138 research outputs found

    Path-integral virial estimator for reaction rate calculation based on the quantum instanton approximation

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    The quantum instanton approximation is a type of quantum transition state theory that calculates the chemical reaction rate using the reactive flux correlation function and its low order derivatives at time zero. Here we present several path-integral estimators for the latter quantities, which characterize the initial decay profile of the flux correlation function. As with the internal energy or heat capacity calculation, different estimators yield different variances (and therefore different convergence properties) in a Monte Carlo calculation. Here we obtain a virial-type estimator by using a coordinate scaling procedure rather than integration by parts, which allows more computational benefits. We also consider two different methods for treating the flux operator, i.e., local-path and global-path approaches, in which the latter achieves a smaller variance at the cost of using second-order potential derivatives. Numerical tests are performed for a one-dimensional Eckart barrier and a model proton transfer reaction in a polar solvent, which illustrates the reduced variance of the virial estimator over the corresponding thermodynamic estimator.Comment: 23 pages, 5 figures, 1 tabl

    Effect of supervised exercise on physical function and balance in patients with intermittent claudication

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    Background The aim of the study was to identify whether a standard supervised exercise programme (SEP) for patients with intermittent claudication improved specific measures of functional performance including balance. Methods A prospective observational study was performed at a single tertiary vascular centre. Patients with symptomatic intermittent claudication (Rutherford grades 1–3) were recruited to the study. Participants were assessed at baseline (before SEP) and 3, 6 and 12 months afterwards for markers of lower-limb ischaemia (treadmill walking distance and ankle : brachial pressure index), physical function (6-min walk, Timed Up and Go test, and Short Physical Performance Battery (SPPB) score), balance impairment using computerized dynamic posturography with the Sensory Organization Test (SOT), and quality of life (VascuQoL and Short Form 36). Results Fifty-one participants underwent SEP, which significantly improved initial treadmill walking distance (P = 0·001). Enrolment in a SEP also resulted in improvements in physical function as determined by 6-min maximum walking distance (P = 0·006), SPPB score (P < 0·001), and some domains of both generic (bodily pain, P = 0·025) and disease-specific (social domain, P = 0·039) quality of life. Significant improvements were also noted in balance, as determined by the SOT (P < 0·001). Conclusion Supervised exercise improves both physical function and balance impairment

    Survey for Transiting Extrasolar Planets in Stellar Systems IV: Variables in the Field of NGC 1245

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    The Survey for Transiting Extrasolar Planets in Stellar Systems (STEPSS) project is a search for planetary transits in open clusters. In this paper, we analyze the STEPSS observations of the open cluster NGC 1245 to determine the variable star content of the cluster. Out of 6787 stars observed with V < 22, of which ~870 are cluster members, we find 14 stars with clear intrinsic variability that are potential cluster members, and 29 clear variables that are not cluster members. None of these variables have been previously identified. We present light curves, finding charts, and stellar/photometric data on these variable objects. Several of the interacting binaries have estimated distances consistent with the cluster distance determined from isochrone fits to the color magnitude diagram. Four stars at the main sequence turnoff of the cluster have light curves consistent with gamma Doradus variability. If these gamma Doradus candidates are confirmed, they represent the oldest and coolest members of this class of variable discovered to date.Comment: 20 pages, 15 figures. Submitted to AJ. PDF version with full-resolution figures at http://www.astronomy.ohio-state.edu/~pepper/ms.pd

    Influence of pedaling technique on metabolic efficiency in elite cyclists

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    Our objective was to investigate the influence of pedaling technique on gross efficiency (GE) at various exercise intensities in twelve elite cyclists (V̇O 2max=75.7 ± 6.2 mL•kg -1•min -1). Each cyclist completed a V̇O 2max assessment, skinfold measurements, and an incremental test to determine their lactate threshold (LT) and onset of blood lactate accumulation (OBLA) values. The GE was determined during a three-phase incremental exercise test (below LT, at LT, and at OBLA). We did not find a significant relationship between pedaling technique and GE just below the LT. However, at the LT, there was a significant correlation between GE and mean torque and evenness of torque distribution (r=0.65 and r=0.66, respectively; p < 0.05). At OBLA, as the cadence frequency increased, the GE declined (r=-0.81, p < 0.05). These results suggest that exercise intensity plays an important role in the relationship between pedaling technique and GE

    Atomic beam splitter based on multiple adiabatic passage in the optical interference pattern

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    We describe a simple and robust method of creating an efficient large-angle adiabatic passage beamsplitter that does not require the light fields to be pulsed. We present simulations that show momentum splittings of 80 \hbar k, where more than 60% of the atoms in the initial distribution are in the final momentum peaks at +/- 40 \hbar k

    Impaired Self-Other Distinction and Subcortical Gray-Matter Alterations Characterize Socio-Cognitive Disturbances in Multiple Sclerosis

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    Introduction: Recent studies of patients with multiple sclerosis (MS) have revealed disturbances in distinct components of social cognition, such as impaired mentalizing and empathy. The present study investigated this socio-cognitive profile in MS patients in more detail, by examining their performance on tasks measuring more fundamental components of social cognition and any associated disruptions to gray-matter volume (GMV). Methods: We compared 43 patients with relapse-remitting MS with 43 age- and sex-matched healthy controls (HCs) on clinical characteristics (depression, fatigue), cognitive processing speed, and three aspects of low-level social cognition; specifically, imitative tendencies, visual perspective taking, and emotion recognition. Using voxel-based morphometry, we then explored relationships between GMV and these clinical and behavioral measures. Results: Patients exhibited significantly slower processing speed, poorer perspective taking, and less imitation compared with HCs. These impairments were related to reduced GMV throughout the putamen, thalami, and anterior insula, predominantly in the left hemisphere. Surprisingly, differences between the groups in emotion recognition were not significant. Conclusion: Less imitation and poorer perspective taking indicate a cognitive self-bias when faced with conflicting self- and other-representations. This suggests that impaired self-other distinction, and an associated subcortical pattern of GM atrophy, might underlie the socio-cognitive disturbances observed in MS

    Spatiotemporal and plantar pressure patterns of 1000 healthy individuals aged 3-101 years

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    Objective The purpose of this study was to establish normative reference values for spatiotemporal and plantar pressure parameters, and to investigate the influence of demographic, anthropometric and physical characteristics. Methods In 1000 healthy males and females aged 3–101 years, spatiotemporal and plantar pressure data were collected barefoot with the Zeno™ walkway and Emed® platform. Correlograms were developed to visualise the relationships between widely reported spatiotemporal and pressure variables with demographic (age, gender), anthropometric (height, mass, waist circumference) and physical characteristics (ankle strength, ankle range of motion, vibration perception) in children aged 3–9 years, adolescents aged 10–19 years, adults aged 20–59 years and older adults aged over 60 years. Results A comprehensive catalogue of 31 spatiotemporal and pressure variables were generated from 1000 healthy individuals. The key findings were that gait velocity was stable during adolescence and adulthood, while children and older adults walked at a comparable slower speed. Peak pressures increased during childhood to older adulthood. Children demonstrated highest peak pressures beneath the rearfoot whilst adolescents, adults and older adults demonstrated highest pressures at the forefoot. Main factors influencing spatiotemporal and pressure parameters were: increased age, height, body mass and waist circumference, as well as ankle dorsiflexion and plantarflexion strength. Conclusion This study has established whole of life normative reference values of widely used spatiotemporal and plantar pressure parameters, and revealed changes to be expected across the lifespan
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