Graphene on ferromagnetic surfaces and its functionalization with water and ammonia

Here we present an angle-resolved photoelectron spectroscopy (ARPES), x-ray absorption spec-troscopy (XAS), and density-functional theory (DFT) investigations of water and ammonia ad-sorption on graphene/Ni(111). Our results on graphene/Ni(111) reveal the existence of interface states, originating from the strong hybridization of the graphene {\pi} and spin-polarized Ni 3d valence band states. ARPES and XAS data of the H2O (NH3)/graphene/Ni(111) system give an information about the kind of interaction between adsorbed molecules and graphene on Ni(111). The presented experimental data are compared with the results obtained in the framework of the DFT approach.Comment: accepted in Nanoscale Research Letters; 16 pages, 4 figures, 2 table

Properties of contact matrices induced by pairwise interactions in proteins

The total conformational energy is assumed to consist of pairwise interaction energies between atoms or residues, each of which is expressed as a product of a conformation-dependent function (an element of a contact matrix, C-matrix) and a sequence-dependent energy parameter (an element of a contact energy matrix, E-matrix). Such pairwise interactions in proteins force native C-matrices to be in a relationship as if the interactions are a Go-like potential [N. Go, Annu. Rev. Biophys. Bioeng. 12. 183 (1983)] for the native C-matrix, because the lowest bound of the total energy function is equal to the total energy of the native conformation interacting in a Go-like pairwise potential. This relationship between C- and E-matrices corresponds to (a) a parallel relationship between the eigenvectors of the C- and E-matrices and a linear relationship between their eigenvalues, and (b) a parallel relationship between a contact number vector and the principal eigenvectors of the C- and E-matrices; the E-matrix is expanded in a series of eigenspaces with an additional constant term, which corresponds to a threshold of contact energy that approximately separates native contacts from non-native ones. These relationships are confirmed in 182 representatives from each family of the SCOP database by examining inner products between the principal eigenvector of the C-matrix, that of the E-matrix evaluated with a statistical contact potential, and a contact number vector. In addition, the spectral representation of C- and E-matrices reveals that pairwise residue-residue interactions, which depends only on the types of interacting amino acids but not on other residues in a protein, are insufficient and other interactions including residue connectivities and steric hindrance are needed to make native structures the unique lowest energy conformations.Comment: Errata in DOI:10.1103/PhysRevE.77.051910 has been corrected in the present versio

The χ2\chi^2 - divergence and Mixing times of quantum Markov processes

We introduce quantum versions of the $\chi^2$-divergence, provide a detailed analysis of their properties, and apply them in the investigation of mixing times of quantum Markov processes. An approach similar to the one presented in [1-3] for classical Markov chains is taken to bound the trace-distance from the steady state of a quantum processes. A strict spectral bound to the convergence rate can be given for time-discrete as well as for time-continuous quantum Markov processes. Furthermore the contractive behavior of the $\chi^2$-divergence under the action of a completely positive map is investigated and contrasted to the contraction of the trace norm. In this context we analyse different versions of quantum detailed balance and, finally, give a geometric conductance bound to the convergence rate for unital quantum Markov processes

Induced magnetism of carbon atoms at the graphene/Ni(111) interface

We report an element-specific investigation of electronic and magnetic properties of the graphene/Ni(111) system. Using magnetic circular dichroism, the occurrence of an induced magnetic moment of the carbon atoms in the graphene layer aligned parallel to the Ni 3d magnetization is observed. We attribute this magnetic moment to the strong hybridization between C $\pi$ and Ni 3d valence band states. The net magnetic moment of carbon in the graphene layer is estimated to be in the range of $0.05-0.1 \mu_B$ per atom.Comment: 10 pages, 3 figure

The effect of nose geometry on the aerothermodynamic environment of shuttle entry configurations

The effect was studied of nose geometry on the transition criteria for the windward boundary layer, on the extent of separation, on the heat transfer perturbation due to the canopy, and on the surface pressure and the heat transfer in the separated region. The data for each of these problems is analyzed. A literature review that concentrates on separation and the leeward flow-field is presented

Maximally entangled mixed states of two qubits

We consider mixed states of two qubits and show under which global unitary operations their entanglement is maximized. This leads to a class of states that is a generalization of the Bell states. Three measures of entanglement are considered: entanglement of formation, negativity and relative entropy of entanglement. Surprisingly all states that maximize one measure also maximize the others. We will give a complete characterization of these generalized Bell states and prove that these states for fixed eigenvalues are all equivalent under local unitary transformations. We will furthermore characterize all nearly entangled states closest to the maximally mixed state and derive a new lower bound on the volume of separable mixed states

Sex differences in the influence of body mass index on anatomical architecture of brain networks.

Background/objectivesThe brain has a central role in regulating ingestive behavior in obesity. Analogous to addiction behaviors, an imbalance in the processing of rewarding and salient stimuli results in maladaptive eating behaviors that override homeostatic needs. We performed network analysis based on graph theory to examine the association between body mass index (BMI) and network measures of integrity, information flow and global communication (centrality) in reward, salience and sensorimotor regions and to identify sex-related differences in these parameters.Subjects/methodsStructural and diffusion tensor imaging were obtained in a sample of 124 individuals (61 males and 63 females). Graph theory was applied to calculate anatomical network properties (centrality) for regions of the reward, salience and sensorimotor networks. General linear models with linear contrasts were performed to test for BMI and sex-related differences in measures of centrality, while controlling for age.ResultsIn both males and females, individuals with high BMI (obese and overweight) had greater anatomical centrality (greater connectivity) of reward (putamen) and salience (anterior insula) network regions. Sex differences were observed both in individuals with normal and elevated BMI. In individuals with high BMI, females compared to males showed greater centrality in reward (amygdala, hippocampus and nucleus accumbens) and salience (anterior mid-cingulate cortex) regions, while males compared to females had greater centrality in reward (putamen) and sensorimotor (posterior insula) regions.ConclusionsIn individuals with increased BMI, reward, salience and sensorimotor network regions are susceptible to topological restructuring in a sex-related manner. These findings highlight the influence of these regions on integrative processing of food-related stimuli and increased ingestive behavior in obesity, or in the influence of hedonic ingestion on brain topological restructuring. The observed sex differences emphasize the importance of considering sex differences in obesity pathophysiology