389 research outputs found
Ground-state degeneracies leave recognizable topological scars in the one-particle density
In Kohn-Sham density functional theory (KS-DFT) a fictitious system of
non-interacting particles is constructed having the same ground-state (GS)
density as the physical system of interest. A fundamental open question in DFT
concerns the ability of an exact KS calculation to spot and characterize the GS
degeneracies in the physical system. In this article we provide theoretical
evidence suggesting that the GS density, as a function of position on a 2D
manifold of parameters affecting the external potential, is "topologically
scarred" in a distinct way by degeneracies. These scars are sufficiently
detailed to enable determination of the positions of degeneracies and even the
associated Berry phases. We conclude that an exact KS calculation can spot and
characterize the degeneracies of the physical system
On the estimation of time dependent lift of a European Starling during flapping
We study the role of unsteady lift in the context of flapping wings in birds'
flight. Both aerodynamicists and biologists attempt to address this subject,
yet it seems that the contribution of the unsteady lift still holds many open
questions. The current study deals with the estimation of unsteady aerodynamic
forces on a freely flying bird through analysis of wingbeat kinematics and near
wake flow measurements using time resolved particle image velocimetry. The
aerodynamic forces are obtained through unsteady thin airfoil theory and lift
calculation using the momentum equation for viscous flows. The unsteady lift is
comprised of circulatory and non-circulatory components. Both are presented
over wingbeat cycles. Using long sampling data, several wingbeat cycles have
been analyzed in order to cover the downstroke and upstroke phases. It appears
that the lift varies over the wingbeat cycle emphasizing its contribution to
the total lift and its role in power estimations. It is suggested that the
circulatory lift component cannot assumed to be negligible and should be
considered when estimating lift or power of birds in flapping motion
FORCE- AND POWER-TIME RELATIONSHIP,EMG RESPONSES IN CONCENTRIG AND ISOMETRIC CONDITIONS,EFFECTS OF TRAINING AND INDIVIDUAL CRARACTERISTICS
Introduction The relationship between EHG (temporal pattern, IEMG, power spectra ) and the biomechanical parameter in isometric and dynamic muscle tension represents an essential method in the analysis of the specificity of training effects and of the individual characteristics in motor control modelling and in practical motor learning. METHODS Force-time, power-time relationships under concentric and isometric conditions (MVC) with and without preloading were determined. For EHG purpose, surface electrodes (O= 5 mm; interelectrode distance 40 mm) were placed over the belly of each muscle (Tric.br.;Bic.br.; Delt.an.; Pect.ma.). Bipolar myoelectrical potentials were recorded with the passive electrode placed between the two actives: signals were preamplified and band-pass filtered (CMRRT 70 db, BP= 10 Hz- 1 KHz: Zin=1,5 MR. gain= 1000). EMG signals and the force were digitized on-line with a sampling frequency of 1000 Hz. For time structure analysis EMG signals were full-wave rectified and bandpass filtered (20-70 Hz) to obtain envelop curve patterns of each muscle. Power spectra analysis (median frequency MF) were performed using 1024 and pl2 data points. 3 groups (n=4) of sport students were involved in the investigation. Subjects performed a 8 week training period under different loading conditions. RESULTS # In the concentric tasks subjects show individual strategies in the muscular coordination patterns dependent on the load intensity. # Differences in the muscular interactivity pattern are not necessarily matching similar variation in the mechanical output. # For increasing loads there is a linear relationship between muscular activation level and mechanical power output. # In the power spectra, trends are consistent but also discontinuous. Median frequency could possibly indicate that some subjects have resources in motor units recruitment . # Other considerations are discussed referring to the muscular activation and the isometric MVC under preloading conditions
Quasiparticle spectra from a non-empirical optimally-tuned range-separated hybrid density functional
We present a method for obtaining outer valence quasiparticle excitation
energies from a DFT-based calculation, with accuracy that is comparable to that
of many-body perturbation theory within the GW approximation. The approach uses
a range-separated hybrid density functional, with asymptotically exact and
short-range fractional Fock exchange. The functional contains two parameters -
the range separation and the short-range Fock fraction. Both are determined
non-empirically, per system, based on satisfaction of exact physical
constraints for the ionization potential and many-electron self-interaction,
