Fission yields at different fission-product kinetic energies for thermal-neutron-induced fission of 239Pu

At the recoil spectrometer “Lohengrin” of the Institut Laue-Langevin in Grenoble, the yields of the light fission products from the thermal-neutron-induced fission of ²³⁹Pu were measured as a function of A, Z, the kinetic energy E and the ionic charge states q. The nuclear charge and mass distributions summed over all ionic charge states were determined for different light fissionproduct kinetic energies between 93 and 112 MeV. The proton odd-even effect which was measured to be (11.6 ± 0.6)% causes considerable fine structure in the yields. The average kinetic energy of even-Z elements in the light fission-product group is 0.3 ± 0.1 MeV larger than for odd-Z elements. The neutron odd-even effect is (6.5 ± 0.7)%. The comparison with previously published data ¹) for thermal-neutron-induced fission of ²³⁵U reveals a correlation between the proton odd-even effect in the yield and in the kinetic energy of the elements. The dependence of the proton odd-even effect on the fragmentation is very similar for ²³⁵U and ²³⁹Pu when it is considered as a function of the nuclear charge of the heavy fission products. The isobaric variances σ_z². for thermal-neutron fission of ²³⁵U and ²³⁹Pu coincide at all kinetic energies if the influence of the proton odd-even effect is averaged out. This supports the hypothesis that the magnitude of σ_z² is determined only by quantum-mechanical zero-point fluctuations. The influence of the spherical shells Z = 50 and N = 82 on the fragmentation is discussed.     

BaIr0,67Be0,33O3: Eine stabilisierte kubische Form von BaIrO3

Inhaltsübersicht. Es ist gelungen, ein durch BeO stabilisiertes Bariumoxoiridat der Zusammensetzung BaIr_0,67Be_0,33O₃ in der Kristallform eines kubischen Perowskits mit kleiner Elementarzelle erstmals darzustellen. Raumgruppe O¹_h–Pm3m, a = 4,1009 Å, Z = 1. Ir⁵⁺ und Be² + besetzen die Oktaederposition des Perowskits statistisch. BaIr_0,67Be_0,33O₃: A Stabilized Cubic Form of BaIrO₃ For the first time it was possible to prepare a new barium-oxoiridate of the formula BaIr_0,67Be_0,33O₃, stabilized by BeO. It crystallizes in a small cubic unit cell of the perovskite type. Space group O¹_h–Pm3m; a = 4.1009 Å; Z = 1. Ir⁵⁺ and Be²⁺ occupy the octahedra positions of the perovskite structure statistically.     

Physical properties of poly(ethylene glycol) (PEG)-based resins for combinatorial solid phase organic chemistry: a comparison of PEG-cross-linked and PEG-grafted resins

Three series of poly(ethylene glycol) (PEG)-based polymers were synthesized and characterized with respect to their physical properties. Polyoxyethylene-polyoxypropylene (POEPOP), polyoxyethylene-polyoxetane (SPOCC), and polyoxyethylene-polystyrene (POEPS-3) were synthesized respectively by anion polymerization, cation polymerization, and radical polymerization. Both bulk and suspension modes were used to synthesize the polymers from derivatized PEG monomers (PEG 400, PEG 900, and PEG 1500). The three supports were compared with two commercially available PEG-grafted supports (TentaGel S OH, ArgoGel-OH) and two polystyrene supports (aminomethylated polystyrene [PS-NH2] and macroporous aminomethylated polystyrene [PLAMS]) with respect to their swelling properties, loading, NMR spectral quality, as well as solvent and reagent accessibility. Loadings of 0.3-0.7 mmol/g were obtained for the PEG-based resins. Swelling of the PEG-based resins was determined to be higher than that of the PEG-grafted resins and polystyrene supports. The PEG-based resins gave better resolved high-resolution NMR spectra than the PEG-grafted resins when examined by magic angle spinning nanoprobe (MAS) NMR spectroscopy. Moreover, fluorescence quenching of polymer bound 2-amino-benzoate by protonation with p-toluenesulfonic acid showed moderate to fast diffusion through the polymer depending on the solvent and the polymer matrix.     

