Investigation of the oxohalogenide Cu4Te5O12Cl4 with weakly coupled Cu(II) tetrahedra

The crystal structure of the copper(II) tellurium(IV) oxochloride Cu$_{4}$Te$_{5}$O$_{12}$Cl$_{4}$ (Cu-45124) is composed of weakly coupled tetrahedral Cu clusters and shows crystallographic similarities with the intensively investigated compound Cu$_{2}$Te$_{2}$O$_{5}$X$_{2}$, with X~=~Cl, Br (Cu-2252). It differs from the latter by a larger separation of the tetrahedra within the crystallographic ab plane, that allows a more direct assignment of important inter-tetrahedra exchange paths and the existence of an inversion center. Magnetic susceptibility and specific heat evidence antiferromagnetic, frustrated correlations of the Cu spin moments and long range ordering with $T_{c}$=13.6 K. The entropy related to the transition is reduced due to quantum fluctuations. In Raman scattering a well structured low energy magnetic excitation is observed at energies of $\approx$50K (35cm$^{-1})$. This energy scale is reduced as compared to Cu-2252.Comment: 11 pages, 9 figures, further information see http://www.peter-lemmens.d

Band filling and interband scattering effects in MgB2_2: C vs Al doping

We argue, based on band structure calculations and Eliashberg theory, that the observed decrease of $T_c$ of Al and C doped MgB$_2$ samples can be understood mainly in terms of a band filling effect due to the electron doping by Al and C. A simple scaling of the electron-phonon coupling constant $\lambda$ by the variation of the density of states as function of electron doping is sufficient to capture the experimentally observed behavior. Further, we also explain the long standing open question of the experimental observation of a nearly constant $\pi$ gap as function of doping by a compensation of the effect of band filling and interband scattering. Both effects together generate a nearly constant $\pi$ gap and shift the merging point of both gaps to higher doping concentrations, resolving the discrepancy between experiment and theoretical predictions based on interband scattering only.Comment: accepted by PR

Glassy dynamics of polymethylphenylsiloxane in one- and two-dimensional nanometric confinement

Glassy dynamics of polymethylphenylsiloxane (PMPS) is studied by broadband dielectric spectroscopy in one-dimensional (1D) and two-dimensional (2D) nanometric confinement; the former is realized in thin polymer layers having thicknesses down to 5 nm, and the latter in unidirectional (thickness 50 µm) nanopores with diameters varying between 4 and 8 nm. Based on the dielectric measurements carried out in a broad spectral range at widely varying temperatures, glassy dynamics is analyzed in detail in 1D and in 2D confinements with the following results: (i) the segmental dynamics (dynamic glass transition) of PMPS in 1D confinement down to thicknesses of 5 nm is identical to the bulk in the mean relaxation rate and the width of the relaxation time distribution function; (ii) additionally a well separated surface induced relaxation is observed, being assigned to adsorption and desorption processes of polymer segments with the solid interface; (iii) in 2D confinement with native inner pore walls, the segmental dynamics shows a confinement effect, i.e., the smaller the pores are, the faster the segmental dynamics; on silanization, this dependence on the pore diameter vanishes, but the mean relaxation rate is still faster than in 1D confinement; (iv) in a 2D confinement, a pronounced surface induced relaxation process is found, the strength of which increases with the decreasing pore diameter; it can be fully removed by silanization of the inner pore walls; (v) the surface induced relaxation depends on its spectral position only negligibly on the pore diameter; (vi) comparing 1D and 2D confinements, the segmental dynamics in the latter is by about two orders of magnitude faster. All these findings can be comprehended by considering the density of the polymer; in 1D it is assumed to be the same as in the bulk, hence the dynamic glass transition is not altered; in 2D it is reduced due to a frustration of packaging resulting in a higher free volume, as proven by ortho-positronium annihilation lifetime spectroscopy

Mechanochemical Synthesis and Magnetic Characterization of Nanosized Cubic Spinel FeCr₂S₄ Particles

Nanosized samples of the cubic thiospinel FeCr2S4 were synthesized by ball milling of FeS and Cr2S3 precursors followed by a distinct temperature treatment between 500 and 800 °C. Depending on the applied temperature, volume weighted mean (Lvol) particle sizes of 56 nm (500 °C), 86 nm (600 °C), and 123 nm (800 °C) were obtained. All samples show a transition into the ferrimagnetic state at a Curie temperature TC of ∼ 167 K only slightly depending on the annealing temperature. Above TC, ferromagnetic spin clusters survive and Curie–Weiss behavior is observed only at T ≫ TC, with T depending on the heat treatments and the external magnetic field applied. Zero-field-cooled and field-cooled magnetic susceptibilities diverge significantly below TC in contrast to what is observed for conventionally solid-state-prepared polycrystalline samples. In the low-temperature region, all samples show a transition into the orbital ordered state at about 9 K, which is more pronounced for the samples heated to higher temperatures. This observation is a clear indication that the cation disorder is very low because a pronounced disorder would suppress this magnetic transition. The unusual magnetic properties of the samples at low temperatures and different external magnetic fields can be clearly related to different factors like structural microstrain and magnetocrystalline anisotropy

A bioinformatics perspective on proteomics: Data storage, analysis, and integration

The field of proteomics is advancing rapidly as a result of powerful new technologies and proteomics experiments yield a vast and increasing amount of information. Data regarding protein occurrence, abundance, identity, sequence, structure, properties, and interactions need to be stored. Currently, a common standard has not yet been established and open access to results is needed for further development of robust analysis algorithms. Databases for proteomics will evolve from pure storage into knowledge resources, providing a repository for information (meta-data) which is mainly not stored in simple flat files. This review will shed light on recent steps towards the generation of a common standard in proteomics data storage and integration, but is not meant to be a comprehensive overview of all available databases and tools in the proteomics community