respectively. The accuracy of the method is demonstrated on four important
benchmark organic molecules: perylene, pentacene,
3,4,9,10-perylene-tetracarboxylic-dianydride (PTCDA) and
1,4,5,8-naphthalene-tetracarboxylic dianhydride (NTCDA). We envision that for
finite systems the approach could provide an inexpensive alternative to GW,
opening the door to the study of presently out of reach large-scale systems
Self-reported knee symptoms assessed by KOOS questionnaire in downhill runners (skyrunners)
Background: The knee is the weight-bearing joint most commonly associated with sports injuries, and therefore is most at risk of developing degenerative changes, including osteoarthritis. Skyrunners can be considered to be at risk of developing symptoms of post-traumatic osteoarthritis due to downhill running. Aim: The aim of this study was to analyze the health of the knee joints of a large group of these athletes via a specific self-report questionnaire. Methods: This study was carried out by asking the participants of seven official Skyraces (22.4±3.1 km length; 1596±393 m elevation) to fill out a questionnaire. Information regarding age, sex, downhill elevation (m) during training and competitions over the last month, and history of previous knee injury was also collected before the participants filled out the Knee injury and Osteoarthritis Outcome Score (KOOS), which is a reliable and validated instrument designed to assess patients' opinions about their knees and associated problems that can result in post-traumatic osteoarthritis. Athletes were divided into six age groups (from 17 to 70 years) and 12 groups based on the downhill gradient they had covered over the last month (from 1,000 to 40,000 m). Results: Six hundred twenty-one questionnaires were collected from 45% of the participants in the seven races. Multivariate analysis revealed that self-reported KOOS scores were unrelated to age, sex and monthly downhill gradient. Only 74 (12%) of the participants reported previous knee injuries. Significant differences in the five subscales of the KOOS were found between skyrunners with and without previous knee injuries (P<0.01). Conclusions: In the studied population, regular training for downhill running and participation in Skyraces could not be considered risk factors for subjective knee symptoms. Skyrunners with selfreported histories of knee injuries scored worse on all five subscales of the KOO
Compte-rendu et apport de la conférence-débat : "Nature, conditionnalité et verdissement de la PAC : un tournant wallon ?", 9 novembre 2011, Espace Senghor, Gembloux, Belgique
Proceedings of the conference: "Nature, conditionnalité et verdissement de la PAC : un tournant wallon ?". 9th November 2011. Espace Senghor, Gembloux, Belgium. Recently, the European Union (EU) proposed a reform project for the Common Agricultural Policy (CAP). One of the proposed reforms consists of imposing a set aside proportion of 7% of arable land for biodiversity support purposes. A conference on this proposal was held in Gembloux, Belgium, on 9th November 2011. Such a set aside system already exists in neighboring countries. The French and Swiss systems were presented at the conference in order to highlight their advantages and limitations. Scientific arguments underlying such policies were also presented. It was shown that the creation of semi-natural elements within the agricultural matrix is an efficient way to promote biodiversity. Both the quantity and the quality of these elements need to be considered. In addition, biodiversity is likely to provide services to agriculture, notably crop pollination and pest control. Currently, uncertainties remain regarding areas that are eligible to be designated as reaching the 7% threshold. However, based on the most probable scenarios, the current likely eligible areas cover only 4.3% of arable land in Wallonia. Less than 20% of Walloon farms already reach the 7% threshold proposed by the EU. If the European project is approved, it will therefore be of great importance to have some form of societal recognition afforded to farmers for their efforts. In order to optimize the positive effects of the policy on biodiversity, it is also imperative to ensure that a high level of biological quality is reached in the areas dedicated to biodiversity and to monitor this quality using clearly defined objectives. Economical, societal and environmental issues all need to be considered when applying this policy in order to improve agricultural sustainability and to stop the decline in biodiversity in agricultural landscapes
Family Belongingness Attenuates Entrapment and Buffers Its Association with Suicidal Ideation in a Sample of Dutch Sexual Minority Emerging Adults
