Electrical and dielectric properties of glass system NaPO3–KHSO4

Glass samples have been prepared in the NaPO₃–KHSO₄ binary system with the classical melting, casting and annealing steps. Electrical and dielectrical properties of glass samples were studied. Measurements of DC and AC conductivity and complex electrical permittivity of xNaPO₃–(100 ? x)KHSO₄ glass system were carried out at temperatures ranging from room temperature to temperature located 15 °C below glass transition temperature T_g. Results showed that changes of NaPO₃ concentration considerably affect values of observed parameters. DC conductivity of glass increases as NaPO₃ concentration grows until concentration x = 60. However, beyond this value a sharp decrease of DC conductivity was observed. In addition relaxation times showed abrupt changes at concentration x = 60, corresponding to the lowest relaxation times at the temperature 90 °C.     

High resolution atomic coherent control via spectral phase manipulation of an optical frequency comb

We demonstrate high resolution coherent control of cold atomic rubidium utilizing spectral phase manipulation of a femtosecond optical frequency comb. Transient coherent accumulation is directly manifested by the enhancement of signal amplitude and spectral resolution via the pulse number. The combination of frequency comb technology and spectral phase manipulation enables coherent control techniques to enter a new regime with natural linewidth resolution.     

Compactifications of Discrete Quantum Groups

Given a discrete quantum group we construct a Hopf -algebra which is a unital -subalgebra of the multiplier algebra of . The structure maps for are inherited from and thus the construction yields a compactification of which is analogous to the Bohr compactification of a locally compact group. This algebra has the expected universal property with respect to homomorphisms from multiplier Hopf algebras of compact type (and is therefore unique). This provides an easy proof of the fact that for a discrete quantum group with an infinite dimensional algebra the multiplier algebra is never a Hopf algebra.Partially supported by Komitet Badań Naukowych grants 2P03A04022 & 2P03A01324, the Foundation for Polish Science and Deutsche Forschungsgemeinschaft.     

On the Existence of Trace for Elements of \mathbb{C}_p

Let T be a transcendental element of and the orbit of T. On we have a Haar measure . The goal of this paper is to characterize all the elements of for which the integral , called the trace of T, is well defined.Presented by A. Verschoren     

SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules

We present SPOCK.CI, a selecting direct multireference spin-orbit configuration interaction (MRSOCI) program based on configuration state functions. It constitutes an extension of the spin-free density functional theory/multireference configuration interaction (DFT/MRCI) code by Grimme and Waletzke [J. Chem. Phys. 111, 5645 (1999)] and includes spin-orbit interaction on the same footing with electron correlation. Key features of SPOCK.CI are a fast determination of coupling coefficients between configuration state functions, the use of a nonempirical effective one-electron spin-orbit atomic mean-field Hamiltonian, the application of a resolution-of-the-identity approximation to computationally expensive spin-free four-index integrals, and the use of an efficient multiroot Davidson diagonalization scheme for the complex Hamiltonian matrix. SPOCK.CI can be run either in ab initio mode or as semiempirical procedure combined with density functional theory (DFT/MRSOCI). The application of these techniques and approximations makes it possible to compute spin-dependent properties of large molecules in ground and electronically excited states efficiently and with high confidence. Second-order properties such as phosphorescence rates are known to converge very slowly when evaluated perturbationally by sum-over-state approaches. We have investigated the performance of SPOCK.CI on these properties in three case studies on 4H-pyran-4-thione, dithiosuccinimide, and free-base porphin. In particular, we have studied the dependence of the computed phosphorescence lifetimes on various technical parameters of the MRSOCI wave function such as the size of the configuration space, selection of single excitations, diagonalization thresholds, etc. The results are compared to the outcome of extensive quasidegenerate perturbation theory (QDPT) calculations as well as experiment. In all three cases, the MRSOCI approach is found to be superior to the QDPT expansion and yields results in very good agreement with experimental findings. For molecules up to the size of free-base porphin, MRSOCI calculations can easily be run on a single-processor personal computer. Total CPU times for the evaluation of the electronic excitation spectrum and the phosphorescence lifetime of this molecule are below 40 h.     

