Benchmarking calculations of excitonic couplings between bacteriochlorophylls

Excitonic couplings between (bacterio)chlorophyll molecules are necessary for simulating energy transport in photosynthetic complexes. Many techniques for calculating the couplings are in use, from the simple (but inaccurate) point-dipole approximation to fully quantum-chemical methods. We compared several approximations to determine their range of applicability, noting that the propagation of experimental uncertainties poses a fundamental limit on the achievable accuracy. In particular, the uncertainty in crystallographic coordinates yields an uncertainty of about 20% in the calculated couplings. Because quantum-chemical corrections are smaller than 20% in most biologically relevant cases, their considerable computational cost is rarely justified. We therefore recommend the electrostatic TrEsp method across the entire range of molecular separations and orientations because its cost is minimal and it generally agrees with quantum-chemical calculations to better than the geometric uncertainty. We also caution against computationally optimizing a crystal structure before calculating couplings, as it can lead to large, uncontrollable errors. Understanding the unavoidable uncertainties can guard against striving for unrealistic precision; at the same time, detailed benchmarks can allow important qualitative questions--which do not depend on the precise values of the simulation parameters--to be addressed with greater confidence about the conclusions

Critical Thinking Activities and the Enhancement of Ethical Awareness: An application of a ‘Rhetoric of Disruption’ to the undergraduate general education classroom

This article explores how critical thinking activities and assignments can function to enhance students’ ethical awareness and sense of civic responsibility. Employing Levinas’s Othercentered theory of ethics, Burke’s notion of ‘the paradox of substance’, and Murray’s concept of ‘a rhetoric of disruption’, this article explores the nature of critical thinking activities designed to have students question their (often taken-for-granted) moral assumptions and interrogate their (often unexamined) moral identities. This article argues that such critical thinking activities can trigger a metacognitive destabilization of subjectivity, understood as a dialectical prerequisite (along with exposure to otherness) for increased ethical awareness. This theoretical model is illustrated through a discussion of three sample classroom activities designed to destabilize moral assumptions and identity, thereby clearing the way for a heightened acknowledgment of otherness. In so doing, this article provides an alternative (and dialectically inverted) strategy for addressing one of the central goals of many General Education curricula: the development of ethical awareness and civic responsibility. Rather than introducing students to alternative perspectives and divergent cultures with the expectation that heightened moral awareness will follow, this article suggests classroom activities and course assignments aimed at disrupting moral subjectivity and creating an opening in which otherness can be more fully acknowledged and the diversity of our world more fully appreciated

Prolonged FGF signaling is necessary for lung and liver induction in Xenopus

BACKGROUND: FGF signaling plays numerous roles during organogenesis of the embryonic gut tube. Mouse explant studies suggest that different thresholds of FGF signaling from the cardiogenic mesoderm induce lung, liver, and pancreas lineages from the ventral foregut progenitor cells. The mechanisms that regulate FGF dose in vivo are unknown. Here we use Xenopus embryos to examine the hypothesis that a prolonged duration of FGF signaling from the mesoderm is required to induce foregut organs. RESULTS: We show that both mesoderm and FGF signaling are required for liver and lung development in Xenopus; formally demonstrating that this important step in organ induction is conserved with other vertebrate species. Prolonged contact with the mesoderm and persistent FGF signaling through both MEK and PI3K over an extended period of time are required for liver and lung specification. Inhibition of FGF signaling results in reduced liver and lung development, with a modest expansion of the pancreas/duodenum progenitor domain. Hyper-activation of FGF signaling has the opposite effect expanding liver and lung gene expression and repressing pancreatic markers. We show that FGF signaling is cell autonomously required in the endoderm and that a dominant negative FGF receptor decreases the ability of ventral foregut progenitor cells to contribute to the lung and liver buds. CONCLUSIONS: These results suggest that the liver and lungs are specified at progressively later times in development requiring mesoderm contact for different lengths of time. Our data suggest that this is achieved at least in part through prolonged FGF signaling. In addition to providing a foundation for further mechanistic studies on foregut organogenesis using the experimental advantages of the Xenopus system, these data have implications for the directed differentiation of stem cells into foregut lineages

