Electron-impact electronic excitation of molecular nitrogen using the Schwinger multichannel variational method

The Schwinger multichannel method is applied to study the low-energy electron-impact excitation of molecular nitrogen. The scattering amplitudes are obtained within the minimal orbital basis for single configuration interactions (MOBSCI) level of approximation, for impact energies from near threshold up to 30 eV. Through the use of the MOBSCI strategy we have performed a close-coupling calculation for up to nine states, including the ground state and all singlet and triplet states resulting from the pi(u)->pi(g) transitions. Integral and differential cross sections for the X (1)Sigma(+)(g)-> A (3)Sigma(+)(u), W (3)Delta(u), B-' (3)Sigma(-)(u), a(') (1)Sigma(-)(u), and w (1)Delta(u) electronic transitions are presented and compared with available experimental data and also with other theoretical results.75

Chemical diplomacy in male tilapia: urinary signal increases sex hormone and decreases aggression

Androgens, namely 11-ketotestosterone (11KT), have a central role in male fish reproductive physiology and are thought to be involved in both aggression and social signalling. Aggressive encounters occur frequently in social species, and fights may cause energy depletion, injury and loss of social status. Signalling for social dominance and fighting ability in an agonistic context can minimize these costs. Here, we test the hypothesis of a 'chemical diplomacy' mechanism through urinary signals that avoids aggression and evokes an androgen response in receiver males of Mozambique tilapia (Oreochromis mossambicus). We show a decoupling between aggression and the androgen response; males fighting their mirror image experience an unresolved interaction and a severe drop in urinary 11KT. However, if concurrently exposed to dominant male urine, aggression drops but urinary 11KT levels remain high. Furthermore, 11KT increases in males exposed to dominant male urine in the absence of a visual stimulus. The use of a urinary signal to lower aggression may be an adaptive mechanism to resolve disputes and avoid the costs of fighting. As dominance is linked to nest building and mating with females, the 11KT response of subordinate males suggests chemical eavesdropping, possibly in preparation for parasitic fertilizations.info:eu-repo/semantics/publishedVersio

Polarization effects on electronic excitation of molecules by low-energy electron impact: Study on e(-)-furan scattering

The Schwinger multichannel method is applied to study the influence of polarization effects on the electronic excitation of the furan molecule by low-energy electron impact. We discuss the importance of inclusion of these effects through the comparison of theoretical results for the electronic excitation of the (3)B(2) state of furan obtained with and without the proper treatment of the polarization of the target. The electron-furan scattering presents two prominent shape resonances in the (2)A(2) and (2)B(1) symmetries at around the electronic excitation threshold of the (3)B(2) state (3.7 eV). At this low-energy, the inclusion of polarization effects in the calculation moves to lower energies the resonances positions obtained either in the close-coupling or in the static-exchange level of approximation. This phenomenon strongly influences the electronic excitation process. The present results show that a simple close-coupling calculation cannot be applied for molecular systems with low-energy electronic excitation thresholds around misplaced resonances.77

A comparative study of elastic scattering of low-energy electrons by boron, aluminum and gallium trihalides

In this paper we present integral, differential and momentum transfer cross sections for elastic scattering of low-energy electrons by some metal-halogen molecular compounds, namely, BF3, BCl3, BBr3, BI3, AlF3, AlCl3, AlBr3, AlI3, GaF3, GaCl3, GaBr3, and GaI3. The pseudopotential based calculations were carried out with the Schwinger multichannel method at the static-exchange level of approximation. It is the purpose of this work to make a comparative study of the scattering processes involving aluminum and gallium trihalides with previous results for the boron ones [M. H. F. Bettega, Phys. Rev. A 61, 042703 (2000)]. We find through direct comparison of the elastic cross sections that, at low energies, the scattering processes are mainly dominated by the halogen atoms. (C) 2003 American Institute of Physics.1181758

Body adiposity index to analyze the percentage of fat in young men aged between 7 and 17 years

BACKGROUND: The body adiposity index (BAI), uses anthropometry to estimate percent body fat (%F). However, previous studies have shown that the BAI has limited accuracy for children and adolescents. OBJECTIVE: We propose to develop and validate an adjusted BAI for use in male children and adolescents from 7 to 17 years of age. METHODS: The sample consisted of 141 physically active male children and adolescents (age: 12.5 ± 2.14). The %F was determined by X-ray dual energy absorptometry equipment (DXA) as the standard method and by BAI, using an equation that uses height and hip circumference. Arithmetic modeling was used to adjust the structure of the BAI mathematical model. RESULTS: The BAI arithmetic adjustment was successful, resulting in the mathematical model named in the present study of adjusted body adiposity index (BAIADJ ). BAI and BAIADJ correlated with DXA (r ≤ .70, p  .05). CONCLUSION: The adjusted model of the body adiposity index proves to be an effective tool for the analysis of the fat percentage in young males. In addition, it demonstrated significant degrees of agreement and validity in relation to DXA