Exploring and expanding the structural diversity of self-assembling dendrons through combinations of AB, constitutional isomeric AB2, and AB3 biphenyl-4-methyl ether building blocks

General, efficient and inexpensive methods for the synthesis of dendritic building blocks methyl 3',4'-dihydroxybiphenyl-4-carboxylate, 3',5'-dihydroxybiphenyl-4-carboxylate, and methyl 3',4',5'-trihydroxybiphenyl-4-carboxylate were elaborated. In all syntheses the major step involved an inexpensive Ni(II)-catalyzed Suzuki cross-coupling reaction. These three building blocks were employed together with methyl 4'-hydroxybiphenyl-4-carboxylate in a convergent iterative strategy to synthesize seven libraries containing up to three generations of 3',4'-, 3',5'-, and 3',4',5'-substituted biphenyl-4-methyl ether based amphiphilic dendrons. These dendrons self-assemble into supramolecular dendrimers that self-organize into periodic assemblies. Structural and retrostructural analysis of their assemblies demonstrated that these dendrons self-assemble into hollow and non-hollow supramolecular dendrimers exhibiting dimensions of up to twice those reported for architecturally related dendrons based on benzyl ether repeat units. These new dendrons expand the structural diversity and demonstrate the generality of the concept of self-assembling dendrons based on amphiphilic arylmethyl ethers.     

Electronically excited states of tryptamine and its microhydrated complex

The lowest electronically excited singlet states of tryptamine and the tryptamine (H2O)1 cluster have been studied, using time dependent density functional theory for determination of the geometries and multireference configuration interaction for the vertical and adiabatic excitation energies, the permanent dipole moments, and the transition dipole moment orientations. All molecular properties of the seven experimentally observed conformers of tryptamine could be reproduced with high accuracy. A strong solvent reorientation has been found upon electronic excitation of the 1:1 water cluster of tryptamine to the L(a) and L(b) states. The adiabatically lowest excited singlet state in case of the tryptamine monomer is the L(b) state, while for the 1:1 water complex, the L(a) is calculated below the L(b) state.     

Biomarkers of Aspergillus spores: Strain typing and protein identification

We applied both matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) mass spectrometric and 1D sodium dodecylsulfate polyacrylamide gel electrophoretic (1D-PAGE) approaches for direct analysis of intact fungal spores of twenty four Aspergillus species. In parallel, we optimized various protocols for protein extraction from Aspergillus spores using acidic conditions, step organic gradient and variable sonication treatment. The MALDI-TOF mass spectra obtained from optimally prepared samples provided a reproducible fingerprint demonstrating the capability of the MALDI-TOF approach to type and characterize different fungal strains within the Aspergillus genus. Mass spectra of intact fungal spores provided signals mostly below 20 kDa. The minimum material amount represented 0.3 μg (10,000 spores). Proteins with higher molecular weight were detected by 1D-PAGE. Eleven proteins were identified from three selected strains in the range 5–25 kDa by the proteomic approach. Hemolysin and hydrophobin have the highest relevance in host–pathogen interactions.     

Sheaves on abelian surfaces and strange duality

We formulate three versions of a strange duality conjecture for sections of the Theta bundles on the moduli spaces of sheaves on abelian surfaces. As supporting evidence, we check the equality of dimensions on dual moduli spaces, answering a question raised by Göttsche et al. (K-theoretic Donaldson invariants via instanton counting. arXiv:math/0611945).     

A Grothendieck-type theorem for the space of totally measurable functions

Let Σ be a σ-algebra of subsets of a non-empty set Ω. Let X be a real Banach space and let X^* stand for the Banach dual of X. Let B(Σ, X) be the Banach space of Σ-totally measurable functions f: Ω → X, and let B(Σ, X)^* and B(Σ, X)^** denote the Banach dual and the Banach bidual of B(Σ, X) respectively. Let bvca(Σ, X^*) denote the Banach space of all countably additive vector measures ν: Σ → X^* of bounded variation. We prove a form of generalized Vitali-Hahn-Saks theorem saying that relative σ(bvca(Σ, X^*), B(Σ, X))-sequential compactness in bvca(Σ, X^*) implies uniform countable additivity. We derive that if X reflexive, then every relatively σ(B(Σ, X)^*, B(Σ, X))-sequentially compact subset of B(Σ, X)_c^~ (= the σ-order continuous dual of B(Σ, X)) is relatively σ(B(Σ, X)^*, B(Σ, X)^**)-sequentially compact. As a consequence, we obtain a Grothendieck type theorem saying that σ(B(Σ, X)^*, B(Σ, X))-convergent sequences in B(Σ, X)_c^~ are σ(B(Σ, X)^*, B(Σ, X)^**)-convergent.