Structure and weak hydrogen bonds in liquid acetaldehyde

Monte Carlo simulations have been performed to investigate the structure and hydrogen bonds formation in liquid acetaldehyde. An all atom model for the acetaldehyde have been optimized in the present work. Theoretical values obtained for heat of vaporisation and density of the liquid are in good agreement with experimental data. Graphics of radial distribution function indicate a well structured liquid compared to other similar dipolar organic liquids. Molecular mechanics minimization in gas phase leads to a trimer of very stable structure. The geometry of this complex is in very good agreement with the rdf. The shortest site-site correlation is between oxygen and the carbonyl hydrogen, suggesting that this correlation play a important role in the liquid structure and properties. The O⋯H average distance and the C-H⋯O angle obtained are characteristic of weak hydrogen bonds.

Efeito do raloxifeno sobre a densidade mamográfica em mulheres na pós-menopausa

PURPOSE: to evaluate changes in mammographic breast density in postmenopausal women using raloxifene. METHODS: in this clinical trial, 80 women (mean age=61.1 years) were studied prospectively. Forty patients received 60 mg/day raloxifene, and 40 women comprised the non-treated group (control), paired by age and time of menopause. The treated group was composed of patients with osteoporosis of the lumbar spine. Those with history of breast surgery and users of hormone therapy up to six months prior to the study were excluded. The breast density was assessed qualitatively (subjective) and quantitatively (objective) in two moments, initial and final, after a 6-month follow-up. The 320 mammograms (craniocaudal and oblique) were interpreted qualitatively by the Breast Imaging Reporting and Data System (BI-RADS) classification and quantitatively by digital scanning and computer-assisted segmentation. For statistical analysis t-test, Wilcoxon Mann-Whitney, Spearman correlation and the kappa index were used. RESULTS: on the initial statistical comparison, the groups were considered homogenous for the variables: analyzed age, time of menopause, parity, breast feeding, previous hormonal therapy and body mass index. Baseline breast density, by qualitative and quantitative methods, correlated negatively with the age in both groups (p<0.05). Concerning the other variables, there was no correlation. After six months, no alteration was observed in the mammographic breast density in 38 women of raloxifene group and 38 of the control group, by qualitative method. However, by quantitative method, no alteration was observed in 30 women of the raloxifene group and 27 controls (p>0.05). It was observed a weak agreement rate (kappa=0.25) between the BI-RADS classification and digital scanning/computer-assisted segmentation. CONCLUSIONS: in post-menopausal women with osteoporosis, submitted to raloxifene treatment for six months, no alterations were observed on the mammographic breast density.

Weak mixing and eigenvalues for arnoux-rauzy sequences

We define by simple conditions two wide subclasses of the socalled Arnoux-Rauzy systems; the elements of the first one share the property of (measure-theoretic) weak mixing, thus we generalize and improve a counterexample to the conjecture that these systems are codings of rotations; those of the second one have eigenvalues, which was known hitherto only for a very small set of examples.

Nonmesonic weak decay of Λ-hypernuclei within independent-particle shell-model

After a short introduction to the nonmesonic weak decay (NMWD) ΛN→nN of Λ-hypernuclei we discuss the long-standing puzzle on the ratio Γn/Γp, and some recent experimental evidences that signalized towards its final solution. Two versions of the Independent-Particle-Shell-Model (IPSM) are employed to account for the nuclear structure of the final residual nuclei. They are: (a) IPSM-a, where no correlation, except for the Pauli principle, is taken into account, and (b) IPSM-b, where the highly excited hole states are considered to be quasi-stationary and are described by Breit-Wigner distributions, whose widths are estimated from the experimental data. We evaluate the coincidence spectra in Λ 4He, Λ 5He, Λ 12C, Λ 16O, and Λ 28Si, as a function of the sum of kinetic energies EnN=En+EN for N=n, p. The recent Brookhaven National Laboratory experiment E788 on Λ 4He, is interpreted within the IPSM. We found that the shapes of all the spectra are basically tailored by the kinematics of the corresponding phase space, depending very weakly on the dynamics, which is gauged here by the one-meson-exchange- potential. In spite of the straightforwardness of the approach a good agreement with data is achieved. This might be an indication that the final-state- interactions and the two-nucleon induced processes are not very important in the decay of this hypernucleus. We have also found that the π+K exchange potential with soft vertex-form-factor cutoffs (Λπ≈0. 7GeV, ΛK≈0.9GeV), is able to account simultaneously for the available experimental data related to Γp and Γn for Λ 4H, and Λ 5He. © 2010 American Institute of Physics.

