Crystal structure and electrical conductivity of cubic fluorite-based (YO1.5) x (WO3)0.15(BiO1.5)0.85- x (0?≤ ?x ≤?0.4) solid solutions

(WO₃)_0.15(BiO_1.5)_0.85 exhibits a tetragonal structure derived from the fluorite subcell. The electrical conductivity of (WO₃)_0.15(BiO_1.5)_0.85 is lower than that of Y₂O₃-doped Bi₂O₃. The structure and electrical conductivity of samples formulated as (YO_1.5) _x (WO₃)_0.15(BiO_1.5)_{0.85- x} (x = 0.1, 0.2, 0.3, and 0.4) were investigated. The as-sintered (YO_1.5)_0.1(WO₃)_0.15(BiO_1.5)_0.75 exhibited a single cubic structure that is isostructural with δ-Bi₂O₃. For x = 0.2, 0.3, and 0.4, the as-sintered samples consisted of a cubic fluorite structure and rhombohedral Y₆WO₁₂. After heat treatment at 600 °C for 200 h, the cubic structures are stable for x = 0.1, 0.3, and 0.4. A transformation from cubic to rhombohedral phase after heat treatment at 600 °C for 200 h was observed in the sample originally formulated as (YO_1.5)_0.2(WO₃)_0.15(BiO_1.5)_0.65.     

Synthesis and thermal properties of mesomorphic 1,1'-bis[ω-(4'-cyano-4-biphenyloxy)alkyl] ferrocenes

A new series of 1,1'-disubstituted ferrocene compounds of the type [(η⁵-C₅H₄(CH₂)_nOC₆H₄C₆H₄CN]₂Fe (3a-d, n = 5, 6, 8, 11) incorporating a variable length alkyloxy cyanobiphenyl unit has been prepared and their mesomorphic properties have been investigated. Compounds 3b, c and d exhibit a thermotropic smectic C phase and 3c also exhibits a monotropic smectic A phase over a fairly wide range near ambient temperature.     

Cloud dispersion models

A new technique has been developed to compute mean and fluctuating concentrations in complex turbulent flows. An initial distribution of material is discretised into any small clouds which are advected by a combination of the mean flow and large scale turbulence. The turbulence can be simulated either by Kinematic Simulation or by a stochastic model for the motion of each cloud centroid. The clouds also diffuse relative to their centroids; the statistics for this are obtained from a separate calculation of the growth of individual clouds in small scale turbulence, generated by Kinematic Simulation. The ensemble of discrete clouds is periodically rediscretised, to limit the size of the small clouds and prevent overlapping. The model is illustrated with simulations of dispersion in uniform flow and in a coastal flow, and the results are compared with analytic, steady state solutions where available.     

Design, synthesis and biological characterization of novel inhibitors of CD38

Human CD38 is a novel multi-functional protein that acts not only as an antigen for B-lymphocyte activation, but also as an enzyme catalyzing the synthesis of a Ca(2+) messenger molecule, cyclic ADP-ribose, from NAD(+). It is well established that this novel Ca(2+) signaling enzyme is responsible for regulating a wide range of physiological functions. Based on the crystal structure of the CD38/NAD(+) complex, we synthesized a series of simplified N-substituted nicotinamide derivatives (Compound 1-14). A number of these compounds exhibited moderate inhibition of the NAD(+) utilizing activity of CD38, with Compound 4 showing the highest potency. The crystal structure of CD38/Compound 4 complex and computer simulation of Compound 7 docking to CD38 show a significant role of the nicotinamide moiety and the distal aromatic group of the compounds for substrate recognition by the active site of CD38. Biologically, we showed that both Compounds 4 and 7 effectively relaxed the agonist-induced contraction of muscle preparations from rats and guinea pigs. This study is a rational design of inhibitors for CD38 that exhibit important physiological effects, and can serve as a model for future drug development.     

The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines

Ru(II) complexes of TsDPEN containing two alkyl groups on the non-tosylated nitrogen atom are poor catalysts for asymmetric transfer hydrogenation of ketones and imines; this observation provides direct evidence for the importance of the N-H interaction in the transition state for ketone reduction.     

Nitro-oxidized carboxycellulose nanofibers from moringa plant: effective bioadsorbent for mercury removal

Cellulose - Mercury contamination in drinking water is a worldwide problem due to its severely harming effects on the human body. A nanostructured natural bioadsorbent, carboxycellulose nanofiber...     

Preparation and Characterization of a Cobalt‐Containing Mono‐Phosphine Ligand and its Coordinated Molybdenum Complex

A cobalt‐containing monodentate phosphine [(μ₂‐PPh₂CH₂PPh₂‐κ²P)Co₂(CO)₄][μ₂‐η²‐PhC≡CP(i‐Pr)₂] 2f , was prepared from the reaction of (μ₂‐PPh₂CH₂PPh₂‐κ²P)Co₂(CO)₆ 1 with PhC≡CP(i‐Pr)₂. It was accompanied by an oxidized compound, [(μ₂‐PPh₂CH₂PPh₂‐κ²P)Co₂(CO)₄][μ₂‐η²‐PhC≡CP(=O)(i‐Pr₂)] 2fo during the chromatographic process. Further reaction of 2f with Mo(CO)₆ resulted in the formation of a 2f ‐ligated molybdenum complex 4 , [(μ₂‐PPh₂CH₂PPh₂‐κ²P)Co₂(CO)₄][μ₂‐η²‐PhC≡CP(i‐Pr₂)‐κP]‐Mo(CO)₅.     

Anion effect on the nanostructure of a metal ion binding self-assembling peptide

Effects of copper salts containing different anions (SO(4)(2)(-), Cl(-), and NO(3)(-)) on the self-assembly of a designed peptide EAK16(II)GGH with affinity for Cu(2+) have been investigated. The peptide secondary structure, self-assembled nanostructures, and surface activity were observed to depend strongly on the type of anion. Over a salt concentration range from 0.05 to 10.0 mM, SO(4)(2)(-) induced long fiber formation, whereas Cl(-) and NO(3)(-) caused short fiber formation. The fiber length increased with copper sulfate concentration, but the concentration of copper chloride and copper nitrate did not affect the peptide nanostructures significantly. Analysis by Fourier transform infrared spectroscopy (FTIR) revealed that the addition of the copper salts tended to cause the peptide conformation to change from alpha-helix/random coil to beta-sheet, the extent to which depended on the anion type. This evidence of the anion effect was also supported by surface tension measurements using the axisymmetric drop shape analysis-profile (ADSA-P) technique. An explanation for the effect of anions on the peptide self-assembly was proposed. The divalent anion SO(4)(2)(-) might serve as a bridge by electrostatically interacting with two lysine residues from different peptide molecules, promoting beta-sheet formation. The extensive beta-sheet formation may further promote peptide self-assembly into long fibers. On the other hand, monovalent anions Cl(-) and NO(3)(-) may only electrostatically interact with one charged residue of the peptide; hence, a mixed secondary structure of alpha-helix/random coil and beta-sheet was observed. This observation might explain the predominant formation of short fibers in copper chloride and copper nitrate solutions.     

An expedient preparation of Stryker's reagent

A convenient and efficient preparation of Stryker's reagent, [Ph₃PCuH]₆, under homogeneous conditions using silanes as the reducing agent is detailed. The reaction time can be reduced to 1-2 h, and high yields of Stryker's reagent can be routinely achieved. The same method has been extended to the synthesis of [Ph₃PCuD]₆ using Ph₂SiD₂.