The electron-furfural scattering dynamics for 63 energetically open electronic states

14 págs.; 15 figs.We report on integral-, momentum transfer- and differential cross sections for elastic and electronically inelastic electron collisions with furfural (CHO). The calculations were performed with two different theoretical methodologies, the Schwinger multichannel method with pseudopotentials (SMCPP) and the independent atom method with screening corrected additivity rule (IAM-SCAR) that now incorporates a further interference (I) term. The SMCPP with N energetically open electronic states (N) at either the static-exchange (N ch-SE) or the static-exchange-plus-polarisation (N ch-SEP) approximation was employed to calculate the scattering amplitudes at impact energies lying between 5 eV and 50 eV, using a channel coupling scheme that ranges from the 1ch-SEP up to the 63ch-SE level of approximation depending on the energy considered. For elastic scattering, we found very good overall agreement at higher energies among our SMCPP cross sections, our IAM-SCAR+I cross sections and the experimental data for furan (a molecule that differs from furfural only by the substitution of a hydrogen atom in furan with an aldehyde functional group). This is a good indication that our elastic cross sections are converged with respect to the multichannel coupling effect for most of the investigated intermediate energies. However, although the present application represents the most sophisticated calculation performed with the SMCPP method thus far, the inelastic cross sections, even for the low lying energy states, are still not completely converged for intermediate and higher energies. We discuss possible reasons leading to this discrepancy and point out what further steps need to be undertaken in order to improve the agreement between the calculated and measured cross sections. ©2016 AIP Publishing LLCR.F.d.C., M.C.A.L., M.H.F.B., M.T.d.N.V., and M.A.P.L. acknowledge support from the Brazilian agency Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq). M.T.d.N.V. acknowledges support from Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP). D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Researcher Award. M.J.B. thanks the ARC for some financial support and also thanks CNPq for his “Special Visiting Professor” award at the Federal University of Juiz de Fora. G.G. thanks the Spanish Ministerio de Economia y Competitividad under Project No. FIS2012- 31230 and the European Union COST Action No. CM1301 for funding.Peer Reviewe

The Association of Field Test Outcomes with Peak Oxygen Uptake in Patients with Cystic Fibrosis: A Systematic Review

International Journal of Exercise Science 15(3): 1381-1394, 2022. The purpose of the study was to evaluate the association of field test outcomes with peak oxygen uptake (VO2peak) in patients with cystic fibrosis (CF) and to describe the main prediction equations available. Data searches were performed in five databases (Pubmed, Embase, LILACs, Scopus and Web of Science) and also in the reference lists of articles included. The following inclusion criteria were used: studies including individuals with CF, presenting both a field test and a cardiopulmonary exercise testing (CPET), and describing a predictive equation or coefficient of correlation/determination. Case studies, abstracts, letters of reply, editorials and duplicate publications were excluded. The methodological quality analysis was performed using the JBI Critical Appraisal Checklist for Analytical Cross-Sectional Studies scale. Protocol registration number: CRD42020148363. Ten studies were eligible. Five equations were found to predict VO2peak. Equations derived from the shuttle tests (ST) showed strong correlations with VO2peak (r = 0.79 to 0.95). The six-minute walk test (6MWT) showed moderate associations with VO2peak in participants with moderate disease severity (r = 0.53 to 0.65). Furthermore, patients with lower maximum heart rate on the three-minute step test tended to have a higher percent predicted VO2peak (r = -0.40), and the one-minute sit-to-stand test demonstrated moderate correlations between VO2peak and the number of repetitions (r = 0.52 to 0.66). In conclusion, field test outcomes correlate with oxygen consumption assessed through CPET, although only the ST seems to be valid as a predictor of VO2peak in patients with CF

Integral elastic, electronic-state, ionization, and total cross sections for electron scattering with furfural

We report absolute experimental integral cross sections (ICSs) for electron impact excitation of bands of electronic-states in furfural, for incident electron energies in the range 20-250 eV. Wherever possible, those results are compared to corresponding excitation cross sections in the structurally similar species furan, as previously reported by da Costa et al. [Phys. Rev. A 85, 062706 (2012)] and Regeta and Allan [Phys. Rev. A 91, 012707 (2015)]. Generally, very good agreement is found. In addition, ICSs calculated with our independent atom model (IAM) with screening corrected additivity rule (SCAR) formalism, extended to account for interference (I) terms that arise due to the multi-centre nature of the scattering problem, are also reported. The sum of those ICSs gives the IAM-SCAR+I total cross section for electron-furfural scattering. Where possible, those calculated IAM-SCAR+I ICS results are compared against corresponding results from the present measurements with an acceptable level of accord being obtained. Similarly, but only for the band I and band II excited electronic states, we also present results from our Schwinger multichannel method with pseudopotentials calculations. Those results are found to be in good qualitative accord with the present experimental ICSs. Finally, with a view to assembling a complete cross section data base for furfural, some binary-encounter-Bethe-level total ionization cross sections for this collision system are presented. (C) 2016 AIP Publishing LLC