Weak links between exports and economic growth in Latin America and the Caribbean

Includes bibliography

Weak expansions: a distinctive feature of the business cycle in Latin America and the Caribbean

Using two standard cycle methodologies (Classical and Deviation Cycle) and a comprehensive sample of 83 countries worldwide, including all developing regions, we show that the Latin American and Caribbean cycle exhibits two distinctive features. First, and most importantly, its expansion performance is shorter and for the most par less imtense than that of the rest of the regions considered, and in particular than that of East Asia and the Pacific, East Asia and the Pacific's expansions last five years longer than those of LAC, and its output gain is 50% greater than that of LAC. Second, LAC tends to exhibit contractions that are not significantly different in terms of duration and amplitude than t those of other regions. Both these features imply that the complete Latin American and Caribbean cycle has, overall, the shortest duration and smallest amplitude in relation to other regions. The specificities of the Latin American and Caribbean cycle are not confined to the short run. These are also reflected in variables such as productivity and investment, which are linked to long-run growth. East Asia and the Pacific's cumulative gain in labor productivity during the expansionary phase is twice that of LAC. Moreover, the evidence also shows that the effects of the contraction in public investment surpass those of the expansion leading to a declining trend over the entire cycle. In this sense we suggest that policy analysis needs to increase its focus on the expansionary phase of the cycle. Improving our knowledge of the differences in the expansionary dynamics of countries and regions, can further our understanding of the differences in their rates of growth and levels of development. We also suggest that while, the management of the cycle affects the short-run fluctuations of economic activity and hence volatility, it is not trend neutral. Hence, the effects of aggregate demand management policies may be more persistent over time and less transitory than currently thought.

Cellular damages in the Allium cepa test system, caused by BTEX mixture prior and after biodegradation process

Petroleum and derivatives have been considered one of the main environmental contaminants. Among petroleum derivatives, the volatile organic compounds benzene, toluene, ethylbenzene and xylene (BTEX) represent a major concern due to their toxicity and easy accumulation in groundwater. Biodegradation methods seem to be suitable tools for the clean-up of BTEX contaminants from groundwater. Genotoxic and mutagenic potential of BTEX prior and after biodegradation process was evaluated through analyses of chromosomal aberrations and MN test in meristematic and F 1 root cells using the Allium cepa test system. Seeds of A. cepa were germinated into five concentrations of BTEX, non-biodegraded and biodegraded, in ultra-pure water (negative control), in MMS 4×10 -4M (positive control) and in culture medium used in the biodegradation (blank biodegradation control). Results showed a significant frequency of both chromosomal and nuclear aberrations. The micronucleus (MN) frequency in meristematic cells was significant for most of tested samples. However, MN was not present in significant levels in the F 1 cells, suggesting that there was no permanent damage for the meristematic cell. The BTEX effects were significantly reduced in the biodegraded samples when compared to the respective non-biodegraded concentrations. Therefore, in this study, the biodegradation process showed to be a reliable and effective alternative to treat BTEX-contaminated waters. Based on our results and available data, the BTEX toxicity could also be related to a synergistic effect of its compounds. © 2011 Elsevier Ltd.

Informative Radio Models in Brazil: The All-News Networks

This study analyzes the particularities of Brazilian radio networks that adopt the all-news format and briefly presents the main national and international experiences for the implementation of the model and its conceptualization. Besides the bibliographic review, we use the multiple-case study, analyzing as the empirical objects CBN and BandNews FM networks. Also, we apply methodological procedures of systematic non-participant observation, supplemented by interviews and surveys. We conclude that the different all-news programming models and network organizations influence the processes of production, information structure, broadcasting language, and therefore the stations' profile. © 2011 Copyright Taylor and Francis Group, LLC.

Dynamics of hypernuclear nonmesonic weak decay

Simple and coincidence spectra of the NM weak decay of light hypernuclei have been evaluated in a systematic way for the first time. We have only considered 1N induced processes, neglecting entirely the events induced by 2N emission, as well as the effects of the FSIt's. As the theoretical frameworkwe have used the IPSM with three different parametrizations for the transition potential. The comparison with data strongly suggests that the soft π + K exchange model could be a good starting point to describe the dynamics in the NM weak decays of s- and p-shell hypernuclei. © 2012 American Institute of Physics.

Evidence of weak ferromagnetism in doped plasticized polyaniline (PANI-DDoESSA)0.5 from electron spin resonance measurements

X-band electron spin resonance (ESR) measurements have been performed on a conducting free-standing film of polyaniline plasticized and protonated with di-n-dodecyl ester of sulfosuccinic acid (DDoESSA). The magnetic field was applied parallel and perpendicular to the plane of the film. At around 75 K a transition is observed from Pauli susceptibility to a localized state in which the spin 1/2 polarons behave as spin 1/2 dimers. A rough estimation of the intradimer and interdimer exchange constants is obtained. Below 5 K, ESR data reveal a weak ferromagnetism with the Dzyaloshinskii-Moriya vector mainly oriented in the plane of the film. The existence of a relatively well-defined n-fold axis along the chain direction in the crystalline regions confers a symmetry compatible with such analysis. © 2013 IOP Publishing Ltd.

