Positron lifetimes for neutron-irradiated C60

The neutron-irradiation effects on C₆₀ fullerite powder were studied by positron lifetime spectroscopy. Below 0.5 ns, a single lifetime of 382±1 ps was found for the unirradiated annealed sample and two components were resolved after neutron irradiation with a dose of 2×10¹⁶ n/cm². Possible origins of these components are briefly discussed.Paper presented at the 132nd WE-Heraeus-Seminar on Positron Studies of Semiconductor Defects, Halle, Germany, 29 August to 2 September 1994     

Nuclear analyses of the Pietroasa gold hoard

By means of nuclear analyses the concentrations of Au, Ag, Cu, Ir, Os, Pt, Co and Hg were measured in the 12 artifacts of the gold hoard discovered in 1837 at Pietroasa, Buzäu county in Romania. The concentrations of the first four elements were used to compare different stylistic groups assumed by historians. Comparisons with gold nuggets from the old Dacian territory and gold Roman imperial coins were also made. A good agreement was found with the oldest hypothesis which considers that the hoard is represented by three styles appropriated mainly by the Goths.     

Studies of lithium and sodium complexation by silicon podand solvents

The complex formation of lithium and sodium ions with silicon podand solvents: phenyl-tris(1,4-dioxapentyl) silane (PhSi23) and ethyl-tris(1,4-dioxapentyl) silane (EtSi23) has been studied by FTIR, ¹H-, ¹³C-, ⁷Li- and ²³Na NMR. The far FTIR spectra show that the Li⁺ cations fluctuate very fast whereas Na⁺ cations are still localised between the oxygen atoms of the oxaalkyl chains. The ⁷Li NMR spectra prove that one Li⁺ cation can be coordinated not only by one but also two silicon podand molecules. The concentration dependence of the molar conductivity of LiClO₄ in the podand solvents indicates charge transfer between ion clusters.     

Molecular recognition by β-cyclodextrin derivatives: molecular dynamics, free-energy perturbation and molecular mechanics/ Poisson–Boltzmann surface area goals and problems

 The complexation of p-tert-butylphenyl p-tert-butylbenzoate and N-(p-tert-butylphenyl)-p-tert-butylbenzamide with a β-cyclodextrin derivative formed by two cyclodextrin units linked by a disulfide bridge on one of the C6 atoms has been studied by computational methods. The better amide solubility and the better internal interactions of the ester complex explain the experimentally observed better association constant for the ester. The free-energy perturbation methodology and molecular mechanics/Poisson–Boltzmann surface area analysis have been used to explain the problem and to compare the results. Received: 14 April 2002 / Accepted: 11 August 2002 / Published online: 4 November 2002 Acknowledgements. The Kollman group at the University of California San Francisco is gratefully acknowledged for support and encouragement throughout all this study. The authors thank UAB for inland and outland fellowships to I.B.. Financial support was obtained from grant no. PPQ2000-0369 from the “Ministerio de Ciencia y Tecnologia” (Spain). Intensive computations were performed either with the computers of the Kollman group or with those of CESCA-C⁴ (Catalonia, Spain). Correspondence to: C. Jaime e-mail: carlos.jaime@uab.es     

Conductivity of Sodium Chloride in Water + 1,4-Dioxane Mixtures from 5 to 35°C II. Concentrated Solution

Conductivity data of sodium chloride in binary mixtures of water and 1,4-dioxanefrom 5 to 35°C were measured, covering an electrolyte concentration range upto the limit of solubility in the solvent mixtures and up to 5 mol-dm^–3 inpure water. Data analysis is based on the mean spherical approximation (MSA).Comparison is made with the data representation by the empirical Casteel-Amisequation. The association constants of the MSA are compared with those fromchemical model calculations at low concentrations (lcCM).     

Analysis of Wet Pressing of Paper: The Three-Phase Model. Part II: Compressible Air Case

In this study we consider a model of wet pressing of paper. We use the techniques and results from the first part of this paper, where a simplified model is studied in details. The model is, using suitable transformation, rewritten in the standard parabolic-hyperbolic form. Numerical solution for typical example is given and the effects of plastic deformations of paper are investigated. Finally, the model is employed to adres the problem of choosing an optimal pressing regime.