Decomposition of bipartite graphs into closed trails

Let Lct(G) denote the set of all lengths of closed trails that exist in an even graph G. A sequence (t ₁,..., t _p ) of elements of Lct(G) adding up to |E(G)| is G-realisable provided there is a sequence (T ₁,..., t _p ) of pairwise edge-disjoint closed trails in G such that T _i is of length T _i for i = 1,..., p. The graph G is arbitrarily decomposable into closed trails if all possible sequences are G-realisable. In the paper it is proved that if a ⩾ 1 is an odd integer and M _a,a is a perfect matching in K _a,a , then the graph K _a,a -M _a,a is arbitrarily decomposable into closed trails.      

Influence of dynamic brake pad properties on automotive disk brake squeal

Comparing different methods of characterizing dynamic properties of brake pad materials clearly shows, that those properties strongly depend on the boundary conditions as well as on amplitude and frequency in the excitation. Actually simulations of brake squeal suffer on the missing of correct material parameters identified under conditions relevant for squeal. The present paper gives inside into a method for the measurement and identification of linear and nonlinear brake pad material parameters identified under correct boundary conditions. (© 2011 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

On the mechanism of anion desorption from DNA induced by low energy electrons

Our knowledge of the mechanisms of radiation damage to DNA induced by secondary electrons is still very limited, mainly due to the large sizes of the system involved and the complexity of the interactions. To reduce the problem to its simplest form, we investigated specific electron interactions with one of the most simple model system of DNA, an oligonucleotide tetrameter compound of the four bases. We report anion desorption yields from a thin solid film of the oligonucleotide GCAT induced by the impact of 3-15 eV electrons. All observed anions (H-, O-, OH-, CN-, and OCN-) are produced by dissociative electron attachment to the molecule, which results in desorption peaks between 6 and 12 eV. Above 14 eV nonresonant dipolar dissociation dominates the desorption yields. By comparing the shapes and relative intensities of the anion yield functions from GCAT physisorbed on a tantalum substrate with those obtained from isolated DNA basic subunits (i.e., bases, deoxyribose, and phosphate groups) from either the gas phase or condensed phase experiments, it is possible to obtain more details on the mechanisms involved in low energy electron damage to DNA, particularly on those producing single strand breaks.     

Protein-cofactor interactions and EPR parameters for the Q(H) quinone binding site of quinol oxidase. A density functional study

Recent multifrequency EPR studies of the "high-affinity" quinone binding site of quinol oxidase (Q(H) site) have suggested a very asymmetric hydrogen-bonding environment for the semiquinone radical anion state. Single-sided hydrogen bonding to the O1 carbonyl position was one of the proposals, which contrasts with some previous experimental indications. Here density functional calculations of the EPR parameters (g-tensors, 13C, 1H, and 17O hyperfine tensors) for a wide variety of supermolecular model complexes have been used to provide insight into the detailed relations among structure, environment, and EPR parameters of ubisemiquinone radical anions. A single-sided binding model is not able to account for the experimentally observed low g(x) component of the g-tensor or for the observed magnitude of the asymmetry of the 13C carbonyl HFC tensors. Based on the detailed comparison between computation and experiment, a model with two hydrogen bonds to O1 and one hydrogen bond to O4 is suggested for the Q(H) site, but a model with one more hydrogen bond on each side cannot be excluded. Several general conclusions on the interrelations between EPR parameters and hydrogen bond patterns of ubisemiquinones in proteins are provided.     

Kinetic studies on H<Superscript>+</Superscript>-catalysed aquation of chromium(III)-oxalato-asparaginato and chromium(III)-oxalato-histidinato complexes

Three chromium(III) complexes with asparagine (Asn) and histidine (His) of the [Cr(ox)₂(Aa)]²⁻ type, where Aa = N,O–Asn, N,O–His or N,N′–His, were obtained and characterized in solution. The complexes with N,O–Aa undergo acid-catalysed aquation to give a free amino acid and cis-[Cr(ox)₂(H₂O)₂]⁻, whereas the complex with N,N′–His undergoes parallel reaction paths: (1) isomerization to the N,O–His complex and (2) liberation of an oxalate ligand. Kinetics of the N,O–Aa complexes in HClO₄ media were studied spectrophotometrically under pseudo-first-order conditions. The absorbance changes were attributed to the chelate ring opening at the Cr–N bond. The linear dependence of rate constants on [H⁺] was established, and a mechanism for the chelate ring cleavage was postulated. The existence of a metastable intermediate with O-monodentate Aa ligand was proved experimentally. Effect of [Cr(ox)₂(Aa)]²⁻ on 3T3 fibroblasts proliferation was studied. The tests revealed low cytotoxicity of the complexes. Complexes with Ala, His and Cys are good candidates for biochromium sources.     

