A generalized electronic diabatic model applied to two-state reactions.

A generalized electronic diabatic model for chemical reactions includes a physical mechanism for the transition from a reactant-like to a product-like quantum state, namely, an external field. In our model, an external electric field couples states and modifies effective potential energy surfaces thereby allowing to treat a reaction as a fully quantum process. Through semi-classical models of two-state reactions, we show that we can control the identity of the most stable nuclear configuration by varying the form and intensity of the external field’s coupling potential. We group topologically equivalent potential energy curves in phase diagrams for a manifold of simple two-state models. We also illustrate the method’s implementation in a fully quantum-mechanical approach by considering two diabatic states in the radical HBN⇄BNH isomerization. To ensure diabaticity, these states are built on a grid of floating Gaussian orbitals and the potential energy curves are constructed by moving the nuclei.Master's These

Prescription Drug Abuse

This informative paper analyzed the prescription drug abuse epidemic among the adolescent population through a holistic lens. The prescription drug abuse epidemic has been identified as a national and community healthcare issue due to the harmful physiological effects and alarming death rates of adolescents in the United States. Current healthcare policies by the federal government, pharmaceutical companies, and various organizations were researched to show the progress made to counteract the epidemic; and possible consequences of these newly implemented policies were reviewed and scrutinized. In response to the prescription drug abuse epidemic, a physician accountability system was proposed as a potential solution. It was found that the collaborative effort of healthcare practitioners, along with new federal guidelines, will decrease access and availability of prescription drugs to adolescents. Therefore, decreasing the number of adolescents abusing prescription drugs in the United States

Preparing for offshore renewable energy development in the Mediterranean

The development of offshore wind farms and marine renewable energy devices in the Mediterranean is central to both national, and international, energy strategies for countries bordering the Mediterranean Sea. The ecological impacts of marine renewable energy development in the Mediterranean region, although essential for policy makers, are as yet unknown. The Northern Adriatic is identified as a plausible site for offshore wind farm development. Using the wider region (Adriatic and Northern Ionian) as a case study, this thesis examines the likely impact to the marine environment if an offshore wind farm is established. Site suitability, based on wind speed, bathymetry, and larvae connectivity levels are investigated along with the plausibility of the turbines operating as artificial reefs in the area. As offshore wind farms may alter the larval connectivity and supply dynamics of benthic populations, a connectivity map was constructed to identify areas of high and low connectivity in the Adriatic Sea. The Puglia coast of Italy is a likely larval sink, and displays some of the highest connectivity within the region, suggesting potential inputs of genetic materials from surrounding populations. Considering offshore wind farms could operate as artificial reefs, an in-situ pilot project was established to simulate the presence of wind turbines. Macroinvertebrates colonized the new substrata within the first few months but were lower in abundance when compared to a natural hard substrata environment. Time, turbine location, and the material used for turbine construction all affected the macro-invertebrate communities. In addition, fish abundances, and diversity were lower around the simulated OWF foundations in comparison to a natural hard substrata environment, and no increases in fish abundance occurred around the simulated turbines when compared to reference sites of soft substrata. This observation was validated with the use of an ecosystem modelling software (Ecopath with Ecosim), which simulated the overall ecosystem level impacts that would occur if 50 offshore monopile wind turbines were introduced to the Northern Ionian and colonized by macroinvertebrate communities. When compared to the baseline scenario (no simulated introduction of an OWF), the introduction of new habitat had no discernible impacts to the structure or functioning of the marine ecosystem. Noticeable changes to the ecosystem were only apparent if fishing restrictions were enforced in parallel with the simulated offshore wind farm; the ecosystem appears to become more structured by top down predation. In addition seabirds are also impacted by the reduction of fishing discards as a food source. These results are the first attempt to quantify the suspected benefits of offshore wind farms operating as de-facto marine protected areas.Hellenic Centre for Marine Researc

Experiences of dysphagia after stroke: an interview study of stroke survivors and their informal caregivers

(1) Background: Swallowing difficulties (dysphagia) after stroke are not uncommon and is a consistent risk factor for stroke-associated pneumonia. This interview study explores the perspectives of stroke survivors, who had their swallowing assessed in the first few days of admission to hospital, and their informal caregivers. (2) Methods: A participatory approach was used involving people affected by stroke in the interpretation and analysis of the interview data. Data was thematically analysed and six themes were identified. (3) Results: These themes included how past-future experiences may influence a person’s emotional response to events; understanding what is happening and adjustment; the impact of dysphagia; attitudes to care; communication to patients and procedural issues. (4) Conclusion: The findings highlight the importance of effective public health messages to improve people’s responsiveness to the signs of stroke, standardisation of assessment and management procedures, effective communication to patients about the consequences of dysphagia, and the impact of dysphagia on the person who had the stroke and their informal caregiver

