(+/-)-cis-Dichloro[P-(isopropylamino)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine](triethylphosphine)platinum(II) dichloromethane solvate

In the racemic title compound, [PtCl2(C23H20NO2P)-(C6H15P)].CH2Cl2, the platinum(II) ion, which has approximately square-planar coordination geometry, is coordinated to two different monophosphorus ligands in a cis arrangement along with two chloride ions. A significant shortening of the P-N bond [1.604(7) Angstrom] relative to that in phosphinoamines and their complexes was observed.

Effect of magnetic field on the binding energy of a hydrogenic donor in a vertical bar z vertical bar(2/3) quantum well

We have calculated the binding energy of a hydrogenic donor in a quantum well with potential shape proportional to \z\(2/3) as a function of the width of the quantum well and the barrier height under an applied uniform magnetic field along the a axis. As the well width decreases, the binding energy increases initially up to a critical well width (which is nearly the same for all magnetic fields) at which there is a turnover. The results are qualitatively similar to those of a hydrogenic donor in a rectangular well. We have also calculated [rho(2)](1/2) and [z(2)](1/2) for the donor electron. [rho(2)](1/2) is found to be strongly dependent on the magnetic field for a given well width and weakly dependent on the well width and the barrier height, for a given value of magnetic field [z(2)](1/2) is weakly dependent on the applied magnetic field. The probability of finding the donor electron inside the well shows a rapid decrease as the well width is reduced at nearly the well width at which the binding energy shows a maximum.

Neutron diffraction study of the coupling between spin, lattice, and structural degrees of freedom in 0.8BiFeO(3)-0.2PbTiO(3)

A powder neutron diffraction study was carried out on 0.8BiFeO(3)-0.2PbTiO(3) in the temperature range 27-1000 degrees C. The system exhibits magnetic transition at similar to 300 degrees C and a rhombohedral (R3c)-cubic (Pm3m) ferroelectric phase transition at similar to 650 degrees C. Anomalous variation in the lattice parameters and the octahedral tilt angle is observed across the magnetic transition temperature. In the magnetic phase, the c parameter is contracted and the octahedral tilt angle is slightly increased. The results suggest coupling between the spin, lattice and structural degrees of freedom. (C) 2011 American Institute of Physics. doi:10.1063/1.3555093]

4-Hydroxy-6-(4-methoxyphenyl)-4-phenyl-1,3-diazinane-2-thione

In the title compound, C17H18N2O2S, the 1,3-diazinane-2-thione ring system is not coplanar with the benzene ring and methoxyphenyl ring system, the dihedral angle between the planes being 65.58 (13) and 89.18 (10)degrees, respectively. The crystal structure is characterized by intermolecular O-H...S, N-H...S, N-H...O and C-H...S hydrogen bonding.

Enantioselective synthesis of both (+)- and (-)-derivatives of bicyclo[4.3.0]nonan-8-one and 3,8-diones from R-carvone

Enantioselective synthesis of both the enantiomeric forms of the hydrindane derivatives mentioned in the title, potential chiral precursors in terpenoid synthesis, starling from R-carvone employing two different cyclopentannulation methodologies is described.

Exceptionally long crystal formation from 4-(3-bromopropyloxy)salicylaldehyde. X-ray crystallographic investigation

Unusually long (>14 cm) crystalline needles grow from 4-(3-bromopropyloxy)salicylaldehyde 1 presumably as a consequence of Br ... Br interactions; the powdered form of 1 shows one order of magnitude greater SHG activity realtive to urea.

Molecular dynamics studies on nucleoside 2',3'-cyclic phosphates

2',3'-cyclic nucleotides are intermediates and substrates of Ribonuclease (RNase)-catalysed reactions. The characterization of the equilibrium conformation as well as the flexibility inherent in these molecules helps in understanding the enzymatic action of RNases. The present study explores parameters like phase angle, glycosydic torsion angle and hydrogen bond to find possible interrelationship between them through Molecular Dynamics (MD) simulations on 3'-GMP, 3'-UMP, A>p, G>p, U>p, C>p, GpA>p and UpA>p. Interesting results of the effect of cyclisation and other constraints such as hydrogen bond between certain groups on the equilibrium ribose conformation have emerged from this study.