Hercules X-1: Pulsed gamma-rays detected above 150 GeV

The 1.24 second binary pulsar Her X-1, first observed in X-rays in 1971 by UHURU has now been seen as a sporadic gamma ray source from 1 TeV up to at least 500 TeV. In addition, reprocessed optical and infrared pulses are seen from the companion star HZ Herculis. Thus measurements of the Her X-1/HZ Herculis system span 15 decades in energy, rivaling both the Crab pulsar and Cygnus X-3 in this respect for a discrete galactic source

Associations between overweight and obesity and risk factors for cardiovascular disease and fatty liver in young offenders serving community orders

Purpose: The health of young offenders supervised in the community has not been previously studied. This paper describes the prevalence of overweight, obesity and obesity associated cardiovascular and hepatic risk factors in a sample of young offenders supervised in the community in New South Wales, Australia. Methods: During 2003-2005, 802 (85% male) young offenders took part in a comprehensive health survey that included direct measurement of height and weight as well as blood sampling. Results: The prevalence of combined overweight and obesity was 33.7% in boys and 35.3% in girls; both rates were higher than those of a comparable community sample. Cardiovascular risk factor prevalence was extremely high compared with other published studies, with over 90% of boys and almost 80% of girls having low levels of HDL cholesterol, and over 40% of both boys and girls having elevated LDL cholesterol. Risk factors for fatty liver disease were also prevalent with almost 15% of boys, and 30% of girls having raised ALT suggesting hepatic cell injury. Cardiovascular and fatty liver disease risk factors were significantly associated with overweight and obesity among boys, but not girls in this sample. Young people of Aboriginal or Torres Strait Islander decent were at no greater risk than the rest of the population. Conclusions: Young offenders are among the most disadvantaged people in Australian society and are particularly vulnerable to a range of health problems. The high prevalence of risk factors represents a substantial health burden for these young people in early adulthood. Timely intervention is required to address the complex health needs of this under-served population

Illumination in symbiotic binary stars: Non-LTE photoionization models. II. Wind case

We describe a non-LTE photoionization code to calculate the wind structure and emergent spectrum of a red giant wind illuminated by the hot component of a symbiotic binary system. We consider spherically symmetric winds with several different velocity and temperature laws and derive predicted line fluxes as a function of the red giant mass loss rate, \mdot. Our models generally match observations of the symbiotic stars EG And and AG Peg for \mdot about 10^{-8} \msunyr to 10^{-7} \msunyr. The optically thick cross- section of the red giant wind as viewed from the hot component is a crucial parameter in these models. Winds with cross-sections of 2--3 red giant radii reproduce the observed fluxes, because the wind density is then high, about 10^9 cm^{-3}. Our models favor winds with acceleration regions that either lie far from the red giant photosphere or extend for 2--3 red giant radii.Comment: 51 pages, LaTeX including three tables, requires 15 Encapsulated Postscript figures, to appear in Ap

Evaluation of the Victorian Healthy Homes Program: protocol for a randomised controlled trial.

INTRODUCTION: The evaluation of the Victorian Healthy Homes Program (VHHP) will generate evidence about the efficacy and cost-effectiveness of home upgrades to improve thermal comfort, reduce energy use and produce health and economic benefits to vulnerable households in Victoria, Australia. METHODS AND ANALYSIS: The VHHP evaluation will use a staggered, parallel group clustered randomised controlled trial to test the home energy intervention in 1000 households. All households will receive the intervention either before (intervention group) or after (control group) winter (defined as 22 June to 21 September). The trial spans three winters with differing numbers of households in each cohort. The primary outcome is the mean difference in indoor average daily temperature between intervention and control households during the winter period. Secondary outcomes include household energy consumption and residential energy efficiency, self-reported respiratory symptoms, health-related quality of life, healthcare utilisation, absences from school/work and self-reported conditions within the home. Linear and logistic regression will be used to analyse the primary and secondary outcomes, controlling for clustering of households by area and the possible confounders of year and timing of intervention, to compare the treatment and control groups over the winter period. Economic evaluation will include a cost-effectiveness and cost-benefit analysis. ETHICS AND DISSEMINATION: Ethical approval was received from Victorian Department of Human Services Human Research Ethics Committee (reference number: 04/17), University of Technology Sydney Human Research Ethics Committee (reference number: ETH18-2273) and Australian Government Department of Veterans Affairs. Study results will be disseminated in a final report and peer-reviewed journals. TRIAL REGISTRATION NUMBER: ACTRN12618000160235