Cytosporones O, P and Q from an endophytic Cytospora sp.

Cytosporones O, P and Q, together with the known compounds cytosporones B, C, D, E and dothiorelones A, B, C, and H were isolated from the ascomycete fungus Cytospora sp. during a chemotaxonomic study of fungal endophytes belonging to the related genera Cytospora and Phomopsis from Brazil. The structures were determined by NMR spectroscopy and mass spectrometry. With exception of cytosporones D, E, Q, and dothiorelone B, all compounds were consistently detected in the metabolite profiles of eight Cytospora isolates investigated; and were also produced by a distinct chemotype of Phomopsis.     

Crystallization kinetics study on higher homologues of benzylidene aniline compounds: impact of phase variant on nucleation process

A systematic kinetic study leading to the crystallization process from the kinetophases (which occur prior to crystal phase) smectic B, crystal G and smectic F is performed on representative compounds of the homologous series p-phenylbenzylidene-p'-alkylanilines (PBnA) and p-n-alkoxybenzylidene-p'-alkylanilines (nO.m) these compounds are p-phenylbenzylidene-p'-nonylaniline (PB9A), p-phenylbenzylidene-p'-tetradecylaniline (PB14A), p-n-pentadecyloxybenzylidene p'-tetradecylaniline (15O.14) and p-n-octadecyloxybenzylidene-p'-nonylaniline (18O.9). The molecular mechanism and dimensionality in crystal growth from the kineto phases are computed from the Avrami equation, while the characteristic crystalline time (t*) at each crystallization temperature is deduced from the individual plots of log t vs. ΔH. The low magnitudes of the dimensionality parameter n infers the occurrence of diffusion-controlled transformations leading to the formation of plates or needles of finite size possessing impinged edges. The degree of variation in the value of n at each crystallization temperature also reveals the existence of an independent nucleation mechanism for any individual member of the series. The influence of the terminal alkyl chain lengths on the rate of crystallization is determined from a comparative study with the reported analogous compounds.     

Magnetic moments of (νi132)−n isomers in neutron-deficient lead isotopes

The magnetic moments of the 12⁺ isomers in ^{192, 196, 198, 200, 206}Pb and of the $\text{33}\text{2}{}^{\mathrm{+}}$ isomer in ²⁰⁵Pb have been measured using the PAD technique. The results for the g-factors are: g(192) = ?0.173(2), g(196) = ?0.1600(15), g(198) = ?0.1552(15), g(200) = ?0.1512(15), g(206) = ?0.1496(18), and g(205) = ?0.148(5). As all states have a rather pure $\text{(νi}{}_{\mathrm{<mtext>13</mtext><mtext>2</mtext>}}\text{)}{}^{\mathrm{?n}}$ configuration, the values reflect directly the $\text{νi}{}_{\mathrm{<mtext>13</mtext><mtext>2</mtext>}}$ orbital. They show a decrease towards the more neutron-deficient isotopes attributed to the reduced core polarisation as a result of decreasing occupation of the $\text{i}{}_{\mathrm{<mtext>13</mtext><mtext>2</mtext>}}$ neutron shell. The measured systematics are discussed regarding core polarisation, mesonic corrections, and small admixtures of core-excited states to the $\text{i}{}_{\mathrm{<mtext>13</mtext><mtext>2</mtext>}}$ wave function.     

Comparison of aqueous molecular dynamics with NMR relaxation and residual dipolar couplings favors internal motion in a mannose oligosaccharide.