Modeling Galactic Conformity with the Color-Halo Age Relation in the Illustris Simulation

Comparisons between observational surveys and galaxy formation models find that the mass of dark matter haloes can largely explain galaxies' stellar mass. However, it remains uncertain whether additional environmental variables, generally referred to as assembly bias, are necessary to explain other galaxy properties. We use the Illustris Simulation to investigate the role of assembly bias in producing galactic conformity by considering 18,000 galaxies with $M_{stellar}$ > $2 \times 10^9$ $M_{\odot}$. We find a significant signal of galactic conformity: out to distances of about 10 Mpc, the mean red fraction of galaxies around redder galaxies is higher than around bluer galaxies at fixed stellar mass. Dark matter haloes exhibit an analogous conformity signal, in which the fraction of haloes formed at earlier times (old haloes) is higher around old haloes than around younger ones at fixed halo mass. A plausible interpretation of galactic conformity can be given as a combination of the halo conformity signal with the galaxy color-halo age relation: at fixed stellar mass, particularly toward the low-mass end, Illustris' galaxy colors correlate with halo age, with the reddest galaxies (often satellites) being preferentially found in the oldest haloes. In fact, we can explain the galactic conformity effect with a simple semi-empirical model, by assigning stellar mass based on halo mass (abundance matching) and by assigning galaxy color based on halo age (age matching). We investigate other interpretations for the galactic conformity, particularly its dependence on the isolation criterion and on the central-satellite information. Regarding comparison to observations, we conclude that the adopted selection/isolation criteria, projection effects, and stacking techniques can have a significant impact on the measured amplitude of the conformity signal.Comment: 15 pages, 8 figures; accepted for publication in MNRAS (minor revisions to match accepted version

Rme-8 depletion perturbs Notch recycling and predisposes to pathogenic signaling.

Notch signaling is a major regulator of cell fate, proliferation, and differentiation. Like other signaling pathways, its activity is strongly influenced by intracellular trafficking. Besides contributing to signal activation and down-regulation, differential fluxes between trafficking routes can cause aberrant Notch pathway activation. Investigating the function of the retromer-associated DNAJ protein Rme-8 in vivo, we demonstrate a critical role in regulating Notch receptor recycling. In the absence of Rme-8, Notch accumulated in enlarged tubulated Rab4-positive endosomes, and as a consequence, signaling was compromised. Strikingly, when the retromer component Vps26 was depleted at the same time, Notch no longer accumulated and instead was ectopically activated. Likewise, depletion of ESCRT-0 components Hrs or Stam in combination with Rme-8 also led to high levels of ectopic Notch activity. Together, these results highlight the importance of Rme-8 in coordinating normal endocytic recycling route and reveal that its absence predisposes toward conditions in which pathological Notch signaling can occur.This work was funded by an MRC programme grant [G0800034] to SJB. LAS was the recipient of a BBSRC PhD studentship. ES and TK were funded by the DFG [Sachbeihilfe KL 1028/5-­1].This is the author accepted manuscript. The final version is available from Rockefeller University Press via http://dx.doi.org/10.1083/jcb.20141100

Healthcare Utilization of Individuals with Opiate Use Disorders: An Analysis of Integrated Medicaid and State Mental Health/Substance Abuse Agency Data

Data from the Substance Abuse and Mental Health Services Administration’s Integrated Database (IDB) were used to examine the service use patterns of individuals with possible opiate use disorders in Washington State. Results indicate that regardless of Medicaid enrollment status, individuals who received mental health (MH) or substance abuse (SA) services only through state agencies received no inpatient substance abuse service. Furthermore, when compared with individuals who received at least one MH/SA service through Medicaid, those who received services only through the state agencies were less likely to have received any MH services and were more likely to have received residential SA services. This analysis highlights the importance of using integrated client data in providing a more comprehensive understanding of services to inform policy and raises significant questions about how regulatory requirements affecting different funding mechanisms might drive settings of care in ways not related to the care needed