Low-energy electron collisions with acetic acid

We present cross sections for elastic collisions of low-energy electrons with acetic acid. We employed the Schwinger multichannel method with pseudopotentials in the static-exchange and static-exchange plus polarization approximations, for energies ranging from 0.1 to 10 eV. We found a pi(*) shape resonance around 1.7 eV, corresponding to the A(') symmetry of the C(s) group. This resonant state was assigned to the experimental dissociative electron attachment peak at 1.7 eV yielding CH(3)COO(-)+H. We also performed a series of electronic structure calculations using a small basis set for acetic, formic, and trifluoroacetic acids, which exhibit a similar behavior with respect to the dissociative electron attachment. We believe that hydrogen elimination triggered off by electron capture into a pi(*) resonance could be a general property of carboxylic acids.79

Developmental motor problems and health-related quality of life in 5-year-old children born extremely preterm: A European cohort study

Aim To measure the association between cerebral palsy (CP) and non-CP-related movement difficulties and health-related quality of life (HRQoL) among 5-year-old children born extremely preterm (<28 weeks gestational age). Method We included 5-year-old children from a multi-country, population-based cohort of children born extremely preterm in 2011 to 2012 in 11 European countries (n = 1021). Children without CP were classified using the Movement Assessment Battery for Children, Second Edition as having significant movement difficulties (<= 5th centile of standardized norms) or being at risk of movement difficulties (6th-15th centile). Parents reported on a clinical CP diagnosis and HRQoL using the Pediatric Quality of Life Inventory. Associations were assessed using linear and quantile regressions. Results Compared to children without movement difficulties, children at risk of movement difficulties, with significant movement difficulties, and CP had lower adjusted HRQoL total scores (beta [95% confidence interval] = -5.0 [-7.7 to -2.3], -9.1 [-12.0 to -6.1], and - 26.1 [-31.0 to -21.2]). Quantile regression analyses showed similar decreases in HRQoL for all children with CP, whereas for children with non-CP-related movement difficulties, reductions in HRQoL were more pronounced at lower centiles. Interpretation CP and non-CP-related movement difficulties were associated with lower HRQoL, even for children with less severe difficulties. Heterogeneous associations for non-CP-related movement difficulties raise questions for research about mitigating and protective factors.Faculdade de Ciencias e Tecnologia, Universidade Nova de Lisboa, Grant/Award Number: SFRH/BPD/117597/2016; Horizon 2020 Framework Programme, Grant/Award Number: No 633724 and No 733280; Seventh Framework Programme, Grant/Award Number: No 25988

Psychosocial functioning and intelligence both partly explain socioeconomic inequalities in premature death. A population-based male cohort study

The possible contributions of psychosocial functioning and intelligence differences to socioeconomic status (SES)-related inequalities in premature death were investigated. None of the previous studies focusing on inequalities in mortality has included measures of both psychosocial functioning and intelligence.The study was based on a cohort of 49 321 men born 1949-1951 from the general community in Sweden. Data on psychosocial functioning and intelligence from military conscription at ∼18 years of age were linked with register data on education, occupational class, and income at 35-39 years of age. Psychosocial functioning was rated by psychologists as a summary measure of differences in level of activity, power of initiative, independence, and emotional stability. Intelligence was measured through a multidimensional test. Causes of death between 40 and 57 years of age were followed in registers.The estimated inequalities in all-cause mortality by education and occupational class were attenuated with 32% (95% confidence interval: 20-45%) and 41% (29-52%) after adjustments for individual psychological differences; both psychosocial functioning and intelligence contributed to account for the inequalities. The inequalities in cardiovascular and injury mortality were attenuated by as much as 51% (24-76%) and 52% (35-68%) after the same adjustments, and the inequalities in alcohol-related mortality were attenuated by up to 33% (8-59%). Less of the inequalities were accounted for when those were measured by level of income, with which intelligence had a weaker correlation. The small SES-related inequalities in cancer mortality were not attenuated by adjustment for intelligence.Differences in psychosocial functioning and intelligence might both contribute to the explanation of observed SES-related inequalities in premature death, but the magnitude of their contributions likely varies with measure of socioeconomic status and cause of death. Both psychosocial functioning and intelligence should be considered in future studies