Near-barrier fission of the system12C+232Th

The fission fragment angular distributions for the system¹²C +²³²Th have been measured in the energy range 0.97<>_c.m./V_B<1.22. the=" measured=" anisotropies=" have=" been=" compared=" with=" the=" predictions=" of=" the=" standard=" saddle=" point=" statistical=" model,=" using=" the=" second=" moment=" of=" the=" compound=" nucleus=" spin=" distribution=">l² deduced from a Wong model fit to the fission excitation function. While the measured anisotropies agree with the standard saddle point statistical model for E_c.m./V_B>1.05, they are abnormally large at lower energies. This is also true for the existing measurements of¹⁶O and¹⁹F +²³²Th systems. Since for this system pre-equilibrium fission contributions are not expected, this anomaly indicates strong channel coupling effects leading to an increase in l² at sub-barrier energies.The authors thank Drs. R.K. Choudhury and A. Saxena for useful discussions, Dr. R.J. Singh for making the thorium target and the Pellectron operation staff for excellent operation of the machine.     

Synthesis of silver nanoprisms in formamide

Polygonal (mainly triangular) silver nanoprisms were prepared by reducing silver perchlorate in formamide in the presence of polyethylene glycol (PEG) at room temperature. The reduction of silver ions by formamide leads to the deposition of arrays of triangular shaped silver nanoparticles on the glass walls of the container, accompanied by evolution of CO2 gas. In the presence of poly(N-vinyl-2-pyrrolidone) (PVP) and PEG (1:1), both nanospheres and nanoprisms are formed.     

Rapid separation of microgram amounts of metal ions on stannic antimonate ion-exchange paper

Summary Microgram amounts of metal ions have been separated using stannic antimonate paper. Most of the separations can be accomplished within 15 minutes.

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Zusammenfassung Unter Verwendung von Zinn(IV)antimonat-Papier lassen sich Mikromengen zahlreicher Metallionen trennen. Die meisten Trennungen lassen sich innerhalb 15 min durchführen.

     

A comparative study of various computational approaches in calculating the structure of pyridoxal 5'-phosphate (PLP)-dependent beta-lyase protein. The importance of protein environment

Various computational approaches, using molecular mechanics (Amber), semiempirical (AM1), density functional (B3LYP), and various ONIOM methods, have been comparatively investigated for the structure of Escherichia coli NifS CsdB protein. The structure of the entire monomer containing 407 amino acid residues and 579 surrounding water molecules has been optimized. The full geometry optimization in the "active site-only" approach (including only active site atoms) has been found to give the largest root-mean-square (RMS) deviation from the X-ray structure; a much better agreement has been achieved by keeping the atoms leading to the backbones of some amino acids frozen in their positions in the X-ray structure. The best agreement has been attained by including the surrounding protein in the calculations using the two-layer ONIOM (B3LYP:Amber) approach. The results presented in this study conclusively demonstrate the importance of the protein/active-site interaction on the active-site structure of the enzyme. The present theoretical study represents the largest system studied at the ONIOM level to date, containing 7992 atoms, including 84 atoms in the QM region and rest in the MM region.     

(RO)(2)Ta[tris(2-oxy-3,5-dimethylbenzyl)amine]: structure and lactide polymerization activities

The novel atrane-like six-coordinate (RO)(2)TaL complexes [where R = Me or Et and L = tris(2-oxy-3,5-dimethylbenzyl)amine] containing three six-membered rings have been synthesized and characterized. The R = Me complex is the first group 5 representative of this class of compounds structurally characterized by X-ray means. Somewhat surprisingly, these compounds failed to function as single-site initiators for the polymerization of l-LA to isotactic PLA and rac-LA to atactic PLA, whereas Ta(OEt)(5) and two titanium analogues ROTiL (where R = 2,6-di-i-PrC(6)H(3) and i-Pr) as well as Ti(O-i-Pr)(4) were effective catalysts for both polymerizations.     

A comparison of the mechanism for the reductive half-reaction between pea seedling and other copper amine oxidases (CAOs)

In a previous DFT study a mechanism for the reductive half-reaction of pea seedling amine oxidase (PSAO) was suggested. In many of the suggested steps a lysine at the active site plays an important role. However, this lysine is not found in other amine oxidases. The primary aim of the present DFT study is therefore to investigate alternative mechanisms for those amine oxidases (CAO) where the lysine residue is not present. One of the most important roles suggested for the lysine in PSAO was to protonate the O2-site of TPQ before the critical Cbond;H bond cleavage of the substrate. In the absence of lysine the O2-site of TPQ is now suggested to be protonated by a water ligand on the copper metal complex, in line with experimental suggestions. In other steps the role of lysine is taken over by an asparagine. All results are compared with experimental observations and good agreement is generally found.