalain and phenolic acid, favored sodium uptake, and induced significant changes in the optical, mechanical, and structural properties, compared to the osmotic processing conducted at atmospheric pressure.     

A theoretical evaluation of the effect of water on the electronic properties of low density amorphous carbon nanoparticles

Monte Carlo simulations combined with first-principles calculations were carried out to investigate the structure and electronic properties of amorphous carbon nanoparticles containing between 287 and 467 atoms, isolated and in an aqueous environment. Carbon interactions were described in terms of the semiemperical Tersoff potential and the interactions of the nanoparticles with water were described by an all-atom Lennard–Jones potential. The nanostructures were generated from low mass density amorphous carbon phases simulated under ambient conditions. Our study has indicated that the formation energy of these nanomaterials is slightly affected by the initial configuration of the amorphous phase. The large number of dangling bonds present in the nanostructures leads to huge magnetic moments, in a 31–42 μ_B range, calculated for the amorphous nanostructures containing distinct sp²/sp³ ratios. Also, these nanoparticles exhibit strong interaction energies with the aqueous environment, which are in agreement with the high reactivity expected for these amorphous systems. Most importantly, the calculated magnetism appears to be reduced between 1% and 14% in the presence of water, depending on both the nanoparticle density and surface.     

Anisotropic molecular packing of soluble C60 fullerenes in hexagonal nanocrystals obtained by solvent vapor annealing

We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C₆₁ butyric acid methyl ester (PCBM) into a new crystalline phase where the C₆₀ moieties are arranged in parallel layers. Minimum C₆₀ center-to-center distance is 10 Å within the layers, and up to 15 Å perpendicular to the layers. Highly anisotropic, mesoscopic hexagonal crystals of this material, with a lateral size of many microns and a thickness below 1 μm, are obtained from chloroform solution by solvent vapor annealing, and characterized by optical microscopy and X-ray diffraction. The crystalline structure is deduced combining experimental data with molecular modeling and ab initio calculations. The large difference in C₆₀–C₆₀ spacing indicates a high anisotropy in electrical and charge transport properties of this new phase.     

Brazilian scientific production in science education

In the present study we analyzed the Brazilian scientific production in the area of science education. The study was structured on: data by research groups registered in Conselho Nacional de Desenvolvimento Científico e Tecnológico; analysis of the post-graduate strictu sensu programs; analysis of theses and dissertations linked to post-graduate programs; and papers in international databases. Our research was conducted strictly via world wide web, from December 2009 to September 2010. It was found that both number of research groups, researchers, post-graduate programs, thesis, dissertations and papers presented a marked increase, especially in the last decade (from 2000 onwards). The major research centers were found to be located in public universities from Brazilian southeast and south regions. However, it was observed a tendency of decentralization, due to a recent investment in new public universities in the other Brazilian regions. So, this study sought to present an overview of the scientific production about science education and we expect that this information can help to expand the vision about the development of this research area in Brazil.     

Does carbon nanopowder threaten amphibian development?

Lethal and teratogenic potentials of carbon nanoparticles (CNPs) in their amorphous form were investigated by the standardized Frog Embryo Teratogenesis Assay-Xenopus (FETAX), a 96-h in vitro whole-embryo toxicity test based on the amphibian Xenopus laevis. Embryos were acutely exposed to 1, 10, 100 and 500 mg/L CNP suspensions and evaluated for lethality, malformations and growth inhibition. Larvae were processed for histological and ultrastructural analyses to detect the main affected organs, to look for specific lesions at the subcellular level and to image and track CNPs into tissues. Only the highest CNP suspension resulted in being embryolethal for X. laevis larvae, while malformed larva percentages significantly differed from controls starting from 100 mg/L. The stomach and gut were the preferential CNP accumulation sites, on the contrary, the digestive epithelium remained intact. The analyses showed the presence of isolated nanoparticles and/or aggregates in different secondary target organs. CNPs were found in circulating erythrocytes. The research confirms the good tolerance of X. laevis towards pure elemental carbon in its nanoparticulate amorphous form, but highlights the possibility of CNP transfer toward all body areas.     

Optimization of osmotic dehydration of yacon slices

Osmotic dehydration assisted by ultrasound (ODAU) at low temperatures reduces water activity (a_w) and maintains nutrients. The influence of solution concentration (SC; 20 to 60° Brix, xylitol and sorbitol) and ultrasound application time (t_us, 0 to 40 min) in ODAU of yacon was studied with the aid of a response surface method. The optimum condition with respect to mass transfer parameters, a_w, and fructan retention was SC of 60° Brix for both solutions and t_us of 2.67 min for xylitol samples and 0 min for sorbitol samples. The application of ultrasound improved dehydration but resulted in depolymerization of fructans.     

A non-linear and distributed modelling procedure of fets

This paper describes a rigorous and systematic procedure to derive a non-linear distributed FET model that an easily be implemented in CAD routines of simulators based on harmonic balance techniques. The new model is derived from a knowldge of the conventional linear lumped equivalent circuit, from non-linear current sources extracted with pulsed measurements, and from the physical dimensions of the FET. For fundamental and haromonic requencies, the FET is modelled by N identical cells. Each cell is made up of a non-linear two-port section inserted between two linear four-port sections that simulate the coupling and the distributed effects along the electrodes of the FET in the width direction only. This non-linear distributed scaling approach to FET modelling has been applied to the analysis of a submicrometre-gate GaAs FET at Millimetre-wave frequencies, and the results were compared to the non-linear lumped element approach. This approach can be applied to other transistors used in non-linear regions at microwave and millimetre-wave frequencies.