Cross sections for 197Au(n, γ)198Au and 115In(n, γ)116mIn in the neutron energy region 2.0–7.7 MeV

The cross sections for the reactions ¹⁹⁷Au(n, γ)¹⁹⁸Au and ¹¹⁵In(n, γ)^116mIn have been measured with the activation method in the neutron energy region 2.0–7.7 MeV. The influence of background neutrons on the results was studied in considerable detail. The main problems are caused by low-energy neutrons produced by charged-particle reactions in the target material and secondary neutrons from nonelastic reactions in the sample and surrounding materials.The measured capture cross sections are generally lower than previous results and the deviation tends to increase with increasing neutron energy. The data are also compared with calculations based on the compound-nucleus model and quite good agreement is obtained.     

Statistics of numerically generated turbulence

This paper considers numerically generated turbulence obtained by integrating the complete time-dependent three-dimensional Navier-Stokes equations. The simulated unidirectional turbulent flow, bounded by two parallel planes, is strongly inhomogeneous in the direction normal to the planes but homogeneous in the parallel directions. The resulting flow field, which is considered a numerical realization of fully developed turbulent channel flow, contains detailed information on spatial coherent flow structures as well as on the time-dependency and statistics of the three-dimensional velocity and pressure fields. Focussing here on the statistics of the numerically generated turbulence, second-moments and higher-moments are presented and compared with the most recent PTV and LDV laboratory measurements. It is concluded that direct numerical simulations are an invaluable approach to turbulence which complements field studies and laboratory investigations. Numerical experiments are now becoming a principal source of detailed and reliable information, which play a key role in the deepening of our understanding of turbulent flow phenomena.     

Synthesis of a new amino acid based cross-linker for preparation of substrate selective acrylic polymers

The synthesis of N,O-bisacryloyl-L-phenylalaninol is described as well as its application in the preparation of a L-phenylalanine ethyl ester selective acrylic polymer.     

Study of some silver-thiol complexes and polymers: Stoichiometry and optical effects

The silver complexes of various thiols of low molecular weight have been studied by amperometric and spectrophotometric titrations. Cysteine and cysteamine form complexes with silver containing up to 1.5 Ag⁺/—SH. The ligands participating in the binding of silver are the —SH and amino groups. Under some conditions it was found that 1:1 thiol-silver polymers were formed. These polymers probably have the general structure ? Ag? S(R)? Ag? S(R)? . Some of them were prepared in pure form and subjected to various studies. Molecular weight determinations of the cysteine-silver and glutathione-silver polymers yielded values of 4000–7000 daltons. Studies on the UV absorption characteristics revealed that all of the polymers showed some type of regular band pattern. The cysteamine-silver polymer is able to sensitize photographic emulsions.     

Low energy electron diffraction from Na(110) and Na2O(111) surfaces

Surfaces ofNa(110) are grown, investigated and oxidised to give Na₂O(111) surfaces. LEED spectra are taken for these surfaces and compared with theory to determine the surface composition of sodium oxide: the surface terminates the crystal in an integral number of electrically neutral NaONa sandwiches, with a bulk-like inter layer spacing. The effective Debye temperature for the Na(110) surface was found to be 107 K.     

Study of the oxidative half‐reaction catalyzed by a non‐heme ferrous catalytic center by means of structural and computational methodologies

Deacetoxycephalosporin C synthase (DAOCS) is a mononuclear ferrous enzyme that catalyzes the expansion of the five‐membered thiazolidine ring of the penicillin nucleus into the six‐membered dihydrothiazine ring of the cephalosporins. In the first half‐reaction with dioxygen and 2‐oxoglutarate, a reactive iron–oxygen species is produced that can subsequently react with the penicillin substrate to yield the cephalosporin. We describe quantum mechanical calculations of the first part of the reaction based on the high‐resolution structures of the active site of DAOCS and its complexes with ligands. These studies are aimed at understanding how the reactive species can be produced and contained in the active site of the enzyme. The results demonstrate the priming of the active site by the co‐substrate for oxygen binding and hint to the presence of a stable iron–peroxo intermediate in equilibrium with a more reactive ferryl species and the formation of CO₂ as a leaving group by decarboxylation of 2‐oxoglutarate. A conclusion from these studies is that substitution of CO₂ by the penicillin substrate triggers the oxidation reaction in a booby‐trap‐like mechanism. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

A DFT exploration of the enantioselective rearrangement of cyclohexene oxide to cyclohexenol

In this paper, we present computational results for the (1S,3R,4R)-3-(pyrrolidinyl)-methyl-2-azabicyclo[2.2.1]heptane mediated rearrangement of cyclohexene oxide. The results nicely explain the differences in enantioselectivities between catalytic and stoichiometric mode between different ligands, and provides a rational for the identification of non-stereospecific background reactions as the major cause of decreased enantioselectivity in catalytic reactions for sterically hindered diamines.     

Acrylamide: update on selected research activities conducted by the European food and drink industry

This paper reviews the progress made by the European food and drink industry (CIAA) on acrylamide with regard to analytical methods, mechanisms of formation, and mitigation research in the major food categories. It is an update on the first CIAA review paper, "A Review of Acrylamide: An Industry Perspective on Research, Analysis, Formation and Control." Initial difficulties with the establishment of reliable analytical methods, in most cases, have now been overcome, but challenges remain in terms of the need to develop simple and rapid test methods and certified reference materials. Many trials have been conducted under laboratory and experimental conditions in a variety of foods, and a number of possible measures have been identified to relatively lower the amounts of acrylamide in food. Promising applications were studied in reconstituted potato models by addition of amino acids or use of asparaginase. In bakery wares, predictive models have been established to determine the role of ammonium carbonate and invert sugar in acrylamide formation. Studies in several commercial foods showed that acrylamide is not stable over time in roasted and ground coffee. Some progress in relatively lowering acrylamide in certain food categories has been achieved, but at this stage can only be considered marginal. Any options that are chosen to reduce acrylamide in commercial products must be technologically feasible and must not adversely affect the quality and safety of the final product.