Sexual minority emerging adults are more likely to engage in suicidal ideation than their heterosexual counterparts. Experiences of homophobic violence are associated with suicidal ideation. Yet, the specific mechanisms linking homophobic violence to suicidal ideation remain unclear. Entrapment and social belongingness were tested to determine their relevance for understanding the link between homophobic violence and suicidal ideation. A sample of sexual minority Dutch emerging adults (N = 675; ages 18–29, M = 21.93 years, SD = 3.20) were recruited through online platforms and flyers. Homophobic violence was expected to be positively associated with suicidal ideation and entrapment. The association between homophobic violence and suicidal ideation was expected to be indirectly linked through entrapment. We explored whether various sources of social belongingness moderated the path between entrapment and suicidal ideation and whether those sources of social belongingness moderated the indirect effect of homophobic violence on suicidal ideation through entrapment. Results showed that homophobic violence and entrapment were positively associated with suicidal ideation and that family belongingness was negatively associated with suicidal ideation. Homophobic violence and suicidal ideation were not indirectly linked through entrapment. The interaction effect between entrapment and family belongingness was significant, suggesting that, on average, the effect of entrapment on suicidal ideation decreased when family belongingness was high. These results suggest that family belongingness may reduce the association between entrapment and suicidal ideation while adjusting for homophonic violence. Reducing entrapment and improving family belongingness may be useful targets for programs aimed at preventing suicidal ideation among sexual minority emerging adults
Simple eigenvalue-self-consistent Δ ¯ G W 0 .
We show that a rigid scissors-like GW self-consistency approach, labeled here Δ ¯ G W 0 , can be trivially implemented at zero additional cost for large scale one-shot G 0 W 0 calculations. The method significantly improves one-shot G 0 W 0 and for large systems is very accurate. Δ ¯ G W 0 is similar in spirit to evGW 0 where the self-consistency is only applied on the eigenvalues entering Green's function, while both W and the eigenvectors of Green's function are held fixed. Δ ¯ G W 0 further assumes that the shift of the eigenvalues is rigid scissors-like so that all occupied states are shifted by the same amount and analogously for all the unoccupied states. We show that this results in a trivial modification of the time-dependent G 0 W 0 self-energy, enabling an a posteriori self-consistency cycle. The method is applicable for our recent stochastic-GW approach, thereby enabling self-consistent calculations for giant systems with thousands of electrons. The accuracy of Δ ¯ G W 0 increases with the system size. For molecules, it is up to 0.4-0.5 eV away from coupled-cluster single double triple (CCSD(T)), but for tetracene and hexacene, it matches the ionization energies from both CCSD(T) and evGW 0 to better than 0.05 eV. For solids, as exemplified here by periodic supercells of semiconductors and insulators with 6192 valence electrons, the method matches evGW 0 quite well and both methods are in good agreement with the experiment
Inflammatory and Adipose Response in Solid Organ Transplant Recipients After a Marathon Cycling Race
Abstract Background Organ transplant recipients frequently have chronic inflammation, with a weighty impact on cardiovascular risk. These patients can benefit from exercise, although the role of intense training is unclear. We evaluated the effect of a 130-km cycling race on inflammatory cytokines and adiponectin levels in transplant recipients. Methods Circulating interleukin (IL)-6, tumor necrosis factor (TNF)-α, interferon (IFN)-γ, and adiponectin were assayed in 35 healthy subjects vs 19 transplant recipients (10 kidney, 8 liver, 1 heart), matched for sex, age, body mass index, and preparation workout. The determinations were performed before the race, at the end, and after 18 to 24 hours. Baseline values of 32 sedentary transplant recipients also were evaluated to explore the possible chronic impact of lifestyle. Results All cyclists had 6- to 8-fold increased IL-6 levels after the race that decreased, without returning to baseline, the day after. Conversely, serum TNF-α and IFN-γ showed a progressive increase starting during physical performance and enduring for the next 18 to 24 hours in healthy subjects, whereas they were unchanged over time in cyclists with transplants. In transplant recipients who did not perform exercise, all of the analytes were significantly higher in comparison to basal levels of physically active subjects. Conclusions Our data suggest that clinically stable and properly trained transplant recipients can safely perform and progressively benefit from exercise, even at a competitive level. The changes in inflammation parameters were temporary and parallel with those of the healthy subjects. The comparison with sedentary transplant recipients revealed an overall amelioration of inflammatory indexes as a possible effect of regular physical activity on systemic inflammation
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