The free energy difference between 3-point water models

This paper describes precise calculations to determine the free energy differences between 3-point models of liquid water, using the method of thermodynamic integration and molecular dynamics. For the three models considered in this study the order of thermodynamic stability at 300 K and 1 atm pressure is SPC/E > SPC > TIP3P. The magnitudes of these stabilities are quantified and an estimate of the precision of the values is made

Early childhood nutrition and academic achievement

Early childhood nutrition is thought to be an important input into subsequent academic achievement. This paper investigates the nutrition-learning nexus using a unique longitudinal data set, which follows a large sample of Philippine children from birth until the end of their primary education. We find that malnourished children perform more poorly in school, even after correcting for the effects of unobserved heterogeneity both across and within households. Part of the advantage that well-nourished children enjoy arises from the fact that they enter school earlier and thus have more time to learn. The rest of their advantage appears to stem from greater learning productivity per year of schooling rather than from greater learning effort in the form of homework time, school attendance, and so forth. Despite these findings, our analysis suggests that the relationship between nutrition and learning is not likely to be of overriding importance either for nutrition policy or in accounting for economic growth.Gender ,households ,Human Nutrition. ,Malnutrition in children. ,Education, Primary Philippines. ,Philippines. ,

Structural Neuroimaging of Anorexia Nervosa: Future Directions in the Quest for Mechanisms Underlying Dynamic Alterations.

Anorexia nervosa (AN) is a serious eating disorder characterized by self-starvation and extreme weight loss. Pseudoatrophic brain changes are often readily visible in individual brain scans, and AN may be a valuable model disorder to study structural neuroplasticity. Structural magnetic resonance imaging studies have found reduced gray matter volume and cortical thinning in acutely underweight patients to normalize following successful treatment. However, some well-controlled studies have found regionally greater gray matter and persistence of structural alterations following long-term recovery. Findings from diffusion tensor imaging studies of white matter integrity and connectivity are also inconsistent. Furthermore, despite the severity of AN, the number of existing structural neuroimaging studies is still relatively low, and our knowledge of the underlying cellular and molecular mechanisms for macrostructural brain changes is rudimentary. We critically review the current state of structural neuroimaging in AN and discuss the potential neurobiological basis of structural brain alterations in the disorder, highlighting impediments to progress, recent developments, and promising future directions. In particular, we argue for the utility of more standardized data collection, adopting a connectomics approach to understanding brain network architecture, employing advanced magnetic resonance imaging methods that quantify biomarkers of brain tissue microstructure, integrating data from multiple imaging modalities, strategic longitudinal observation during weight restoration, and large-scale data pooling. Our overarching objective is to motivate carefully controlled research of brain structure in eating disorders, which will ultimately help predict therapeutic response and improve treatment

String-Inspired Triplet See-Saw from Diagonal Embedding of SU(2)_L in SU(2)_A x SU(2)_B

Motivated by string constructions, we consider a variant on the Type II see-saw mechanism involving the exchange of triplet representations of SU(2)_L in which this group arises from a diagonal embedding into SU(2)_A x SU(2)_B. A natural assignment of Standard Model lepton doublets to the two underlying gauge groups results in a bimaximal pattern of neutrino mixings and an inverted hierarchy in masses. Simple perturbations around this leading-order structure can accommodate the observed pattern of neutrino masses and mixings.Comment: 8 pages; uses RevTe

Design, synthesis, conformational analysis and nucleic acid hybridisation properties of thymidyl pyrrolidine-amide oligonucleotide mimics (POM)

Pyrrolidine-amide oligonucleotide mimics (POM) 1 were designed to be stereochemically and conformationally similar to natural nucleic acids, but with an oppositely charged, cationic backbone. Molecular modelling reveals that the lowest energy conformation of a thymidyl-POM monomer is similar to the conformation adopted by ribonucleosides. An e cient solution phase synthesis of the thymidyl POM oligomers has been developed, using both N-alkylation and acylation coupling strategies. 1H NMR spectroscopy con rmed that the highly water soluble thymidyl-dimer, T2-POM, preferentially adopts both a con guration about the pyrrolidine N-atom and an overall conformation in D2O that are very similar to a typical C3 -endo nucleotide in RNA. In addition the nucleic acid hybridisation properties of a thymidyl-pentamer, T5-POM, with an N-terminal phthalimide group were evaluated using both UV spectroscopy and surface plasmon resonance (SPR). It was found that T5-POM exhibits very high a nity for complementary ssDNA and RNA, similar to that of a T5-PNA oligomer. SPR experiments also showed that T5-POM binds with high sequence delity to ssDNA under near physiological conditions. In addition, it was found possible to attenuate the binding a nity of T5-POM to ssDNA and RNA by varying both the ionic strength and pH. However, the most striking feature exhibited by T5-POM is an unprecedented kinetic binding selectivity for ssRNA over DNA

Natural Recolonization of Cultivated Land by Native Prairie Plants and its Enhancement by Removal of Scots Pine, Pinus sylvestris

