The hydrogen‐bonding network in deacetyl­cephalothin

The structural analysis of deacetyl­cephalothin [systematic name: (6R,7R)‐3‐hydroxy­methyl‐8‐oxo‐7‐(2‐thio­phen‐2‐yl­acetyl­amino)‐5‐thia‐1‐aza­bicyclo­[4.2.0]oct‐2‐ene‐2‐carboxylic acid], C₁₄H₁₄N₂O₅S₂, shows that the geometry of the central bicyclic moiety is close to the geometry exhibited by other biologically active cephalosporin antibiotics. The mol­ecules are arranged in a helical chain running parallel to the 2₁ axis via a strong O—H⋯O hydrogen bond. The main helices are zipped together via N—H⋯O inter­actions, forming infinite layers. The supramolecular architecture is stabilized by O—H⋯S and C—H⋯O hydrogen bonds.     

Monomeric triphenylphosphite palladacycles with N-imidazole ligands as catalysts of Suzuki-Miyaura and Sonogashira reactions

Three monomeric triphenylphosphite palladacycles of the formula [PdCl(P-C)(im)], where P-C = P(OC₆H₄)(OC₆H₅)₂, im = 1-methylimidazole, 2, 1,2-dimethylimidazole, 3, and 1-butylimidazole, 4, were obtained in reaction of [PdCl(P-C)]₂, 1, with the respective imidazoles. These complexes exhibited high catalytic activity in the Suzuki-Miyaura reaction in ethane-1,2-diol and in the Sonogashira reaction in ionic liquids, [bmim]BF₄ and [bmim]PF₆. While the application of two imidazoles per palladium caused improvement of the reaction yield, an inhibiting effect was found in both reactions when 1-methylimidazole or 1-butylimidazole was used in 20-fold excess relative to palladium.     

Glycosylation of organic thio- and selenoacids of phosphorus : The reaction of organic monothio acids of phosphorus with glycosyl bromides. Thiono-thiolo rearrangement of glycosyl phosphorothioates

Ambident anions derived from phosphorus monothio acids have been glycosylated by 2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl-, 2,3,4,6-tetra-O-acetyl-α-D-galactopyranosyl- and 2,3,4-tri-acetyl-α-D-xylopyranosyl bromides, yielding β-S-glycosyl- and /gb-O-glycosylthioates. The S/O ratio of the glycosylated phosphorothioates depends markedly on the salt used. Ammonium salts favour the formation of S-derivatives, whereas silver salts give mainly O-derivatives. O-Glucosyl phosphorothioate undergoes thermal isomerisation to S-glucosyl phosphorothioate, with retention of configuration at the glycosylic centre. The implications of this stereochemical result are briefly discussed.     

Glycosylation of organic phosphorus thio- and selenoacids—II: The reaction of organic phosphorus thioselenoacids with glycosyl bromides under kinetically and thermodynamically controlled conditions

Ambident anions derived from phosphorus thioselcnoacids were glycosylated with 2,3,4,6 - tetra - O - acetyl - α - d - glucopyranosyl bromide, 2,3,4,6 - tetra - O - acetyl - α - d - galactopyranosyl bromide and 2,3,4 - tri- O - acetyl - α - d - xylopyranosyl bromide. The products were β-Se-glucosyl- and β-S-glucosylthioselenoates. The Se/S ratio of the glycosylated phosphorothioselenoates depends on the reaction conditions. At higher temperatures an equilibrium was observed. As a result of this equilibrium the Se/S ratio of the linkages formed in the glycosylated products was different from that observed under kinetic control. The structures of the glycosylated phosphorothioselenoates were confirmed by spectroscopy, independent synthesis and selective oxidation.     

Solutions to stochastic fractional oscillation equations

We formulate a fractional stochastic oscillation equation as a generalization of Bagley’s fractional differential equation. We do this in analogy with the case for Basset’s equation, which gives rise to fractional stochastic relaxation equations. We analyze solutions under some conditions of spatial regularity of the operators considered.     

Photosynthesis-Inhibiting Activity of N-(Disubstituted-phenyl)-3-hydroxynaphthalene-2-carboxamides

A set of twenty-four 3-hydroxynaphthalene-2-carboxanilides, disubstituted on the anilide ring by combinations of methoxy/methyl/fluoro/chloro/bromo and ditrifluoromethyl groups at different positions, was prepared. The compounds were tested for their ability to inhibit photosynthetic electron transport (PET) in spinach (Spinacia oleracea L.) chloroplasts. N-(3,5-Difluorophenyl)-, N-(3,5-dimethylphenyl)-, N-(2,5-difluorophenyl)- and N-(2,5-dimethylphenyl)-3-hydroxynaphthalene-2-carboxamides showed the highest PET-inhibiting activity (IC₅₀ ~ 10 µM) within the series. These compounds were able to inhibit PET in photosystem II. It has been found that PET-inhibiting activity strongly depends on the position of the individual substituents on the anilide ring and on the lipophilicity of the compounds. The electron-withdrawing properties of the substituents contribute towards the PET activity of these compounds.     

Computing the noncentral gamma distribution, its inverse and the noncentrality parameter

The noncentral gamma distribution can be viewed as a generalization of the noncentral chi-squared distribution and it can be expressed as a mixture of a Poisson density function with a incomplete gamma function. The noncentral gamma distribution is not available in free conventional statistical programs. This paper aimed to propose an algorithm for the noncentral gamma by combining the method originally proposed by Benton and Krishnamoorthy (Comput Stat Data Anal 43(2):249–267, 2003) for the noncentral distributions with the method of inversion of the distribution function with respect to the noncentrality parameter using Newton–Raphson. The algorithms are available in pseudocode and implemented as R functions. To evaluate the accuracy and speed of computation of the algorithms implemented in R, results of the distribution function, density function, quantiles and noncentrality parameter of the noncentral incomplete gamma and its particular case, the noncentral chi-squared, were obtained for the arguments settings used by Benton and Krishnamoorthy (Comput Stat Data Anal 43(2):249–267, 2003) and Chen (J Stat Comput Simul 75(10):813–829, 2005). The implemented routines performed well and, in general, were as accurate than other approximations. The R package denoted ncg is available to download on the CRAN-R package repository http://cran.r-project.org/.     

Multi-component PZT ceramics obtained by mechanochemical activation and conventional ceramic technology

Journal of Thermal Analysis and Calorimetry - Numerical predictions of flow boiling in a square tube rotating in vertical direction at a uniform rotating speed are presented. There-dimensional...     

Shaping metal–organic framework (MOF) powder materials for CO2 capture applications—a thermogravimetric study

Journal of Thermal Analysis and Calorimetry - The paper presents the effect of the tabletting pressure and time on the chemical structure and crystallinity of the CuBTC and MIL-53(Al)...