Analysis of electronically nonadiabatic chemical reactions: An information theoretic approach

A practical procedure for the determination of branching ratios for reactions which lead to either excited or electronically ground state products is outlined. The method is applied to four reactions which could (on energetic grounds) produce an electronically excited iodine atom. No case of a complete inversion is found, but one reaction (F + HI) is predicted to yield a statistical, (one half), I^*(²P_1/2) to I(²P_3/2) ratio.     

Iron-57 Mössbauer spectroscopy study of phases in the CaZrTi2−2x Nb x Fe x O7 zirconolite system

Materials of composition CaZrTi_2?2x Nb _x Fe _x O₇ with the fluorite-related zirconolite structure have been prepared. The ⁵⁷Fe Mössbauer spectra show that iron is initially located in the five co-ordinate cation sites. As the iron content increases the iron enters the octahedral sites until, at a composition CaZrTi_0.4Nb_0.8Fe_0.8O₇, ca. 50% of the iron is five co-ordinate and the remainder is located in the octahedral sites.     

Determination of anthocyanins in the urine of patients with colorectal liver metastases after administration of bilberry extract

Anthocyanins possess cancer chemopreventive properties in preclinical models. Their clinical pharmacology is only poorly understood. In this pilot study, anthocyanins and their metabolites were analysed in the urine of two patients with colorectal liver metastases. They received a single dose of 1.88 g standardized bilberry extract (mirtoselect) via either nasogastric or nasojejunal tube intra‐operatively during liver resection. HPLC‐MS/MS and HPLC‐UV analysis showed there were more anthocyanins and metabolites in the urine of the patient who received mirtoselect via the stomach than via the jejunum. This result is consistent with information obtained in rodents which suggests the stomach is the predominant site for anthocyanin absorption. Copyright © 2010 John Wiley & Sons, Ltd.     

Lewis acid-mediated addition of silylated methylenecyclopropane to aldehydes—synthesis of tetrahydrofuran derivatives

Lewis acid-mediated intermolecular addition of silylated methylenecyclopropane to aldehydes provides a novel route to tetrahydrofuran derivatives.     

A study of the oxidation of europium(II) sulphide by europium-151 Mössbauer spectroscopy

The oxidation of solid europium(II) sulphide under mild conditions has been examined by¹⁵¹Eu Mössbauer spectroscopy. The results show that europium(II) sulphide is remarkably stable to oxidation at 25°C and is only partially converted to Eu³⁺ after exposure to air for four days. Treatment in air at a temperature of 250°C for six hours induces a similar degree of oxidation. The mechanism and kinetics of oxidation of curopium(II) sulphide under mild conditions in the solid state are therefore non-trivial matters.     

Industrial Applications of Mössbauer Spectroscopy

Hyperfine Interactions - The historical development of the use of Mössbauer spectroscopy in industrial applications is briefly outlined. The power of the technique for the study of...     

The Structural Characterization of Tin- and Titanium-Dopedα-Fe2O3Prepared by Hydrothermal Synthesis

The structural characteristics of tin- and titanium-dopedα-Fe₂O₃prepared by hydrothermal methods have been investigated by Rietveld structure refinement of the X-ray powder diffraction data. The analysis reveals that the dopant ions adopt two distinct sites: in addition to partially substituting at the octahedral Fe sites, they also occupy the interstitial octahedral sites which are vacant in theα-Fe₂O₃structure. The structural model deduced involves clusters of three substituted cations and is rational in that it represents microstructural regions of the rutile structure within a matrix ofα-Fe₂O₃.     

Phase Transitions of Ruthenium-Doped Iron Oxide Studied by 57Fe Mössbauer Spectroscopy at Elevated Temperatures

Hyperfine Interactions - The 57Fe Mössbauer spectra recorded in situ from 5% ruthenium-doped maghemite show parameters typical for maghemite up to 600 K and a hyperfine field distribution...