A quantum dynamical comparison of the electronic couplings derived from quantum electrodynamics and Förster theory:Application to 2D molecular aggregates

The objective of this study is to investigate under what circumstances Förster theory of electronic (resonance) energy transfer breaks down in molecular aggregates. This is achieved by simulating the dynamics of exciton diffusion, on the femtosecond timescale, in molecular aggregates using the Liouville–von Neumann equation of motion. Specifically the focus of this work is the investigation of both spatial and temporal deviations between exciton dynamics driven by electronic couplings calculated from Förster theory and those calculated from quantum electrodynamics. The quantum electrodynamics (QED) derived couplings contain medium- and far-zone terms that do not exist in Förster theory. The results of the simulations indicate that Förster coupling is valid when the dipole centres are within a few nanometres of one another. However, as the distance between the dipole centres increases from 2 nm to 10 nm, the intermediate- and far-zone coupling terms play non-negligible roles and Förster theory begins to break down. Interestingly, the simulations illustrate how contributions to the exciton dynamics from the intermediate- and far-zone coupling terms of QED are quickly washed-out by the near-zone mechanism of Förster theory for lattices comprising closely packed molecules. On the other hand, in the case of sparsely packed arrays, the exciton dynamics resulting from the different theories diverge within the 100 fs lifetime of the trajectories. These results could have implications for the application of spectroscopic ruler techniques as well as design principles relating to energy harvesting materials

Integrating Experiential Learning Into Business Courses: Using Learning Journals To Create Living Case Studies

Research demonstrates that the capacity to implement strategy and to execute plans drives business success (Hrebiniak, 2007) and that businesses’ inability to succeed by executing effectively arises from the ubiquitous incapacity of business professionals to overcome the gap between what they know and what they are actually able to do, whether personally or professionally (Pfeffer & Sutton, 2000). Research and experience also demonstrates that the capacity to execute is not primarily about operational or tactical skills.  Rather, it is more a “discipline to learn” (Bossidy, Charan & Burck, 2002; i.e., the capacity to execute is primarily a discipline of continuously learning to acquire, to interpret, and especially to apply information (Garvin, 2000) in a never-ending spiral of improvement. Business professionals must possess this capacity in order to succeed over the long-term. The purpose of business education is to prepare professionals for successful performance in businesses.  However, unlike the preparation of medical doctors and many other professionals, the education in most business schools remains more theoretical than experiential in the andragogy employed. Even the typical case study, like many instructional techniques used in business schools, is still relatively “theoretical” in that it is not a business experience in which the student is personally involved. This paper introduces an instructional method, the journal entry assignment, to help address the challenge of creating a more experiential education and preparation for business. This assignment enables students to “learn by doing” and, in effect, it creates a “living case study” experience for students

Boosting Higgs pair production in the bbˉbbˉb\bar{b}b\bar{b} final state with multivariate techniques

The measurement of Higgs pair production will be a cornerstone of the LHC program in the coming years. Double Higgs production provides a crucial window upon the mechanism of electroweak symmetry breaking and has a unique sensitivity to the Higgs trilinear coupling. We study the feasibility of a measurement of Higgs pair production in the $b\bar{b}b\bar{b}$ final state at the LHC. Our analysis is based on a combination of traditional cut-based methods with state-of-the-art multivariate techniques. We account for all relevant backgrounds, including the contributions from light and charm jet mis-identification, which are ultimately comparable in size to the irreducible $4b$ QCD background. We demonstrate the robustness of our analysis strategy in a high pileup environment. For an integrated luminosity of $\mathcal{L}=3$ ab$^{-1}$, a signal significance of $S/\sqrt{B}\simeq 3$ is obtained, indicating that the $b\bar{b}b\bar{b}$ final state alone could allow for the observation of double Higgs production at the High-Luminosity LHC.Comment: 47 pages, 22 figures. v2: updated references, added comparison of post-MVA kinematic distributions. v3: matches published version in EPJ

Public Awareness of the Nebraska Regional Poison Control Center

A Poison Control Center needs to continually update its impact on the community it serves. At the Nebraska Regional Poison Control Center, a telephone survey was performed to ascertain baseline data for ongoing poison awareness programs. Our data shows that 36.6% of the population would call the PCC in the case of acute poisoning. There is a need to stress that the PCC is not only a center for information but also for treatment at home. Distribution of the PCC phone number to be attached to the phone needs to be increased. Many people obtained the phone number through time consuming methods which would increase the anxiety of the caller. Despite past programs, 63.9% of the respondents were not familiar with Syrup of Ipecac, and overall out of 608, people, 91.1% did not have Syrup of Ipecac at home in case of poisoning. In distributing poison information to the public, the pre-school and other school programs seem to be very effective. Newspapers and television also are an integral part in distributing poison information. With the help of the networks and newspapers in devoting time and space to poison prevention more households can be reached. There is a need to involve the pharmacist in distribution of poison information. Being the major supplier of Syrup of Ipecac, pharmacists can take a more active role by always carrying Syrup of Ipecac, and displaying it so that patrons may be reminded that they should have it at home

Assessing Commitment and Reporting Fidelity to a Text Message-Based Participatory Surveillance in Rural Western Uganda.

