Interaction of H-2 with transition metal homonuclear dimers Cu-2, Ag-2, Au-2 and heteronuclear dimers PdCu, PdAg and PdAu

The reaction mechanisms of the H-2 with the homonuclear dimers M-2 (Cu, Ag, Au) and the heteronuclear dimers PdM (M = Cu, Ag, Au) were studied by use of density functional theory. For the H-2 reactions with homonuclear dimers M-2 (Cu, Ag, Au), it was found that it is easier for Au-2 to dissociate the hydrogen molecule compared with Cu-2 and Ag-2. For H-2 reactions with the heteronuclear dimers PdM (M = Cu, Ag, An), the hydrogen molecule can be easily dissociated at Pd site, rather than at noble metal site.

Evaluation of different culture conditions for high-level soluble expression of human cyclin A(2) with pET vector in BL21 (DE3) and spectroscopic characterization of its inclusion body structure

In this paper, we evaluated various parameters of culture condition affecting high-level soluble expression of human cyclin A, in Escherichia coli BL21(DE3), and demonstrated that the highest protein yield was obtained using TB(no glycerol) + 0.5% glucose medium at 25 degrees C. By single immobilized metal ion affinity chromatography, we got highly purified human cyclin A(2) with a yield ranged from 20 to 30 mg/L. By amyloid-diagnostic dye ThT binding and Fourier transform infrared spectroscopy, we observed a significant decrease in alpha-helix content and an increase in beta-sheet structure in cyclin A(2) inclusion body in comparison to its native protein, and confirmed the resemblance of the internal organization of cyclin A(2) inclusion body and amyloid fibrils.

Synthesis and characterization of a new layered zinc phosphate: (C3H4N2)(3)Zn-4(HPO4)(PO4)(2) with imidazole coordinating to Zn atoms

A new two-dimensional hybrid zinc phosphate with electro-neutral open-framework has been hydrothermally synthesized by using imidazole as a structure-directing agent, whose structure is characterized with 3-, 4-, 5, and 12-ring layers and coordination bonds between imidazole groups and zinc atoms, resulting in primary building units of ZnO2N2 and ZnO3N.

The second anti-lipopolysaccharide factor (EsALF-2) with antimicrobial activity from Eriocheir sinensis

The anti-lipopolysaccharide factor CALF) is a small basic protein that can bind and neutralize lipopolysaccharide (LPS), mediating degranulation and activation of an intracellular coagulation cascade. In the present study, cDNA of the second Eriocheir sinensis ALF (designated as EsALF-2) was cloned and the full-length cDNA of EsALF-2 was of 724 bp, consisting of an open reading frame (ORF) of 363 bp encoding a polypeptide of 120 amino acids. The deduced amino acid of EsALF-2 shared 82% similarity with EsALF-1 from E. sinensis and about 53-65% similarity with ALFs from other crustaceans. The potential tertiary structures of EsALF-1 and EsALF-2 contained two highly conserved-cysteine residues to define the LPS binding site, but the N-terminal of EsALF-1 formed a single additional alpha-helix compared to EsALF-2, implying that EsALF-1 and EsALF-2 might represent different biological functions in E. sinensis. The mRNA transcript of EsALF-2 was detected in all examined tissues of healthy crabs, including haemocytes, hepatopancreas, gill, muscle, heart and gonad, which suggested that EsALF-2 could be a multifunctional molecule for the host immune defense responses and thereby provided systemic protection against pathogens. The mRNA expression of EsALF-2 was up-regulated after Listonelln anguillarum and Pichia pastoris challenge and the recombinant protein of EsALF-2 showed antimicrobial activity against L. anguillarum and P. pastoris. indicating that EsALF-2 was involved in the immune defense responses in Chinese mitten crab against L. anguillarum and P. pastoris. These results together indicated that there were abundant and diverse ALFs in E. sinensis with various biological functions and these ALFs would provide candidate promising therapeutic or prophylactic agents in health management and diseases control of crab aquaculture. (C) 2010 Elsevier Ltd. All rights reserved.

Quantum-mechanical calculations of vibrationally resolved cross sections for non-dissociative charge transfer of O3+ with H-2

Charge transfer due to collisions of ground state O3+ (2s(2)2p P-2) ions with molecular hydrogen is investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method, and electronic and vibrational state-selective cross sections along with the corresponding differential cross sections are calculated for projectile energies of 100, 500, 1000 and 5000 eV/u at the orientation angles of 25 degrees,45 degrees and 89 degrees. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations were obtained with the spin-coupled valence-bond approach. The infinite order sudden approximation (IOSA) and the vibrational sudden approximation (VSA) are utilized to deal with the rotation of H-2 and the coupling between the electron and the vibration of H-2. It is found that the distribution of vibrationally resolved cross sections with the vibrational quantum number upsilon' of H-2(+) (upsilon') varies with the increment of the projectile energy; and the electronic and vibrational stateselective differential cross sections show similar behaviors: there is a highest platform within a very small scattering angle, beyond which the differential cross sections decrease as the scattering angle increases and lots of oscillating structures appear, where the scattering angle of the first structure decreases as E-P(-1/2) with the increment of the projectile energy E-P; and the structure and amplitude of the differential cross sections are sensitive to the orientation of molecule H-2, which provides a possibility to identify the orientations of molecule H-2 by the vibrational state-selective differential scattering processes.