Nondeterministic approach to tree-based jet substructure

Jet substructure is typically studied using clustering algorithms, such as k(T), which arrange the jets' constituents into trees. Instead of considering a single tree per jet, we propose that multiple trees should be considered, weighted by an appropriate metric. Then each jet in each event produces a distribution for an observable, rather than a single value. Advantages of this approach include (1) observables have significantly increased statistical stability, and (2) new observables, such as the variance of the distribution, provide new handles for signal and background discrimination. For example, we find that employing a set of trees substantially reduces the observed fluctuations in the pruned mass distribution, enhancing the likelihood of new particle discovery for a given integrated luminosity. Furthermore, the resulting pruned mass distributions for (background) QCD jets are found to be substantially wider than that for (signal) jets with intrinsic mass scales, e.g., boosted W jets. A cut on this width yields a substantial enhancement in significance relative to a cut on the standard pruned jet mass alone. In particular the luminosity needed for a given significance requirement decreases by a factor of 2 relative to standard pruning.     

Analysis of load transfer in thermo–elastic membranes

The flexural stiffness can be negligible in the analysis of extremely thin walled shell structures. Modeling these structures as membranes simplifies the theoretical formulation and reduces the computational effort. However, in case of compressive in–plane loads, the prediction of the load transition behavior by means of the membrane theory may be incorrect, if the wrinkling phenomenon is not taken into account. Therefore wrinkling algorithms were established in the past. Thermal strains influence the occurrence of wrinkling and the state of membrane forces. In order to analyze thermo-mechanical effects in conjunction with membrane wrinkling, the Roddeman wrinkling theory was modified. For small strains the incorporation of thermal effects into the wrinkling algorithm is straight forward. A method for large strains was developed and elaborated for thermoelastic rubber–like materials. The wrinkling algorithm is easy to implement into existing FE-programs. Results of numerical analysis are presented. (© 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Physicochemical,Antioxidant, Microstructural Properties and Bioaccessibility of Dark Chocolate with Plant Extracts

In this study, dark chocolates (DCh) containing zinc lactate (ZnL) were enriched with extracts from elderberries (EFrE), elderflowers (EFlE), and chokeberries (ChFrE) to improve their functional properties. Both dried plant extracts and chocolates were analyzed for antioxidant capacity (AC) using four different analytical methods: 2,2-diphenyl-1-picrylhydrazyl (DPPH), 2,2′-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS), cupric ion-reducing antioxidant capacity (CUPRAC), and ferric-reducing antioxidant power (FRAP), while total phenolic content (TPC) was determined by Folin–Ciocalteu (F–C) assay. An increase in antioxidant properties of fortified chocolates was found, and the bioaccessibility of their antioxidants was evaluated. The highest AC and TPC were found in ChFrE and chocolate with chokeberries (DCh + ChFrE) before and after simulated in vitro digestion. Bioaccessibility studies indicated that during the simulated digestion the AC of all chocolates reduced significantly, whereas insignificant differences in TPC results were observed between chemical and physiological extracts. Moreover, the influence of plant extracts on physicochemical parameters such as moisture content (MC), fat content (FC), and viscosity of chocolates was estimated. Furthermore, scanning electron microscopy with dispersive energy spectroscopy (SEM-EDS) was used to analyze surface properties and differences in the chemical composition of chocolates without and with additives.     

Fe-N-C catalysts for oxygen electroreduction under external magnetic fields:Reduction of magnetic O2 to nonmagnetic H2O

An extensive analysis of iron-nitrogen-carbon(Fe-N-C)electrocatalysts synthesis and activity is presented concerning synthesis conditions such as initial Fe content,pyrolysis temperature and atmosphere(inert N₂,reducing NH₃,oxidizing Cl₂ and their sequential combinations)and the influence of an external magnetic field on their performance in oxygen reduction reaction(ORR).Thermosetting porous polymers doped with FeCl₃ were utilized as the Fe-N-C catalysts precursors.The pyrolysis temperature was varied within a 700-900℃range.The temperature and atmosphere of pyrolysis strongly affect the porosity and compositi on of the resultant Fe-N-C catalysts,while the in itial amount of Fe precursor shows much weaker impact.Pyrolysis under NH₃ yields materials similar to those pyrolyzed under an inert atmosphere(N₂).In contrast,pyrolysis under Cl₂ yields carbon of peculiar character with highly disordered structure and extensive microporosity.The application of a static external magnetic field strongly enhances the ORR process(herein studied in an alkaline environment)and the enhancement correlates with the Fe content in the Fe-N-C catalysts.The Fe-N-C materials containing ferromagnetic iron phase embedded in N-doped microporous carbon constitute attractive catalysts for magnetic field-aided anion exchange membrane fuel cell technology.