Uniaxial strain-induced Kohn anomaly and electron-phonon coupling in acoustic phonons of graphene

Recent advances in strain engineering at the nanoscale have shown the feasibility to modulate the properties of graphene. Although the electron-phonon (e-ph) coupling and Kohn anomalies in graphene define the phonon branches contributing to the resonance Raman scattering, and is relevant to the electronic and thermal transport as a scattering source, the evolution of the e-ph coupling as a function of strain has been less studied. In this work, the Kohn anomalies and the e-ph coupling in uniaxially strained graphene along armchair (AC) and zigzag (ZZ) directions were studied by means of density functional perturbation theory calculations. In addition to the phonon anomaly at the transversal optical (TO) phonon branch in the K point for pristine graphene, we found that uniaxial strain induces a discontinuity in the frequency derivative of the longitudinal acoustic (LA) phonon branch. This behavior corresponds to the emergence of a Kohn anomaly, as a consequence of a strain-enhanced e-ph coupling. Thus, the present results for uniaxially strained graphene contrast with the commonly assumed view that the e-ph coupling around the K point is only present in the TO phonon branch.Comment: Accepted for publication in Physical Review B (12 July 2016

Effects of Al doping on the structural and electronic properties of Mg(1-x)Al(x)B2

We have studied the structural and electronic properties of Mg(1-x)Al(x)B2 within the Virtual Crystal Approximation (VCA) by means of first-principles total-energy calculations. Results for the lattice parameters, the electronic band structure, and the Fermi surface as a function of Al doping for 0<x<0.6 are presented. The ab initio VCA calculations are in excellent agreement with the experimentally observed change in the lattice parameters of Al doped MgB2. The calculations show that the Fermi surface associated with holes a the boron planes collapses gradually with aluminum doping and vanishes for x=0.56. In addition, an abrupt topological change in the sigma-band Fermi surface was found for x=0.3. The calculated hole density correlates closely with existing experimental data for Tc(x), indicating that the observed loss of superconductivity in Mg(1-x)Al(x)B2 is a result of hole bands filling.Comment: 4 pages (revtex) and 4 figures (postscript

A “Soft” Approach to Analysing Mobile Financial Services Sociotechnical Systems

Advances in mobile computing have presented a huge opportunity to provide Mobile Financial Services (MFS) to half of the world’s population who currently do not have access to financial services. However, cybersecurity concerns in the mobile computing ecosystem have slowed down the adoption of MFS. The adoption of MFS is further hampered by the lack of a clear understanding of the interaction between the complex infrastructures and human factors that exist in the ecosystem for Mobile Financial Services Socio-Technical Systems (MFSSTS). This paper presents the work in progress of investigating the problem of MFSSTS. It discusses the preliminary results and understanding obtained from using Human Factor approaches to build and analyse the model for MFSSTS

Zeolite structures loading with an anticancer compound as drug delivery systems

The authors are thankful to Dr. A. S. Azevedo for collecting the powder diffraction data.Two different structures of zeolites, faujasite (FAU) and Linde type A (LTA), were studied to investigate their suitability for drug delivery systems (DDS). The zeolites in the sodium form (NaY and NaA) were used as hosts for encapsulation of α-cyano-4- hydroxycinnamic acid (CHC). CHC, an experimental anticancer drug, was encapsulated in both zeolites by diffusion in liquid phase. These new drug delivery systems, CHC@zeolite, were characterized by spectroscopic techniques (FTIR, 1H NMR, 13C and 27Al solidstate MAS NMR, and UV−vis), chemical analysis, powder X-ray diffraction (XRD) and scanning electron microscopy (SEM). The effect of the zeolites and CHC@zeolite drug deliveries on HCT-15 human colon carcinoma cell line viability was evaluated. Both zeolites alone revealed no toxicity to HCT-15 cancer cells. Importantly, CHC@zeolite exhibit an inhibition of cell viability up to 585-fold, when compared to the non-encapsulated drug. These results indicate the potential of the zeolites for drug loading and delivery into cancer cells to induce cell deathO.M. and R.A. are recipients of fellowships (SFRH/BD/36463/2007, SFRH/BI/51118/2010) from Fundação para a Ciência e a Tecnologia (FCT, Portugal). This work was supported by the FCT projects refs PEst-C/ QUI/UI0686/2011, PEst-C/CTM/LA0011/2011, and PTDC/ SAU-FCF/104347/2008, under the scope of “Programa Operacional Temático Factores de Competitividade” (COMPETE) of “Quadro Comunitário de Apoio III” and cofinanced by Fundo Comunitário Europeu FEDER, and the Centre of Chemistry and Life and Health Sciences Research Institute (University of Minho, Portugal)

Early predictors of impaired social functioning in male rhesus macaques (Macaca mulatta)

