Total surface areas of Group IVA organometallic compounds: Predictors of toxicity to algae and bacteria

There is a high correlation between molecular surface area (TSA) of triorganotin and triorganolead compounds and their toxicity towards a bacterium (Escherichia coli) and an alga (Selenastrum capricornutum). Parallel attempts to correlate other Group IVA organometals incorporating silicon or germanium were unsuccessful. It was further demonstrated, however, that a high correlation was obtainable between certain series of compounds with the same organic substituent but different metal centers involving all Group IVA elements. In both instances, the inability to obtain a quantitative structure-activity relationship (QSAR) for all systems studied appears to be a function of the solubility of the compounds. While organotin TSA values have been found to correlate well with their toxicities toward various organisms, this study clearly suggests that this type of QSAR can be readily extended to include other organometal systems, provided that there is no solubility problem and the toxicity is a function of the hydrophobicity of the organometal compounds.     

Synthesis of 1-(3-alkyl-2,3-dideoxy-D-pentofuranosyl)uracils with potential anti-HIV activity.

1-(3-Alkyl-2,3-dideoxy-alpha,beta-D-erythro-pentofuranosyl)uracils and 1-(3-alkyl-2,3-dideoxy-alpha,beta-D-threo-pentofuranosyl)uracils have been prepared from (E)-4,5-di-O-acetyl-2,3-dideoxy-aldehydo-D-glycero-pent-2-enose by a Michael addition reaction of the appropriate organocopper reagent followed in subsequent order by glycosidation of the resulting 3-alkyl-4,5-diacetoxypentanal with methanolic hydrogen chloride, protection with p-methoxybenzoyl chloride, and trimethylsilyl triflate catalyzed coupling with 2,4-di-O-(trimethylsilyl)uracil. The nucleosides were deprotected by treatment with 33% methylamine in absolute ethanol and separated by reversed-phase HPLC.     

Spontaneous photorefractive effect in Sr1−x CaxTiO3 (x=0.014)

The temperature dependence of the principal values of the refractive index in Sr_1−x Ca_xTiO₃ (x=0.014) has been measured in the 17–275 K range under various conditions of sample illumination with 1.96 eV photons. The spontaneous photorefractive contribution δn ^ph to the temperature-induced variation of the refractive index of Sr_1−x Ca_xTiO₃, which appears after illumination of the sample in the ferrophase (transition temperature T _c=32 K) and persists in the paraphase under heating up to 150 K, has been separated. The photoinduced polarization has been estimated. Fiz. Tverd. Tela (St. Petersburg) 39, 711–713 (April 1997)     

Production and characterization of refractive index gratings in high-birefringence fibre optics

In this work, we report production and modelling of both Bragg gratings and rocking filters in high birefringence fibre optics. Bragg gratings are produced by UV (257.0 nm) external interferometric exposition of a frequency-doubled Ar⁺ ion laser, whereas for rocking filters formation the visible Ar⁺ ion laser lines in 488.0 and 514.5 nm are used in an internal method. The spectral characteristics due to the birefringence properties are studied through numerical methods and experimental techniques. The spectral responsivity of the structures under temperature changes and stress application is presented.     

Application of a Near-Optimal Reinforcement Learning Controller to a Robotics Problem in Manufacturing: A Hybrid Approach

Optimization theory provides a framework for determining the best decisions or actions with respect to some mathematical model of a process. This paper focuses on learning to act in a near-optimal manner through reinforcement learning for problems that either have no model or the model is too complex. One approach to solving this class of problems is via approximate dynamic programming. The application of these methods are established primarily for the case of discrete state and action spaces. In this paper we develop efficient methods of learning which act in complex systems with continuous state and action spaces. Monte-Carlo approaches are employed to estimate function values in an iterative, incremental procedure. Derivative-free line search methods are used to obtain a near-optimal action in the continuous action space for a discrete subset of the state space. This near-optimal control policy is then extended to the entire continuous state space via a fuzzy additive model. To compensate for approximation errors, a modified procedure for perturbing the generated control policy is developed. Convergence results under moderate assumptions and stopping criteria are established.     

Inhibition of the reduction of Cr(VI) at the magnetite–water interface by calcium carbonate coatings

The effect of calcium carbonate coatings on the reduction of aqueous chromate on the magnetite(1 1 1) surface has been investigated using a combination of synchrotron based X-ray photoemission spectroscopy (PES) and X-ray absorption near edge structure (XANES) spectroscopy, along with laboratory-based powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). CaCO₃ coatings (dominantly calcite with minor quantities of aragonite and vaterite) of thicknesses ranging from 10 Å to 20 m were grown on magnetite(1 1 1) surfaces by exposure to supersaturated aqueous solutions followed by evaporation of the solution—a process that mimics pore-water evaporation in vadose zones leading to the formation of caliche and calcium carbonate coatings on mineral grains. Coating thicknesses were determined from attenuation of the Fe 2p photoemission signal by the carbonate coating. For coatings less than 15 Å thick, Cr 2p photoemission and Cr L_II, L_III-edge XANES spectra show that chromate is reduced by the underlying magnetite surface; however, as the minimum coating thickness increases beyond 15 Å, the magnetite surface becomes passivated and further chromate reduction ceases. Our findings suggest that carbonate coatings on natural magnetite grains can significantly reduce or eliminate their ability to reduce Cr(VI), which is a toxic and highly mobile environmental contaminant.     

Combined gas chromatography/tandem mass spectrometry using laser photodissociation

Two fibre-optic interfaces were constructed for laser photodissociation/tandem mass spectrometry using an ion trap spectrometer. These interfaces allow sample introduction from a liquid reservoir, solids probe and gas chromatograph. The laser/ion trap configuration was applied to the analysis of a mixture of alkylbenenes separated by gas chromatography using 573 nm photons.     

Synthesis and polymerization of o-hexylaniline: Characterization of the corresponding polyaniline

In the field of research on soluble conducting polymers, the poly(o-alkylanilines) are very interesting because we can expect them to give more soluble polymers and new properties. Like poly(o-propylaniline) (POP), which is more soluble than polyaniline (PANi), poly(o-hexylaniline) (POH) appears to be more soluble in organic solvents than POP because of the longer alkyl groups in the 2-position. The higher solubility confers better processability on this new polymer, and because of this solubility, an NMR study in solution became possible.The nitration of hexylbenzene and the reduction of the resulting product to o-hexylaniline were performed according to the literature. The chemical polymerization was easy and it is possible to produce this polymer in large quantities.The polymerization carried out in anhydrous NH₄F, 2.35 HF medium and in 5 M perchloric acid gave a polymer with almost quantitative yield. The electrochemical behaviour of POH displayed faster electron transfers than PANi in organic solvents, depending on the acido-basicity level of the aqueous solutions. Unlike PANi, fractal growth was not observed.