Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex

Multi-configurational Ehrenfest (MCE) approaches, which are intended to remedy the lack of correlations in the standard mean-field Ehrenfest method, have been proposed as coherent-state based ansatze for quantum propagation [D. V. Shalashilin, J. Chem. Phys. 130, 244101 (2009)] and also as the classical limit of the variational Gaussian-based multiconfiguration time dependent Hartree (G-MCTDH) method [S. Romer and I. Burghardt, Mol. Phys. 111, 3618 (2013)]. In the present paper, we establish the formal connection between these schemes and assess the performance of MCE for a coherent-state representation of the classical-limit subsystem. As a representative model system, we address the ultrafast, coherent charge transfer dynamics in an oligothiophene-fullerene donor acceptor complex described by a two-state linear vibronic coupling model. MCE calculations are compared with reference calculations performed with the MC IDH method, for 10-40 vibrational modes. Beyond a dimensionality of 10 modes, it is shown that the correct representation of electronic coherence depends crucially on the sampling of initially unoccupied Gaussians

Integration of New Technologies and Alternative Methods in Laboratory-Based Scenarios

In this study, we report a preliminary requirements analysis to recognize needs and possibilities for integrating new technologies and methods for lab-based learning in the field of Industry 4.0 and Internet of Things. To this aim, different scenarios, such as real, remote and virtual labs, are considered to be addressable within an integrated learning environment that focuses on alternative methods (i.e. Serious Games, Self-Regulated and Collaborative Learning) and new technologies (i.e. Open Badges, Mixed Reality and Learning Analytics). To support the design of the laboratory-based learning environment, qualitative interviews were conducted with both expert lecturers and relevant students in the field of engineering, to provide complementary perspectives. These interviews were carried out to analyze the requirements, and to identify possible benefits that relevant stakeholders expect by using these teaching and learning methods and technologies. A qualitative content analysis has been started on the interviews to define which is the perception of the new technologies and teaching methods. The different points of view about technologies and methods coming from expert lecturers’ and relevant students’ interviews are provided

Single Molecule Fluorescence Image Patterns Linked to Dipole Orientation and Axial Position: Application to Myosin Cross-Bridges in Muscle Fibers

Photoactivatable fluorescent probes developed specifically for single molecule detection extend advantages of single molecule imaging to high probe density regions of cells and tissues. They perform in the native biomolecule environment and have been used to detect both probe position and orientation.Fluorescence emission from a single photoactivated probe captured in an oil immersion, high numerical aperture objective, produces a spatial pattern on the detector that is a linear combination of 6 independent and distinct spatial basis patterns with weighting coefficients specifying emission dipole orientation. Basis patterns are tabulated for single photoactivated probes labeling myosin cross-bridges in a permeabilized muscle fiber undergoing total internal reflection illumination. Emitter proximity to the glass/aqueous interface at the coverslip implies the dipole near-field and dipole power normalization are significant affecters of the basis patterns. Other characteristics of the basis patterns are contributed by field polarization rotation with transmission through the microscope optics and refraction by the filter set. Pattern recognition utilized the generalized linear model, maximum likelihood fitting, for Poisson distributed uncertainties. This fitting method is more appropriate for treating low signal level photon counting data than χ(2) minimization.Results indicate that emission dipole orientation is measurable from the intensity image except for the ambiguity under dipole inversion. The advantage over an alternative method comparing two measured polarized emission intensities using an analyzing polarizer is that information in the intensity spatial distribution provides more constraints on fitted parameters and a single image provides all the information needed. Axial distance dependence in the emission pattern is also exploited to measure relative probe position near focus. Single molecule images from axial scanning fitted simultaneously boost orientation and axial resolution in simulation

Quantum Criticality in doped CePd_1-xRh_x Ferromagnet

CePd_1-xRh_x alloys exhibit a continuous evolution from ferromagnetism (T_C= 6.5 K) at x = 0 to a mixed valence (MV) state at x = 1. We have performed a detailed investigation on the suppression of the ferromagnetic (F) phase in this alloy using dc-(\chi_dc) and ac-susceptibility (\chi_ac), specific heat (C_m), resistivity (\rho) and thermal expansion (\beta) techniques. Our results show a continuous decrease of T_C (x) with negative curvature down to T_C = 3K at x*= 0.65, where a positive curvature takes over. Beyond x*, a cusp in cac is traced down to T_C* = 25 mK at x = 0.87, locating the critical concentration between x = 0.87 and 0.90. The quantum criticality of this region is recognized by the -log(T/T_0) dependence of C_m/T, which transforms into a T^-q (~0.5) one at x = 0.87. At high temperature, this system shows the onset of valence instability revealed by a deviation from Vegard's law (at x_V~0.75) and increasing hybridization effects on high temperature \chi_dc and \rho. Coincidentally, a Fermi liquid contribution to the specific heat arises from the MV component, which becomes dominant at the CeRh limit. In contrast to antiferromagnetic systems, no C_m/T flattening is observed for x > x_cr rather the mentioned power law divergence, which coincides with a change of sign of \beta. The coexistence of F and MV components and the sudden changes in the T dependencies are discussed in the context of randomly distributed magnetic and Kondo couplings.Comment: 11 pages, 11 figure