A combination of native and introduced plants colonized abandoned cultivated land with adjacent relict prairie and savanna in the Rice Lake region of southern Ontario. After 71 years, the native colonizers included 86 species found in regional prairie relicts, but much of the area was also colonized by introduced Scots Pine, Pinus sylvestris, which apparently spread from an adjacent planting. The pines formed expanding patches of dense growth that excluded other species. Removal of the invasive Scots Pine from a 200 m2 plot within the abandoned land led to colonization 17 years later by 36 native species characteristic of the prairie, savanna and sand barrens of the region. Included in this group of native prairie colonizers were keystone species such as Andropogon gerardii, Carex siccata, Ceanothus americanus, Comptonia peregrina and Quercus velutina. Areas where patches of Scots Pine had been allowed to continue growing were either devoid of vegetation or had a sparse understory of introduced species and Poison Ivy (Rhus radicans). These observations support the concepts of (1) protecting islands of native dry ground flora which can serve as sources for recolonization and (2) protection of old field and particularly recently cultivated land adjacent to protected native grassland to allow natural restoration. The fact that keystone native species were able to colonize the area from which the introduced Scots Pines had been removed suggests that the pines are aggressive competitors that occupy space to the exclusion of the native species. Scots Pine is thus a driver of ecological change in degraded ecosystems. Management including removal of Scots Pine to support native plant biodiversity is strongly supported

THE SUPERMARKET INDUSTRY AT THE START OF THE 21st CENTURY: KEY FINDINGS FROM THE 2000 SUPERMARKET PANEL

The 2000 Supermarket Panel gathered data on store characteristics, management practices, and operating performance from a representative, nation-wide sample of supermarkets. The Panel is unique because the unit of analysis is the individual store, and the same stores will be surveyed over time. Linking information on management practices and store and market characteristics with measures for key performance measures provides useful information for both strategic and tactical decisions. Descriptive findings are presented for stores groups by ownership group size and format. Results from a multivariate analysis of relationships between store performance and key performance drivers also are presented.Agribusiness,

External Shear in Quadruply Imaged Lens Systems

We use publicly available N-body simulations and semi-analytic models of galaxy formation to estimate the levels of external shear due to structure near the lens in gravitational lens systems. We also describe two selection effects, specific to four-image systems, that enhance the probability of observing systems to have higher external shear. Ignoring additional contributions from "cosmic shear" and assuming that lens galaxies are not significantly flattened, we find that the mean shear at the position of a quadruple lens galaxy is 0.11, the rms shear is roughly 0.15, and there is roughly a 45% likelihood of external shear greater than 0.1. This is much larger than previous estimates and in good agreement with typical measured external shear. The higher shear primarily stems from the tendency of early-type galaxies, which are the majority of lenses, to reside in overdense regions.Comment: 5 pages, 2 figures, ApJ in press, minor revision

What is on Tap? The Role of Spin in Compact Objects and Relativistic Jets

We examine the role of spin in launching jets from compact objects across the mass scale. Our work includes a total of 37 Seyferts, 11 stellar-mass black holes, and 13 neutron stars. We find that when the Seyfert reflection lines are modeled with Gaussian line features (a crude proxy for inner disk radius and therefore spin), only a slight inverse correlation is found between the Doppler-corrected radio luminosity at 5 GHz (a proxy for jet power) and line width. When the Seyfert reflection features are fit with relativistically-blurred disk reflection models that measure spin, there is a tentative positive correlation between the Doppler-corrected radio luminosity and the spin measurement. Further, when we include stellar-mass black holes in the sample, to examine the effects across the mass scale, we find a slightly stronger correlation with radio luminosity per unit mass and spin, at a marginal significance (2.3 sigma confidence level). Finally, when we include neutron stars, in order to probe lower spin values, we find a positive correlation (3.3 sigma confidence level) between radio luminosity per unit mass and spin. Although tentative, these results suggest that spin may have a role in determining the jet luminosity. In addition, we find a slightly more significant correlation (4.4 sigma confidence level) between radio luminosity per Bolometric luminosity and spin, using our entire sample of black holes and neutrons stars. Again, although tentative, these relations point to the possibility that the mass accretion rate, i.e. Bolometric luminosity, is also important in determining the jet luminosity, in addition to spin. Our analysis suggests that mass accretion rate and disk or coronal magnetic field strength may be the "throttle" in these compact systems, to which the Eddington limit and spin may set the maximum jet luminosity that can be achieved.Comment: 14 pages, 13 Figures, ApJ Accepte

Inferring individual attributes from search engine queries and auxiliary information

Internet data has surfaced as a primary source for investigation of different aspects of human behavior. A crucial step in such studies is finding a suitable cohort (i.e., a set of users) that shares a common trait of interest to researchers. However, direct identification of users sharing this trait is often impossible, as the data available to researchers is usually anonymized to preserve user privacy. To facilitate research on specific topics of interest, especially in medicine, we introduce an algorithm for identifying a trait of interest in anonymous users. We illustrate how a small set of labeled examples, together with statistical information about the entire population, can be aggregated to obtain labels on unseen examples. We validate our approach using labeled data from the political domain. We provide two applications of the proposed algorithm to the medical domain. In the first, we demonstrate how to identify users whose search patterns indicate they might be suffering from certain types of cancer. In the second, we detail an algorithm to predict the distribution of diseases given their incidence in a subset of the population at study, making it possible to predict disease spread from partial epidemiological data