Synthesis and crystal structure of bis(di-n-butyldithiocarbamato)(1,10-phenanthroline)cadmium(II)

A new mixed-ligand complex, Cd(S₂CN(C₄H₉)₂)₂Phen, is synthesized and investigated by thermal, element, and IR analyses and by diffractometry of polycrystals (DRON-3M, CuK_α radiation, Ni filter). The crystal structure was determined on a CAD-4 Enraf-Nonius automatic diffractometer (MoK_α radiation, θ from 1.5 to 25?, 2325 nonzero independent reflections, 190 refined parameters, R = 0.036 for I > 2Σ(I)). Crystal data for C₃₀H₄₄CdN₄S₄ : a = 15.592(3), b = 22.724(5), c = 9.922(2) å, space group Pbcn, V = 3515.5(12) å₃, Z = 4, M = 701.33, d_calc = 1.325 g/cm³. The structure involves monomeric molecules in which the cadmium atom has a distorted octahedral environment.     

CIDEP spin probing of the nanopores in cotton

Time-resolved electron paramagnetic resonance (TREPR) experiments are reported on an α-hydroxy acetophenone in waterg-glycerol and ethanol-ethanediol mixtures over a viscosity range of 1–32 cP. The magnitude and viscosity dependence of the radical pair mechanism polarization is in good agreement with theory. The triplet mechanism polarization is found to increase with decreasing solvent polarity and this is ascribed to an increase in the α-cleavage rate constant. The liquid spectra are used to interpret TREPR spectra of the acetophenone in dry and wet cotton. In dry cotton anti-phase structure is seen and is due to some of the radical pairs being trapped in cages. The triplet and radical pair mechanism polarization shows that the acetophenone adsorbs to the apolar crystallite surface and releases radicals into the polar amorphous regions where they experience a microviscosity of approximately 30 cP. In wet cotton there are no cages and the viscosity is greater than in ethanol alone.     

Threshold electrical switching in As45Te55-xInx and As50Te50-xInx glasses

The electrical switching behaviour of As₄₅Te_55-xIn_x (5≤x≤15) and As₅₀Te_50-xIn_x (2.5≤x≤11.5) has been studied over a wide range of compositions. These glasses are found to exhibit threshold switching. The composition dependence of switching voltage (V_t) has been found to exhibit a change in slope and a local minimum at compositions x=10 and 12.5 for As₄₅Te_55-xIn_x and x=7.5 and 10.8 for As₅₀Te_50-xIn_x, respectively. The slope change in V_t verses x and the local minimum have been identified using two network topological effects, namely the rigidity percolation threshold and the chemical threshold. Received: 23 August 2001 / Accepted: 27 August 2001 / Published online: 11 February 2002     

Magnetic properties of mechanically alloyed Co–Ti powder

An amorphous phase containing traces of non-transformed Co and Ti powders was obtained by mechanical alloying nominal compositions of Co₆₇Ti₃₃ and Co₅₀Ti₅₀ in a high-energy ball-mill. These alloys were prepared from elemental powders of Co and Ti. The heat treatment of Co₆₇Ti₃₃ at 573, 873 and 1173 K crystallized nanoparticles of Co₂Ti and Co₃Ti compounds, while the same treatments conducted on Co₅₀Ti₅₀ resulted in the formation of Co₂Ti and CoTi nanoparticles. The saturation magnetizations reached a maximum value in the amorphous state and they decreased when the temperatures of the heat treatment rose. Demagnetizing interparticle interaction effects were estimated through hysteresis loops and initial magnetization curves using the Fourier technique.     

Magnetic resonance in beta-active nuclei 8Li at the doubled larmor frequency in LiF polycrystals containing dislocations

The nuclear magnetic resonance in beta-active nuclei ⁸Li at the doubled Larmor frequency in LiF polycrystals is studied before and after treating these polycrystals with an external pressure. A quantitative approach is proposed that makes it possible to calculate the parameters of the resonance line-shape function versus the dislocation structure of crystallites. Data suggesting that the samples under investigation that were subjected to a treatment with an external pressure develop dislocations whose Burgers vectors are parallel are obtained.     

Metrics of Homogeneous Spaces Admitting (3.1)-Type Complete Sets

A classification has been obtained for spaces which admit complete sets of motion integrals of the (3.1)-type and are spatially homogeneous. The metrics and Killing vectors have been found in explicit form for all types of these spaces. A classification by Bianchi is given for the spaces obtained.     

Barrier-free intermolecular proton transfer in the uracil-glycine complex induced by excess electron attachment

The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a π^* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT) from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the standard Watson-Crick pairing scheme. Received 6 April 2002 Published online 13 September 2002     

On the polarization interaction between two closely spaced conducting spheres in a uniform electrostatic field

An electrostatic interaction between two separate, grounded, uncharged, perfectly conducting spheres of different radii in a uniform electrostatic field is investigated. It is shown that at a small center-to-center distance of the spheres, the force of the polarization interaction between the spheres depends appreciably more weakly on that distance in comparison to the force of the electrostatic interaction of two elementary dipoles as it should be in view of the interaction between two like polarization charges.     

Propagation of mesons in asymmetric nuclear matter in a density-dependent coupling model

We study the propagation of the light mesons σ,ω,ρ, and a₀(980) in dense hadronic matter in an extended derivative scalar coupling model. Within the scheme proposed it is possible to unambiguously define effective density-dependent couplings at the Lagrangian level. We first apply the model to study asymmetric nuclear matter with fixed isospin asymmetry, and then we pay particular attention to hypermatter in β-equilibrium. The equation of state and the potential contribution to the symmetry coefficient arising from the mean-field approximation are investigated. Received: 16 October 2001 / Accepted: 10 January 2002     

Single chain force spectroscopy - Reading the sequence of HP protein models

We study the elastic properties of single A/B random copolymer chains, with a specific sequence and use them as theoretical model for so called HP proteins. HP proteins carry hydrophilic (P) and hydrophobic (H) monomers. We predict a rich structure in the force-extension relations which can be attributed to the information in the sequence. The variational method is used to probe local minima on the path of stretching and releasing for the chain molecules. At a given force, we find multiple configurations which are separated by energy barriers. A collapsed globular configuration consists of several domains which unravel cooperatively. Upon stretching, the unfolding path shows a stepwise pattern corresponding to the unfolding of each domain. While releasing, several cores can be created simultaneously in the middle of the chain, resulting in a different path of collapse. The long-range interactions and stiffness of the chain simplify the potential landscape given by the disorder in sequence. Received 5 March 2002 / Received in final form 16 May 2002 Published online 13 August 2002