Giant magnetoresistance in lanthanum strontium yttrium manganese oxides (La(1-x)Sr(x-z)YuMnO(3))

Electron transport and magnetic properties of several compositions of the La1-xSx-zYzMnO3 system have been investigated in order to explore the effect of yttrium substitution on the magnetoresistance and related properties of these manganates. Yttrium substitution lowers the T-c and the insulator-metal transition temperature, while increasing the peak resistivity. A comparison of the properties of La1-xSrx-zYzMnO3 with the corresponding La1-xCax-zYzMnO3 compositions shows that the observed properties can be related to the average size of the A-site cations.

Identification of the active-site peptide of 2,3-dihydroxybenzoic acid decarboxylase from Aspergillus oryzae

The non-oxidative decarboxylation of aromatic acids is a poorly understood reaction. The transformation of 2,3-dihydroxybenzoic acid to catechol in the fungal metabolism of indole is a prototype of such a reaction. 2,3-Dihydroxybenzoic acid decarboxylase (EC 4.1.1.46) which catalyzes this reaction was purified to homogeneity from anthranilate induced cultures of Aspergillus oryzae using affinity chromatography. The enzyme did not require cofactors like NAD(+), PLP, TPP or metal ions for its activity. There was no spectral evidence for the presence of enzyme bound cofactors. The preparation, which was adjudged homogeneous by the criteria of SDS-PAGE, sedimentation analysis and N-terminal analysis, was characterized for its physicochemical and kinetic parameters. The enzyme was inactivated by group-specific modifiers like diethyl pyrocarbonate (DEPC) and N-ethylmaleimide (NEM). The kinetics of inactivation by DEPC suggested the presence of a single class of essential histidine residues, the second order rate constant of inactivation for which was 12.5 M(-1) min(-1). A single class of cysteine residues was modified by NEM with a second order rate constant of 33 M(-1) min(-1). Substrate analogues protected the enzyme against inactivation by both DEPC and NEM, suggesting the Location of the essential histidine and cysteine to be at the active site of the enzyme. The incorporation of radiolabelled NEM in a differential labelling experiment was 0.73 mol per mol subunit confirming the presence of a single essential cysteine per active-site. Differentially labelled enzyme was enzymatically cleaved and the peptide bearing the label was purified and sequenced. The active-site peptide LLGLAETCK and the N-terminal sequence MLGKIALEEAFALPRFEEKT did not bear any similarity to sequences reported in the Swiss-Prot Protein Sequence Databank, a reflection probably of the unique primary structure of this novel enzyme. The sequences reported in this study will appear in the Swiss-Prot Protein Sequence Databank under the accession number P80402.

Phase stability and dielectric properties of ceramics in the Pb(Zn1/3Nb2/3)O3-Pb(Ni1/3Nb2/3)O3-PbTio3 relaxor ferroelectric system

The perovskite structure in Pb(Zn1/3Nb2/3)O3 can be stabilized by the addition of Pb(Ni1/3Nb2/3)O3 and PbTiO3.Pb(Ni1/3Nb2/3)O3 assists in lowering the sintering temperature and shifting the Curie temperature of ceramics while PbTiO3 helps to optimize the dielectric properties. The phase stability and dielectric properties of several compositions in the Pb(Zn1/3Nb2/3)O3-Pb(Ni1/3Nb2/3)O3-PbTiO3 ternary relaxor ferroelectric system were investigated for possible capacitor applications. The effect of calcining and sintering temperature on the stability of perovskite phase in PZN rich compositions was studied extensively as a function of composition. The boundary line separating perovskite and mixed phases was determined for compositions near PZN. Several compositions can be sintered below 1050°C. The dielectric properties of compositions near the mixed phase boundary showed strong dependence on the percentage of pyrochlore phase. Compositions with a dielectric constant of 12.500 at room temperature have been identified which meet Z5T and Y5U specifications for dielectric constant and tan δ.

