Highly Proton-Conductive Zinc Metal-Organic Framework Based On Nickel(II) Porphyrinylphosphonate

The design of new solid-state proton-conducting materials is a great challenge for chemistry and materials science. Herein, a new anionic porphyrinylphosphonate-based MOF ( IPCE-1Ni ), which involves dimethylammonium (DMA) cations for charge compensation, is reported. As a result of its unique structure, IPCE-1Ni exhibits one of the highest value of the proton conductivity among reported proton-conducting MOF materials based on porphyrins (1.55×10⁻³ S cm⁻¹ at 75 °C and 80 % relative humidity).     

Stability of O3 + N2, O3 + O2 and O3 + CO2 double hydrates: DFT study

1. Download : Download high-res image (151KB)
2. Download : Download full-size image

     

Statistical Inference with Fractional Brownian Motion

We give a test between two complex hypothesis; namely we test whether a fractional Brownian motion (fBm) has a linear trend against a certain non-linear trend. We study some related questions, like goodness-of-fit test and volatility estimation in these models.     

Direct and inverse problems of estimation of functionals of distribution functions

The distribution functions F(x) and functionals of F(x) are estimated from treatment-effect observations.Translated from Statisticheskie Metody, pp. 125–133, 1982.     

Fast 3D shape screening of large chemical databases through alignment-recycling

Background  

Large chemical databases require fast, efficient, and simple ways of looking for similar structures. Although such tasks are now fairly well resolved for graph-based similarity queries, they remain an issue for 3D approaches, particularly for those based on 3D shape overlays. Inspired by a recent technique developed to compare molecular shapes, we designed a hybrid methodology, alignment-recycling, that enables efficient retrieval and alignment of structures with similar 3D shapes.     

Kinetics of oxidation of butene-1 to butanone in aqueous solution in the presence of ions Pd2+ and Mo-V-phosphoric heteropoly acid

Oxidation of butene-1 to butanone in the presence of homogeneous catalysts (PdSO₄ + HPA-x), where HPA-x = H_3+xPV_xMo_12-xO₄₀, 1 ￡ x ￡ 4, was investigated. This reaction is found to be of the 1st order with respect to C₄H₈, and of the 0.64th order with respect to Pd. The reaction rate does not depend on the HPA-x concentration and pH of the solution. The activation energy of the reaction is variable. A kinetic expression of the reaction is obtained for 303-343 K. This revised version was published online in June 2006 with corrections to the Cover Date.     

Synthesis and properties of a number of salts of N-succinylmethionine

A comparative study has been made of the radioprotector activity of cystamine and the synthesized cobalt and copper salts of N-succinylmethionine. Activity falls in the sequence cystamine-copper salt-cobalt salt.Khar'kov Scientific-Research Institute of Endocrinology and Hormone Chemistry. Khar'kov Medical Institute. Khar'kov Scientific-Research Institute of Medical Radiology. Translated from Khimiya Prirodnykh Soedinenii, No. 1, pp. 86–88, January–February, 1990.     

Catalysts Based on Fiberglass Support: IV. Platinum Catalysts Based on Fiberglass Support in Oxidation of Hydrocarbons (Propane and n-Butane) and Sulfur Dioxide

Platinum catalysts (0.003–0.52% Pt) based on leached sodium silicate and boron silicate fiberglass supports are studied in the complete oxidation of hydrocarbons (n-butane and propane) and high-temperature SO₂ oxidation. It was shown that platinum localized in the bulk of the glass matrix show a higher activity and thermal stability than metal particles supported on the outer surface of fiberglass. The experimental results for hydrocarbon oxidation on platinum-containing fiberglass gauzes at short contact times are discussed.     

Formation of columns of anomalous water by condensation in quartz capillaries

It is shown that these columns are formed in the kinetic mode from unsaturated water vapor. The condensation coefficient for an anomalous column is much less than for ordinary water. The growth rate is dependent on the equilibration time for the concentration of the anomalous component in the column. The diffusion coefficient for the anomalous component in water is less than the self-diffusion coefficient of water by nearly an order of magnitude; this and the low volatility are to be ascribed to large molecular size. It is supposed that the molecules of the anomalous component are strong groups of H₂O molecules that are only slowly converted to monomers.