Syndromic surveillance, the collection of symptom data from individuals prior to or in the absence of diagnosis, is used throughout the developed world to provide rapid indications of outbreaks and unusual patterns of disease. However, the low cost of syndromic surveillance also makes it highly attractive for the developing world. We present a case study of electronic participatory syndromic surveillance, using participant-mobile phones in a rural region of Western Uganda, which has a high infectious disease burden, and frequent local and regional outbreaks. Our platform uses text messages to encode a suite of symptoms, their associated durations, and household disease burden, and we explore the ability of participants to correctly encode their symptoms, with an average of 75.2% of symptom reports correctly formatted between the second and 11th reporting timeslots. Concomitantly we identify divisions between participants able to rapidly adjust to this unusually participatory style of data collection, and those few for whom the study proved more challenging. We then perform analyses of the resulting syndromic time series, examining the clustering of symptoms by time and household to identify patterns such as a tendency towards the within-household sharing of respiratory illness.National Institute of Health (Grant ID: TW009237)This is the final version of the article. It first appeared from the Public Library of Science via http://dx.doi.org/10.1371/journal.pone.015597

Explicitly correlated trial wave functions in Quantum Monte Carlo calculations of excited states of Be and Be-

We present a new form of explicitly correlated wave function whose parameters are mainly linear, to circumvent the problem of the optimization of a large number of non-linear parameters usually encountered with basis sets of explicitly correlated wave functions. With this trial wave function we succeeded in minimizing the energy instead of the variance of the local energy, as is more common in quantum Monte Carlo methods. We applied this wave function to the calculation of the energies of Be 3P (1s22p2) and Be- 4So (1s22p3) by variational and diffusion Monte Carlo methods. The results compare favorably with those obtained by different types of explicitly correlated trial wave functions already described in the literature. The energies obtained are improved with respect to the best variational ones found in literature, and within one standard deviation from the estimated non-relativistic limitsComment: 19 pages, no figures, submitted to J. Phys.

Ultrafast dynamics in light-driven molecular rotary motors probed by femtosecond stimulated raman spectroscopy

Photochemical isomerization in sterically crowded chiral alkenes is the driving force for molecular rotary motors in nanoscale machines. Here the excited state dynamics and structural evolution of the prototypical light driven rotary motor are followed on the ultrafast timescale by femtosecond stimulated Raman spectroscopy (FSRS) and transient absorption (TA). TA reveals a sub 100 fs blue shift and decay of the Franck-Condon bright state arising from relaxation along the reactive potential energy surface. The decay is accompanied by coherently excited vibrational dynamics which survive the excited state structural evolution. The ultrafast Franck-Condon bright state relaxation is to a dark excited state, which FSRS reveals to have a rich spectrum compared to the electronic ground state, with the most intense Raman active modes shifted to significantly lower wavenumber. This is discussed in terms of a reduced bond order of the central bridging bond and overall weakening of bonds in the dark state, which is supported by electronic structure calculations. The observed evolution in the FSRS spectrum is assigned to vibrational cooling accompanied by partitioning of the dark state between the product isomer and the original ground state. Formation of the product isomer is observed in real time by FSRS. It is formed vibrationally hot and cools over several picoseconds, completing the characterization of the light driven half of the photocycle

Perfectionism And Eating Disorders: Current Status And Future Directions

The literature examining the relation between perfectionism and eating disorders was reviewed and content and methodological comparisons were made with the perfectionism literature in anxiety disorders and depressive disorders. A PsychInfo search using the key words perfectionism/ perfect/ perfectionistic, anorexia, bulimia, and eating disorders was performed and the generated list of papers was supplemented based on a review of reference lists in the papers. A total of 55 papers published between 1990 and 2005 were identified that assessed perfectionism among individuals with diagnosed eating disorders. The key research questions were distilled from these publications and empirical findings were summarized for each question, followed by a comparison with perfectionism papers in the anxiety and depressive disorder literatures. Also, key research design methodological parameters were identified and comparisons made across the three literatures: eating disorders, anxiety disorders, depressive disorders. The current review concludes with conceptual and methodological recommendations for researchers interested in perfectionism and eating disorders

Robotics Platforms Incorporating Manipulators Having Common Joint Designs

Manipulators in accordance with various embodiments of the invention can be utilized to implement statically stable robots capable of both dexterous manipulation and versatile mobility. Manipulators in accordance with one embodiment of the invention include: an azimuth actuator; three elbow joints that each include two actuators that are offset to allow greater than 360 degree rotation of each joint; a first connecting structure that connects the azimuth actuator and a first of the three elbow joints; a second connecting structure that connects the first elbow joint and a second of the three elbow joints; a third connecting structure that connects the second elbow joint to a third of the three elbow joints; and an end-effector interface connected to the third of the three elbow joints

Gene mobility promotes the spread of resistance in bacterial populations

Theory predicts that horizontal gene transfer (HGT) expands the selective conditions under which genes spread in bacterial populations. Whereas vertically inherited genes can only spread by positively selected clonal expansion, mobile genetic elements can drive fixation of genes by infectious HGT. We tested this using populations of Pseudomonas fluorescens and the conjugative mercury resistance (Hg R) plasmid pQBR57. HGT expanded the selective conditions allowing the spread of Hg R: Chromosomal Hg R only increased in frequency under positive selection, whereas plasmid-encoded Hg R reached fixation with or without positive selection. Tracking plasmid dynamics over time revealed that the mode of Hg R inheritance varied across mercury environments. Under mercury selection, the spread of Hg R was driven primarily by clonal expansion while in the absence of mercury Hg R dynamics were dominated by infectious transfer. Thus, HGT is most likely to drive the spread of resistance genes in environments where resistance is useless