Syntheses, crystal structures and properties of two Cu(II) coordination polymers: Cu(C3N2H4)(2)(HL)(2) andCU(C3N2H4)(2)L with C3N2H4 = imidazole, H2L = adipic acid

The reactions of freshly prepared Cu(OH)(2).xH(2)O and Cu(OH)(2-2y)(CO3)(y).zH(2)O precipitates with imidazole and adipic acid in CH3OH/H2O at pH = 5.4 yielded CU(C3N2H4)(2)(HL)(2) 1 and CU(C3N2H4)(2)L 2, respectively. Complex 1 consists of ribbon-like polymeric chains (1)(infinity)[CU(C3N2H4)(2)(HL)(4/2)], in which the octahedrally coordinated Cu atoms are doubly bridged by bis-monodentate hydrogen adipato ligands. The interchain N-H...O hydrogen bonding interactions are responsible for supramolecular assembly of the polymeric chains into open 3D frameworks and two-fold interpenetration of the resulting open frameworks completes the crystal structure of 1. Within complex 2, the Cu atoms are penta-coordinated to form CuN2O3 square pyramids and condensed into CU2N4O4 dimers, which are doubly bridged by twisted bis-monodentate adipato ligands into polymeric chains (1)(infinity)([CU(C3N2H4)(2)](2)L-4/2) with 4- and 18-membered rings progressing alternatively. The polymeric chains are assembled due to interchain N-H...O hydrogen bonding interactions. The thermal and magnetic behaviors of 1 and 2 is discussed.

Determination of total calcium in plasma by flow injection analysis with tris(2,2 '-bipyridyl)ruthenium(II) electrochemiluminescent detection

We described here a new method for the determination of total calcium in plasma. The method is based on the precipitation of calcium with excess oxalate and the measurement of residual oxalate by flow injection analysis with Ru(bpy)(3)(2+) electrochemiluminescent detection. It has the advantages of extremely stable reagent, user-friendly instrument, high selectivity, good analytical recovery, wide dynamic range, and nice correlation with atomic absorption spectroscopy. The calibration plot for calcium is linear over a concentration range from 0.5 mmol L-1 to 4.8 mmol L-1, which is wider than those obtained by most other methods. The analytical recoveries for plasma calcium are 98.4-101.2% with coefficients of variation (CVs) of 1.96-2.52%. The within-day CVs range from 0.76% to 0.95%, and between-day CVs were from 1.12% to 1.46%. The time for each injection is one minute. Because the proposed method can be readily carried out on increasingly popular instruments for Ru(bpy)(3)(2+) ECL immunoassays and DNA probe assays, Ru(bpy)32+ ECL method is suitable for routine clinical analysis of calcium.

Sol-gel deposition and luminescent properties of oxyapatite Ca-2(Y,Gd)(8)(SiO4)(6)O-2 phosphor films doped with rare earth and lead ions

Rare-earth and lead ions (Eu3+, Tb3+, Dy3+, Pb2+) doped Ca2Y8 (SiO4)(6)O-2 and Ca2Gd8(SiO4)(6)O-2 thin films have been dip- coated on silicon and quartz glass substrates through the sol- gel route. X- Ray diffraction (XRD), TG- DTA, scanning electron microscopy (SEM), atomic force microscopy (AFM), FT- IR and luminescence excitation and emission spectra as well as luminescence decays were used to characterize the resulting films. The results of XRD reveal that these films remain amorphous below 700 degreesC, begin to crystallize at 800 degreesC and crystallize completely around 1000 degreesC with an oxyapatite structure. The grain structure of the film can be seen clearly from SEM and AFM micrographs, where particles with various shapes and average size of 250 nm can be resolved. Eu3+ and Tb3+ show their characteristic red (D-5(0)-F-7(2)) and green (D-5(4) - F-7(5)) emission in the films with a quenching concentration of 10 and 6 mol% (of Y3+), respectively. The lifetime and emission intensity of Eu3+ increase with the temperature treatment from 700 to 1100 degreesC, while those of Tb3+ show a maximum at 800 degreesC. Energy transfer phenomena have been observed by activating the oxyapatite film host- lattice Ca2Gd8(SiO4)(6)O-2 with Tb3+ (Dy3+). In addition, Pb2+ can sensitize the Gd3+ sublattice in Ca2Gd8(SiO4)(6)O-2.