p-Hydroxyphenylacetate-3-hydroxylase. A two-protein component enzyme

p-Hydroxyphenylacetate-3-hydroxylase, an inducible enzyme isolated from the soil bacterium Pseudomonas putida, catalyzes the conversion of p-hydroxyphenylacetate to 3,4-dihydroxyphenylacetate. The enzyme requires two protein components: a flavoprotein and a colorless protein referred to as the coupling protein. The flavoprotein alone in the presence of p-hydroxyphenylacetate and substrate analogs catalyzes the wasteful oxidation of NADH with the stoichiometric generation of H2O2. A 1:1 complex of the flavoprotein and coupling protein is required for stoichiometric product formation. Such complex formation also eliminates the nonproductive NADH oxidase activity of the flavoprotein. A new assay measuring the product formation activity of the enzyme was developed using homoprotocatechuate-2,3-dioxygenase, as monitoring the oxidation of NADH was not sufficient to demonstrate enzyme activity. The coupling protein does not seem to have any redox center in it. Thus, this 2-component flavin hydroxylase resembles the other aromatic hydroxylases in that the only redox chromophore present is FAD.

Interactions of 3' terminal and 5' terminal regions of physalis mottle virus genomic RNA with its replication complex

Physalis mottle virus (PhMV) belongs to the tymogroup of positive-strand RNA viruses with a genome size of 6 kb. Crude membrane preparations from PhMV-infected Nicotiana glutinosa plants catalyzed the synthesis of PhMV genomic RNA from endogenously bound template. Addition of exogenous genomic RNA enhanced the synthesis which was specifically inhibited by the addition of sense and antisense transcripts corresponding to 3' terminal 242 nucleotides as well as the 5' terminal 458 nucleotides of PhMV genomic RNA while yeast tRNA or ribosomal RNA failed to inhibit the synthesis. This specific inhibition suggested that the 5' and 3' non-coding regions of PhMV RNA might play an important role in viral replication.

Preparation of a soluble 58kDa-3-hydroxy-3-methylglutaryl CoA reductase from liver microsomes and its inhibition by ethoxysilatrane, a hypocholesterolemic compound

On repeated thawing at room temperature of frozen preparations of heavy microsomes from rat livers, HMGCoA reductase activity was solubilized due to limited proteolysis. This soluble enzyme was partially purified by fractionation with ammonium sulfate and filtration on Sephacryl S-200 column. The active enzyme was coeluted with a major 92 kDa-protein and was identified as a 58kDa-protein after separation by SDS-PAGE and immunoblotting. Ethoxysilatrane, a hypocholesterolemic compound, which decreased the liver-microsomal activity of HMGCoA reductase on intra-peritonial treatment of animals, showed little effect on the enzyme activity with isolated microsomes or the 50kDa-soluble enzyme when added in the assay. But it was able to inhibit the activity of the soluble 58kDa-enzyme in a concentration-dependent, reversible manner. Cholesterol and an oxycholesterol were without effect whereas chlorophenoxyisobutyrate and ubiquinone showed small inhibition under these conditions. The extra region that links the active site domain (50kDa protein) to the membrane, present in the 58kDa-protein appears to be involved in mediating the inhibition by silatrane.

Phosphate derivatives of 123 cuprates of the formula LnSr(2)Cu(3)O(7) (Ln=Gd, Dy, Ho)

Partial substitution of Cu in the chain by the phosphate ion stabilizes LnSr(2)Cu(3)O(7) (Ln = Gd, Dy or Ho) in the 123 structure. The LnSr(2)Cu(2.8)(PO4)(0.2)O-y derivatives exhibit incommensurately modulated structures. The holmium oxy-phosphate derivative has been rendered superconducting by the partial substitution of Ho by Ca.