Ohio Conservation Plan: Plains gartersnake, Thamnophis radix

This plan outlines strategies and methods used in an ongoing study initiated in 1999 to restore a selfsustaining population of the Plains gartersnake (Thamnophis radix) in Ohio. Restoring a self-sustaining population would require increases in the current population to where the ratios of T. radix to T. sirtalis are approximately 1:1 in multiple locations in Killdeer Plains Wildlife Area (KPWA). This ratio would be similar to what was seen earlier by Reichenbach and Dalrymple (1986) at one site in KPWA. The plan was developed by a team of enthusiastic conservationists representing, the Division of Wildlife (ODW), the Columbus and Cleveland Zoos, Westerville North High School Field Study Class, Liberty University, Northern Illinois University, and the University of Tennessee. A thorough review of the plan will be made in 2012 with revisions and updates as needed

Using Administrative Data to Count Local Populations

There is growing evidence that official population statistics based on the decennial census are inaccurate at the local authority level—the fundamental administrative unit of the UK. This paper investigates the use of locally available administrative data sets for counting populations. The method uses truth tables for combining different data sources with different population coverage according to a defined and therefore replicable set of rules. The result is timelier and geographically more flexible data which is more cost-effective to produce than a survey-based census. Associated techniques for linking diverse data sources at individual and household level are briefly discussed. The methodology is then applied to administrative data from a London borough with about 170,000 people. The results are evaluated and compared with other population sources. The paper concludes by discussing potential improvements including scaling up the work to cover multiple local authorities. The practicalities of using alternative central government data sets are briefly considered. A sequel paper in this journal provides examples of key applications of this approach at local level

The potential therapeutic role of lymph node resection in epithelial ovarian cancer: a study of 13 918 patients

The aim of the study is to determine the role of lymphadenectomy in advanced epithelial ovarian cancer. The data were obtained from the Surveillance, Epidemiology and End Results (SEER) program reported between 1988 and 2001. Kaplan–Meier estimates and Cox proportional hazards regression models were used for analysis. Of 13 918 women with stage III–IV epithelial ovarian cancer (median age: 64 years), 87.9% were Caucasian, 5.6% African Americans, and 4.4% Asians. A total of 4260 (30.6%) underwent lymph node dissections with a median number of six nodes reported. For all patients, a more extensive lymph node dissection (0, 1, 2–5, 6–10, 11–20, and >20 nodes) was associated with an improved 5-year disease-specific survival of 26.1, 35.2, 42.6, 48.4, 47.5, and 47.8%, respectively (P<0.001). Of the stage IIIC patients with nodal metastases, the extent of nodal resection (1, 2–5, 6–10, 11–20, and >20 nodes) was associated with improved survivals of 36.9, 45.0, 47.8, 48.7, and 51.1%, respectively (P=0.023). On multivariate analysis, the extent of lymph node dissection and number of positive nodes were significant independent prognosticators after adjusting for age, year at diagnosis, stage, and grade of disease. The extent of lymphadenectomy is associated with an improved disease-specific survival of women with advanced epithelial ovarian cancer

SPONTANEOUS RECOVERY OF FLUORESCENCE BY PHOTOBLEACHED SURFACE-ADSORBED PROTEINS

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/73314/1/j.1751-1097.1995.tb05264.x.pd

Multiple human tracking in RGB-depth data: A survey

© The Institution of Engineering and Technology. Multiple human tracking (MHT) is a fundamental task in many computer vision applications. Appearance-based approaches, primarily formulated on RGB data, are constrained and affected by problems arising from occlusions and/or illumination variations. In recent years, the arrival of cheap RGB-depth devices has led to many new approaches to MHT, and many of these integrate colour and depth cues to improve each and every stage of the process. In this survey, the authors present the common processing pipeline of these methods and review their methodology based (a) on how they implement this pipeline and (b) on what role depth plays within each stage of it. They identify and introduce existing, publicly available, benchmark datasets and software resources that fuse colour and depth data for MHT. Finally, they present a brief comparative evaluation of the performance of those works that have applied their methods to these datasets

Dysfunctional play and dopamine physiology in the Fischer 344 rat

Juvenile Fischer 344 rats are known to be less playful than other inbred strains, although the neurobiological substrate(s) responsible for this phenotype is uncertain. In the present study, Fischer 344 rats were compared to the commonly used outbred Sprague-Dawley strain on several behavioral and physiological parameters in order to ascertain whether the lack of play may be related to compromised activity of brain dopamine (DA) systems. As expected, Fischer 344 rats were far less playful than Sprague-Dawley rats, with Fischer 344 rats less likely to initiate playful contacts with a playful partner and less likely to respond playfully to these contacts. We also found that Fischer 344 rats showed less of a startle response and greater pre-pulse inhibition (PPI), especially at higher prepulse intensities. The increase in PPI seen in the Fischer 344 rat could be due to reduced DA modulation of sensorimotor gating and neurochemical measures were consistent with Fischer 344 rats releasing less DA than Sprague-Dawley rats. Fast scan cyclic voltammetry (FSCV) revealed Fischer 344 rats had less evoked DA release in dorsal and ventral striatal brain slices and high-performance liquid chromatography revealed Fischer 344 rats to have less DA turnover in the striatum and prefrontal cortex. We also found DA-dependent forms of cortical plasticity were deficient in the striatum and prefrontal cortex of the Fischer 344 rat. Taken together, these data indicate that deficits in play and enhanced PPI of Fischer 344 rats may be due to reduced DA modulation of corticostriatal and mesolimbic/mesocortical circuits critical to the execution of these behaviors