Nuclear magnetic resonance of intermetallic compounds Gd2Ni17−xAlx

²⁷Al Knight shifts vs temperature and magnetic susceptibility for the intermetallic compounds Gd₂Ni_17?xAl_x (x = 17; 16.2; 16; 15) are presented. The results are discussed in terms of the uniform polarization model fo the conduction electrons by the 4f and 3d spins localized on the Gd and Ni ions. The phenomenological exchange constants J_sf and J_sd range between ?1.80×10^?3 and 1.19×10^?3 eV and ?0.63×10^?3 and ?0.52×10^?3 eV, respectively.     

Iron homeostasis in neuronal cells: a role for IREG1

Background  

Iron is necessary for neuronal function but in excess generates neurodegeneration. Although most of the components of the iron homeostasis machinery have been described in neurons, little is known about the particulars of their iron homeostasis. In this work we characterized the response of SH-SY5Y neuroblastoma cells and hippocampal neurons to a model of progressive iron accumulation.     

Estimation of heavy-tailed probability density function with application to Web data

Summary  Common non-parametric estimators of a probability density function (PDF) show bad performance for heavy-tailed PDFs. Using a parametric approximation of the true cumulative distribution function (CDF), the transformation-retransformation of the data is explored here as a useful tool for the reliable PDF prediction. The PDF estimators are compared by their capacity to solve a classification problem. Simulation results and an application to Web data analysis are presented, too.     

Low-temperature IR and NMR studies of the interaction of group 8 metal dihydrides with alcohols

The reactions of the octahedral dihydrido complexes [MH(2)(PP(3))] [M=Fe, Ru, Os; PP(3)=P(CH(2)CH(2)PPh(2))(3)] with a variety of weak ROH acids have been studied by IR and NMR methods in either CH(2)Cl(2) or THF in the temperature range from 190 to 290 K. This study has allowed the determination of the spectral and thermodynamic properties associated with the formation of dihydrogen bonds (DHB) between the terminal hydrides and the OH group. Both the DHB enthalpy values and the hydride basicity factors (E(j)) have been found to increase in the order Fe < Ru < Os. The proton transfer process, leading to the DHB complexes, and eventually to eta(2)-H(2) products, has been found to depend on the acidic strength of the alcohol as well as the nature of the solvent. Low temperature IR and NMR techniques have been used to trace the complete energy profile of the proton transfer process involving the osmium complex [OsH(2)(PP(3))] with trifluoroethanol.     

Single Machine Scheduling of Unit-time Jobs with Controllable Release Dates

The paper presents a bicriterion approach to solve the single-machine scheduling problem in which the job release dates can be compressed while incurring additional costs. The two criteria are the makespan and the compression cost. For the case of equal job processing times, an O(n⁴) algorithm is developed to construct integer Pareto optimal points. We discuss how the algorithm developed can be modified to construct an -approximation of noninteger Pareto optimal points. The complexity status of the problem with total weighted completion time criterion is also established.     

Thermal properties of volatile ruthenium(III) complexes

Complexes of ruthenium(III) with the following beta-diketone derivatives: 2,4-pentanedione (Ru(acac)₃), 1,1,1,6,6,6-hexafluoro-2,4-pentanedione (Ru(hfac)₃), and 2-methoxy-2,6-dimethyl-3,5-heptanedione (Ru(mdhd)₃) were synthesized, purified, and identified by chemical analysis and melting points. By difference-scanning calorimetry (DSC) in vacuum the thermodynamic characteristics of melting processes were defined. Using the static method with quartz membrane zero-manometer, the temperature dependencies of saturated and unsaturated vapor pressure were obtained for Ru(hfac)₃. The standard thermodynamic characteristics of vaporization processes enthalpy ?H _T* and entropy ?S° _T* were determined.     

Correlation between thermodynamic stability of zinc(II)tetraphenylporphyrine complexes with neutral molecules and physicochemical properties of the coordinated ligands

The heats of interactions of zinc(II)tetraphenylporphyrine with 30 types of neutral molecules in benzene and carbon tetrachloride were measured using the calorimetric titration method. The thermodynamic characteristics of complex formation were calculated. The satisfactory multiparameter correlation of thermodynamic stability of the molecular complexes formed with physicochemical properties of the neutral molecules (electron pair donor ability, volume, electronic and orientational polarization) was obtained.     

Local forms of molecular mobility in copolymethacrylates containing side‐chain nonlinear optical chromophores

Local forms of molecular mobility of comb‐like random copolymethacrylates, containing side‐chain nonlinear optical chromophores and amyl‐ or octafluoroamyl‐groups, are studied. In the glassy state, two relaxation processes are found, which are due to reorientation of terminal polar groups (γ₂‐process) and rotation of chromophore groups about their long axes (β‐process). For octafluoroamyl‐containing copolymers, the γ₂‐process is superposition of the two molecular motions due to reorientation of terminal chromophore groups and ? CF₂H groups. The intensity and relaxation times in the range of the γ₂‐process depend on the chemical structure and concentration of chromophores in a copolymer. For the β‐process, the molecular mobility weakly depends on the chromophore structure, being mainly determined by the relative lengths of the rigid chromophore and flexible side chains. On the global spectrum of depolarization current it was observed the γ₁‐process due to reorientation of (CH₂)_n spacers between chromophore groups and copolymer backbone. © 2008 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 46: 1488–1496, 2008