An investigation has been performed to assess how aqueous dynamical simulations of flexible molecules can be compared against NMR data. The methodology compares state-of-the-art NMR data (residual dipolar coupling, NOESY, and (13)C relaxation) to molecular dynamics simulations in water over several nanoseconds. In contrast to many previous applications of residual dipolar coupling in structure investigations of biomolecules, the approach described here uses molecular dynamics simulations to provide a dynamic representation of the molecule. A mannose pentasaccharide, alpha-D-Manp-(1-->3)-alpha-D-Manp-(1-->3)-alpha-D-Manp-(1-->3)-alpha-D-Manp-(1-->2)-D-Manp, was chosen as the model compound for this study. The presence of alpha-linked mannan is common to many glycopeptides, and therefore an understanding of the structure and the dynamics of this molecule is of both chemical and biological importance. This paper sets out to address the following questions. (1) Are the single structures which have been used to interpret residual dipolar couplings a useful representation of this molecule? (2) If dynamic flexibility is included in a representation of the molecule, can relaxation and residual dipolar coupling data then be simultaneously satisfied? (3) Do aqueous molecular dynamics simulations provide a reasonable representation of the dynamics present in the molecule and its interaction with water? In summary, two aqueous molecular dynamics simulations, each of 20 ns, were computed. They were started from two distant conformations and both converged to one flexible ensemble. The measured residual dipolar couplings were in agreement with predictions made by averaging the whole ensemble and from a specific single structure selected from the ensemble. However, the inclusion of internal motion was necessary to rationalize the relaxation data. Therefore, it is proposed that although residual dipolar couplings can be interpreted as a single-structure, this may not be a correct interpretation of molecular conformation in light of other experimental data. Second, the methodology described here shows that the ensembles from aqueous molecular dynamics can be effectively tested against experimental data sets. In the simulation, significant conformational motion was observed at each of the linkages, and no evidence for intramolecular hydrogen bonds at either alpha(1-->2) or alpha(1-->3) linkages was found. This is in contrast to simulations of other linkages, such as beta(1-->4), which are often predicted to maintain intramolecular hydrogen bonds and are coincidentally predicted to have less conformational freedom in solution.     

Synthesis of indole based novel small molecules and their in vitro anti-proliferative effects on various cancer cell lines

Indole based novel small molecules were designed as potential anticancer agents. Multi step synthesis of these compounds was carried out by using Pd/C–Cu mediated coupling–cyclization strategy as a key step. The single crystal X-ray diffraction study was used to confirm the molecular structure of a representative compound unambiguously. Many of these compounds were evaluated for their anti-proliferative properties in vitro against six cancer cell lines as well as noncancerous cells. All these compounds showed selective growth inhibition of cancer cells and several of them were found to be promising with IC₅₀ values in the range of 0.1–1.2 μM, comparable to the known anticancer drug doxorubicin.     

Reabsorption in a neodymium fibre laser

Resonance absorption, the reabsorption of laser light by the laser transition of the dopant material itself, is found to be the limiting factor for fibre lasers when extremely long fibres are used. We report on measurements of the temperature dependence of the losses in a 8.5 m long commercial Nd³⁺ doped fibre (York, ND 95020/E). To determine the reabsorption losses, the threshold power has been measured as a function of temperature between 243 K and 413 K. The results are compared with theory assuming a ⁴l level energy of 2110 cm^-1 and an absorption cross-section of δ = 1.15 x 10^-20cm². The comparison shows that reabsorption from the thermally populated ⁴l level is the dominant contribution to the measured losses.     

Radiative strength functions in odd-A spherical nuclei

The radiative strength functions for the partial γ-transitions from neutron resonances to the ground and low-lying states of odd-A spherical nuclei are calculated within the quasiparticle-phonon nuclear model. The fragmentation of one-quasiparticle and quasiparticle-plus-phonon states is calculated. This allowed one to calculate γ-transitions between the one-quasi-particle components (valence transitions) and γ-transitions between the quasiparticle-plus-phonon and one-quasiparticle components of the wave functions. The energy dependence of the strength functions $\text{C}$(E1, η) and $\text{C}$(M1, η) is calculated near the neutron binding energy B_n for ⁵⁵Fe and ^{59, 61}Ni. The corresponding experimental data are described qualitatively. The contribution of the valence E1 transitions to the strength function is shown to be from 20% to 90%, and M1 transitions about 1%. The influence of the M1 giant resonance is important for M1 transition probabilities.