The Gamow-Teller transitions in the96Pd→96Rh decay

Using the⁴⁰Ca(4.2 MeV/u) +⁶⁰Ni reaction and on-line mass separation, the decay properties of ₄₆ ⁹⁶ Pd₅₀ were reinvestigated. From a comparison of experimental and theoreticalβ ⁺/(EC +β ⁺) probability ratios, theQ _EC value was deduced to be 3,450 ± 150 keV. The strength was determined for four 0⁺→1⁺ Gamow-Teller beta transitions and found to be quenched as compared to predictions of the single-particle shell model. For⁹⁶Pd and⁹⁴Ru the sources of this quenching are discussed.     

Migdal-Kadanoff renormalization group for theO(n) model

We perform a Migdal-Kadanoff renormalization group calculation on anO(n) symmetric model on ad-dimensional hypercubic lattice,d=2, 3. We find that in two dimensions the critical fixed point disappears asn=n _KT1.96, which is in good agreement with the exact valuen _KT=2. In three dimensions the fixed point persists much longer, albeit not all the way up to infinity. Surface critical phenomena in a semiinfiniteO(n) model are also considered.     

Studies on radiative lifetimes in the 4d 10 ns2 S and 4d 10 nd 2 D sequences of neutral silver

We have performed lifetime measurements in the sequences of² S _1/2 and² D _3/2 states for the alkali-like 4d ¹⁰ ns,nd configurations of neutral silver. Selective stepwise excitations from the 4d ¹⁰ 5s ² S _1/2 ground state were performed using two pulsed dye lasers. Optical transients were recorded and evaluated with regard to the decay time. The lifetime results are compared with those of a theoretical study in which a model potential has been used to describe the polarisation of the 4d shell.     

Bicyclopropylidene radical cation: A rehybridization ring opening to tetramethyleneethane

A computational study has been undertaken to elucidate the mechanism of the bicyclopropylidene radical cation (BCP^?+) rearrangement into the tetramethyleneethane radical cation (TME^?+). A stepwise mechanism is found for the first ring opening, with an activation energy of 7.3 kcal mol^?1, while the second ring opening proceeds with no activation energy. Each ring opening is combined with a striking pyramidalization of one carbon atom in the central bond. In a natural bond orbital (NBO) analysis, the dominating reaction coordinate during the ring opening is found to be the olefinic carbon atom rehybridization, which also favors the continued bond breaking. Widely different ESR parameters are computed for the two sets of four protons in BCP^?+, in excellent agreement with the observed spectrum, which are interpreted in the NBO analysis in terms of two hyperconjugative effects. Two minimum energy structures are located for TME^?+, separated by a cusp on the internal rotation path of this cation, both of which show ESR parameters in good agreement with the observed spectrum for TME^?+. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004     

Configuration interaction satellites in the ESCA spectra of thorium and other actinide compounds

ESCA spectra of the Th 4d, 4f, 5s, 5p and 5d core levels have been recorded in ThF₄, Th(AcAc)₄ and other Th complexes. In addition to weak 4f and 5d satellites which are normally considered to be shake up satellites, a number of unusual satellites have been characterized in these compounds. In particular, the intense 5p_3/2 satellites, as well as previous similar 5p_{$\text{3}\text{2}$} satellites in other actinides, are shown to be due to configuration interaction of the 5p hole state with a 5d² hole state. Similarly, the 4d_{$\text{5}\text{2}$}, 5s and additional 5d satellites are probably also due to configuration interaction.     

Pseudoparaproteinemia Detected by CE due to Omnipaque™ Infusion: A Case Report

Serum or plasma protein electrophoresis is often performed in clinical laboratories to detect and monitor M-components. During the last decade, capillary electrophoresis (CE) has emerged as an interesting alternative to traditional analysis of serum, plasma and urine proteins by agarose gel electrophoresis. We here report a case of pseudoparaproteinemia detected by capillary electrophoresis after Omnipaque? (iohexol) infusion in a patient with normal kidney function. It is important for the laboratories to be aware of this source of erroneous results and not misclassify it as monoclonal gammopathies.     

Bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium radical cation: a theoretical validation of a bishomoaromatic radical cation intermediate

[structure: see text] A natural bond orbital analysis of the distonic bicyclo[2.2.1]hepta-2-ene-5-yl-7-ylium radical cation interprets its structure and radical character by a three-center two-electron bond between C2, C3, and C7 (a bishomoaromatic stabilization) and a singly occupied orbital on C5, n(5). Moreover, B3LYP/6-311+G(d,p) ESR parameters, which agree excellently with experiment, are interpreted in terms of spin polarization in the natural hybrids of sigma(C5-H5), and a dual hyperconjugative effect involving n(5), sigma(C1-H1a), sigma(C1-H1b), and antibonding counterparts.     

Shake-up satellites in x-ray photoelectron (ESCA) spectra of 5f0 Th(IV) compounds

X-ray photoelectron (ESCA) spectra of the Th 4f levels have been recorded in 12 Th compounds. Weak satellites are observed in all the 4f spectra at binding energies 4–6 eV from the primary photolines. On the basis of a multiple scattering calculation in ThO₂, these satellites are assigned to ligand (e.g. O 2p) to Th 5f shake-up transitions. As with La 3d satellites, the satellite intensities correlate well with the nephelauxetic order of ligands.     

CYTOCHROME P-450/420 IN PLANT PLASMA MEMBRANES: A POSSIBLE COMPONENT OF THE BLUE-LIGHT-REDUCIBLE FLAVOPROTEIN-CYTOCHROME COMPLEX*

Abstract— Carbon monoxide difference spectra and pyridine binding spectra indicate the presence of cytochrome P-450/420 in plasma membranes from cauliflower inflorescences. Mild lithium dodecylsulfate polyacrylamide gel electrophoresis shows only one heme staining band in the plasma membrane fraction at an apparent molecular weight of 93 kiloDalton. This band is suggested to be due to a cytochrome P-450/420 dimer, in view of the known molecular weights of animal cytochromes P-450/420. The plasma membrane-bound cytochrome P-450/420 is probably identical to the blue-light-reducible b-type cytochrome of plant plasma membranes, which has been inferred to have a role in photomorphogenesis.     

Atomic charges in the multiple scattering molecular orbital method

The concept of atomic charges in molecular orbital theory is discussed. A definition which pays special attention to the behaviour of the orbitals close to the atomic nuclei, is suggested. This new definition is particularly simple to apply in the multiple scattering method. Some transition metal complexes are considered as examples. The existence of the back donation effect is demonstrated for a series of octahedral cyanides.Supported by NFR, the Swedish Natural Science Research Council.