Autism spectrum disorder (ASD) is characterized by social cognition impairments but its basic disease mechanisms remain poorly understood. Progress has been impeded by the absence of animal models that manifest behavioral phenotypes relevant to ASD. Rhesus monkeys are an ideal model organism to address this barrier to progress. Like humans, rhesus monkeys are highly social, possess complex social cognition abilities, and exhibit pronounced individual differences in social functioning. Moreover, we have previously shown that Low-Social (LS) vs. High-Social (HS) adult male monkeys exhibit lower social motivation and poorer social skills. It is not known, however, when these social deficits first emerge. The goals of this study were to test whether juvenile LS and HS monkeys differed as infants in their ability to process social information, and whether infant social abilities predicted later social classification (i.e., LS vs. HS), in order to facilitate earlier identification of monkeys at risk for poor social outcomes. Social classification was determined for N = 25 LS and N = 25 HS male monkeys that were 1–4 years of age. As part of a colony-wide assessment, these monkeys had previously undergone, as infants, tests of face recognition memory and the ability to respond appropriately to conspecific social signals. Monkeys later identified as LS vs. HS showed impairments in recognizing familiar vs. novel faces and in the species-typical adaptive ability to gaze avert to scenes of conspecific aggression. Additionally, multivariate logistic regression using infant social ability measures perfectly predicted later social classification of all N = 50 monkeys. These findings suggest that an early capacity to process important social information may account for differences in rhesus monkeys’ motivation and competence to establish and maintain social relationships later in life. Further development of this model will facilitate identification of novel biological targets for intervention to improve social outcomes in at-risk young monkeys

A922 Sequential measurement of 1 hour creatinine clearance (1-CRCL) in critically ill patients at risk of acute kidney injury (AKI)

Meeting abstrac

Data assimilation in a system with two scales-combining two initialization techniques

11 pages, 11 figures, 1 tableFull-text version available Open Access at: http://clivar.iim.csic.es/?q=es/node/319An ensemble Kalman filter (EnKF) is used to assimilate data onto a non-linear chaotic model, coupling two kinds of variables. The first kind of variables of the system is characterized as large amplitude, slow, large scale, distributed in eight equally spaced locations around a circle. The second kind of variables are small amplitude, fast, and short scale, distributed in 256 equally spaced locations. Synthetic observations are obtained from the model and the observational error is proportional to their respective amplitudes. The performance of the EnKF is affected by differences in the spatial correlation scales of the variables being assimilated. This method allows the simultaneous assimilation of all the variables. The ensemble filter also allows assimilating only the large-scale variables, letting the small-scale variables to freely evolve. Assimilation of the large-scale variables together with a few small-scale variables significantly degrades the filter. These results are explained by the spurious correlations that arise from the sampled ensemble covariances. An alternative approach is to combine two different initialization techniques for the slow and fast variables. Here, the fast variables are initialized by restraining the evolution of the ensemble members, using a Newtonian relaxation toward the observed fast variables. Then, the usual ensemble analysis is used to assimilate the large-scale observationsThis study is supported by the Spanish National Science Program under contracts ESP2005–06823-C05 and ESP2007–65667-C04Peer reviewe

Extracranial-Intracranial Bypass Surgery for Stroke Prevention in Hemodynamic Cerebral Ischemia: The Carotid Occlusion Surgery Study Randomized Trial

Patients with symptomatic atherosclerotic internal carotid artery occlusion (AICAO) and hemodynamic cerebral ischemia are at high risk for subsequent stroke when treated medically

Anisotropic normal-state properties of the MgB2 superconductor

Based on the experimentally found existence of two gaps in MgB2 (one gap associated to the boron sigma-states and the other to the boron pi-states), the different contributions to the transport properties, electrical conductivity and Hall coefficient, were studied using the full potential-linearized augmented plane wave method and the generalized gradient approximation. MgB2 doping was analyzed in the rigid band approximation. This permitted the study of the partial substitution of magnesium for aluminium (Mg1-xAlxB2) as well as other substitutions such as AB2 (A=Be, Zr, Nb and Ta). The sigma-bands (boron sigma-states), which are associated to the large superconducting gap, are very anisotropic at EF, while the pi-bands have very little anisotropic character. In (Mg1-xAlxB2) Tc diminishes with Al content, the other compounds are not superconductors. In this work it was found that with electron doping, such as Al substitution, the sigma-band conductivity decreases and the corresponding bands become less anisotropic. sigma-band contribution for BeB2 and ScB2 at EF is very small and the anisotropy is much lower. For Zr, Nb and Ta there are no sigma-bands at EF. These results give a connection between superconductivity and the character of the sigma-band; band conductivity and band anisotropy. This gives a plausible explanation for the diminution of Tc with different doping of MgB2

Esophageal motility disorders on high-resolution manometry: Chicago classification version 4.0©

Chicago Classification v4.0 (CCv4.0) is the updated classification scheme for esophageal motility disorders using metrics from high-resolution manometry (HRM). Fifty-two diverse international experts separated into seven working subgroups utilized formal validated methodologies over two-years to develop CCv4.0. Key updates in CCv.4.0 consist of a more rigorous and expansive HRM protocol that incorporates supine and upright test positions as well as provocative testing, a refined definition of esophagogastric junction (EGJ) outflow obstruction (EGJOO), more stringent diagnostic criteria for ineffective esophageal motility and description of baseline EGJ metrics. Further, the CCv4.0 sought to define motility disorder diagnoses as conclusive and inconclusive based on associated symptoms, and findings on provocative testing as well as supportive testing with barium esophagram with tablet and/or functional lumen imaging probe. These changes attempt to minimize ambiguity in prior iterations of Chicago Classification and provide more standardized and rigorous criteria for patterns of disorders of peristalsis and obstruction at the EGJ