16-and 18-electron Cp*Rh complexes with 1,2-dicarba-closo-dodecabofane(12)-1,2-dichalcogenolato ligands, as studied by multinuclear magnetic resonance

The reaction of [Cp*RhCl2](2) 1 with dilithium 1,2-dicarba-closo-dodecaborane(12)-1,2-dithiolate (a) and -diselenolate (b) afforded the 16-electron rhodium(III) half-sandwich complexes Cp*Rh[E2C2(B10H10)] [E=S (3a), Se (3b)]. The 18-electron trimethylphosphane rhodium(III) half-sandwiches Cp*Rh(PMe3)[E2C2(B10H10)] 4a-c were prepared from the reaction of Cp*RhCl2(PMe3) 2 with the same dichalcogenolates, including the ditelluride (c). The complexes 4a,b could also be obtained from the reaction of 3a,b with trimethylphosphane. The molecular geometry of 4b was determined by X-ray structural analysis. The 16-electron complexes 3 an monomeric in solution as shown by multinuclear magnetic resonance (H-1-, B-11-, C-13-, P-31- Se-77-, Rh-103-, Te-125-NMR). also in comparison with the data for the trimethylphosphane analogues 4a-c and for 6a in which the rhodium bears the eta(5)-1,3-C5H3 Bu-t(2) ligand. The Rh-103 nuclear shielding is reduced by 831 ppm (3a) and 1114 ppm (3b) with respect to the 18-electron complexes 4a,b. Similarly, the Se-77 nuclear shielding in 3b is reduced by 676.4 ppm with respect to that in 4b. (C) 1999 Elsevier Science S.A. All rights reserved.

Preparation And Optical Properties Of Cdte/Cdo Center Dot Nh(2)O Core/Shell Nano-Composites In Aqueous Solution

The deposition of CdO center dot nH(2)O On CdTe nanoparticles was studied in an aqueous phase. The CdTe nanocrystals (NCs) were prepared in aqueous solution through the reaction between Cd2+ and NaHTe in the presence of thioglycolic acid as a stabilizer. The molar ratio of the Cd2+ to Te2- in the precursory solution played an important role in the photoluminescence of the ultimate CdTe NCs. The strongest photoluminescence was obtained under 4.0 of [Cd2+]/[Te2-] at pH similar to 8.2. With the optimum dosage of Cd(II) hydrous oxide deposited on the CdTe NCs, the photoluminescence was enhanced greatly. The photoluminescence of these nanocomposites was kept constant in the pH range of 8.0-10.0, but dramatically decreased with an obvious blue-shifted peak while the pH was below 8.0. In addition, the photochemical oxidation of CdTe NCs with cadmium hydrous oxide deposition was markedly inhibited.

Preparation and optical properties of CdTe/CdO center dot nH(2)O core/shell nano-composites in aqueous solution

The deposition of CdO center dot nH(2)O On CdTe nanoparticles was studied in an aqueous phase. The CdTe nanocrystals (NCs) were prepared in aqueous solution through the reaction between Cd2+ and NaHTe in the presence of thioglycolic acid as a stabilizer. The molar ratio of the Cd2+ to Te2- in the precursory solution played an important role in the photoluminescence of the ultimate CdTe NCs. The strongest photoluminescence was obtained under 4.0 of [Cd2+]/[Te2-] at pH similar to 8.2. With the optimum dosage of Cd(II) hydrous oxide deposited on the CdTe NCs, the photoluminescence was enhanced greatly. The photoluminescence of these nanocomposites was kept constant in the pH range of 8.0-10.0, but dramatically decreased with an obvious blue-shifted peak while the pH was below 8.0. In addition, the photochemical oxidation of CdTe NCs with cadmium hydrous oxide deposition was markedly inhibited.

Compact 120 TW Ti: sapphire laser system with a high gain final amplifier

A 120TW/36fs laser system based on Ti:sapphire chirped-pulse amplification (CPA) has been successfully established in our lab. The final four pass Ti:sapphire amplifier pumped by an energetic single-shot Nd:YAG-Nd:glass laser was designed and optimized. With 24J/8ns pump energy at 532 nm, 300 mJ/220 ps chirped pulse was amplified to 5.98 J in this amplifier, and a total saturated gain of similar to 20 was achieved. The focused intensity of compressed beam could reach to 10(20) W/cm(2) with the M-2 of similar to 2.0. (c) 2005 Elsevier Ltd. All rights reserved.

First-principles study of the electronic structures and absorption spectra for the PbMoO4 crystal with lead vacancy

The electronic structures and absorption spectra for the perfect PbMoO4 crystal and the crystal containing lead vacancy V-Pb(2-) with lattice structure optimized are calculated using density functional theory code CASTEP. The calculated absorption spectra of the PbMoO4 crystal containing V-Pb(2-) exhibit three absorption bands peaking at 2.0 eV (620 nm), 3.0 eV (413 run) and 3.3 eV (375 nm), which are in good agreement with experimental values. The theory predicts that the 390 nm, 430 nm and 580 run absorption bands are related to the existence of V-Pb(2-) in the PbMoO4 crystal.