Diabetic rats exercised prior to and during pregnancy: Maternal reproductive outcome, biochemical profile, and frequency of fetal anomalies

The aim of this study was to evaluate the effects of exercise prior to or during pregnancy on maternal reproductive outcome, biochemical profile, and on fetal anomaly frequency in a rat pregnancy model utilizing chemically induced diabetes. Wistar rats (minimum n = 11 animals/group) were randomly assigned the following groups: group 1 (G1), sedentary, nondiabetic; G2, nondiabetic, exercised during pregnancy; G3, nondiabetic, exercised prior to and during pregnancy; G4, sedentary, diabetic; G5, diabetic, exercised during pregnancy; and G6, diabetic, exercised prior to and during pregnancy. A swimming program was utilized for moderate exercise. On day 21 of pregnancy, all rats were anesthetized to obtain blood for biochemical measurements. The gravid uterus was weighed with its contents, and the fetuses were analyzed. The nondiabetic rats exercised prior to pregnancy presented a reduced maternal weight gain. Besides, G2 and G3 groups showed decreased fetal weights at term pregnancy, indicating slight intrauterine growth restriction (IUGR). In the diabetic dams, the swimming program did not have antihyperglycemic effects. The exercise applied only during pregnancy caused severe IUGR, as confirmed by reduced fetal weight mean, fetal weight classification, and ossification sites. Nevertheless, exercise was not a teratogenic factor and improved the rats' lipid profiles, demonstrating that the exercise presented possible benefits, but there are also risks prior and during pregnancy, especially in diabetic pregnant women. © The Author(s) 2012.

Weak local Nash equilibrium

In this paper, we consider a concept of local Nash equilibrium for non-cooperative games - the so-called weak local Nash equilibrium. We prove its existence for a significantly more general class of sets of strategies than compact convex sets. The theorems on existence of the weak local equilibrium presented here are applications of Brouwer and Lefschetz fixed point theorems. © 2013 Juliusz Schauder Centre for Nonlinear Studies Nicolaus Copernicus University.

Effects of methylmercury on electric organ discharges in the weak electric fish Gymnotus sylvius

Methylmercury (MeHg) is present in the environment because of natural and anthropogenic causes. MeHg can reach the central nervous system (CNS) and cause neurological damage in humans and animals. Electric organ discharges (EODs) in the weak electric fish Gymnotus sylvius are produced by the electric organ and modulated by the CNS. These discharges are used for electrolocation and communication. The purpose of the present study was to investigate the effects of dietary MeHg exposure on EOD rate in G. sylvius. An oscilloscope was used to record the EOD rate. Two treatments were investigated: chronic MeHg administration (4 μg/kg MeHg every 2 days, with a total of nine dietary exposures to MeHg) and acute MeHg administration (a single dose of 20 μg/kg MeHg). The control data for both treatments were collected every 2 days for 18 days, with a total of nine sessions (day 1 until day 18). Data of fish exposed to MeHg were collected every 2 days, totaling nine sessions (day 19 until day 36). Chronic treatment significantly increased the EOD rate in G. sylvius (p<.05), especially with the final treatment (day 32 until day 36). Acute treatment resulted in an initial increase in the EOD rate, which was maintained midway through the experiment (day 26 until day 30 p<.05). The present study provides the first insights into the effects of MeHg on EODs in weak electric fish. The EOD rate is a novel response of the fish to MeHg administration.

The Predominance of Alternatively Activated Macrophages Following Challenge with Cell Wall Peptide-Polysaccharide After Prior Infection with Sporothrix schenckii

Sporotrichosis is a subcutaneous mycosis that is caused by the dimorphic fungus Sporothrix schenckii. This disease generally occurs within the skin and subcutaneous tissues, causing lesions that can spread through adjacent lymphatic vessels and sometimes leading to systemic diseases in immunocompromised patients. Macrophages are crucial for proper immune responses against a variety of pathogens. Furthermore, macrophages can play different roles in response to different microorganisms and forms of activation, and they can be divided into classic or alternatively activated populations, as also known as M1 and M2 macrophages. M1 cells can lead to tissue injury and contribute to pathogenesis, whereas M2 cells promote angiogenesis, tissue remodeling, and repair. The aim of this study was to investigate the roles of M1 and M2 macrophages in a sporotrichosis model. Toward this end, we performed phenotyping of peritoneal exudate cells and evaluated the concomitant production of several immunomediators, including IL-12, IL-10, TGF-β, nitric oxide, and arginase-I activity, which were stimulated ex vivo with cell wall peptide-polysaccharide. Our results showed the predominance of the M2 macrophage population, indicated by peaks of arginase-I activity as well as IL-10 and TGF-β production during the 6th and 8th weeks after infection. These results were consistent with cellular phenotyping that revealed increases in CD206-positive cells over this period. This is the first report of the participation of M2 macrophages in sporotrichosis infections. © 2013 Springer Science+Business Media Dordrecht.