Theoretical and experimental differential cross sections for electron impact excitation of the electronic bands of furfural

13 págs.; 8 figs.; 6 tabs.We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (CHO). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of CHO. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10°and 90°. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail. ©2016 AIP Publishing LLCR.F.C.N. thanks CNPq (Brazil) and the Science Without Borders Programme for opportunities to study abroad. D.B.J. thanks the Australian Research Council (ARC) for financial support provided through a Discovery Early Career Research Award, while M.J.B. also thanks the ARC for their support. M.J.B. and M.C.A.L. acknowledge the Brazilian agencies CNPq and FAPEMIG. P.L.-V. acknowledges the Portuguese Foundation for Science and Technology (FCTMEC) through Grant Nos. PTDC/FIS-ATO/1832/2012 and UIO/FIS/00068/2013. G.G. acknowledges partial financial support from the Spanish Ministry MINECO (Project No. FIS2012-31230) and the European Union COST Action No. CM1301 (CELINA). Finally, R.F.d.C., M.T.d.N.V., M.H.F.B., and M.A.P.L. acknowledge support from the Brazilian agency CNPq and M.T.d.N.V. also thanks FAPESP.Peer Reviewe

New insights on the impacts of e-waste towards marine bivalves: the case of the rare earth element Dysprosium

With the technological advances and economic development, the multiplicity and wide variety of applications of electrical and electronic equipment have increased, as well as the amount of end-of-life products (waste of electrical and electronic equipment, WEEE). Accompanying their increasing application, there is an increasing risk to aquatic ecosystems and inhabiting organisms. Among the most common elements present in WEEE are rare earth elements (REE) such as Dysprosium (Dy). The present study evaluated the metabolic and oxidative stress responses of mussels Mytilus galloprovincialis exposed to an increasing range of Dy concentrations, after a 28 days experimental period. The results obtained highlighted that Dy was responsible for mussel’s metabolic increase associated with glycogen expenditure, activation of antioxidant and biotransformation defences and cellular damage, with a clear loss of redox balance. Such effects may greatly impact mussel’s physiological functions, including reproduction capacity and growth, with implications for population conservation. Overall the present study pointed out the need for more research on the toxic impacts resulting from these emerging pollutants, especially towards marine and estuarine invertebrate species.publishe

Diagnostic Performance of convolutional neural networks for dental sexual dimorphism

Convolutional neural networks (CNN) led to important solutions in the field of Computer Vision. More recently, forensic sciences benefited from the resources of artificial intelligence, especially in procedures that normally require operator-dependent steps. Forensic tools for sexual dimorphism based on morphological dental traits are available but have limited performance. This study aimed to test the application of a machine learning setup to distinguish females and males using dentomaxillofacial features from a radiographic dataset. The sample consisted of panoramic radiographs (n = 4003) of individuals in the age interval of 6 and 22.9 years. Image annotation was performed with V7 software (V7labs, London, UK). From Scratch (FS) and Transfer Learning (TL) CNN architectures were compared, and diagnostic accuracy tests were used. TL (82%) performed better than FS (71%). The correct classifications of females and males aged ≥ 15 years were 87% and 84%, respectively. For females and males < 15 years, the correct classifications were 80% and 83%, respectively. The Area Under the Curve (AUC) from Receiver-operating Characteristic (ROC) curves showed high classification accuracy between 0.87 and 0.91. The radio-diagnostic use of CNN for sexual dimorphism showed positive outcomes and promising forensic applications to the field of dental human identification

One-year timeline kinetics of cytokine-mediated cellular immunity in dogs vaccinated against visceral leishmaniasis

BACKGROUND: The main control strategy for visceral leishmaniasis in Brazil has been based on the elimination of seropositive dogs, although this is not widely accepted. In this context, the use of a long-lasting protective vaccine against canine visceral leishmaniasis (CVL) has been highly expected. The aim of this work was to determine the timeline kinetics of the cytokine microenvironment derived from circulating leukocytes as supportive immunological biomarkers triggered by Leishmune® vaccine. Cross-sectional kinetic analysis of cellular immunity cytokines was carried out at three times (1, 6 and 12 months) after primovaccination with Leishmune®. In vitro short-term whole blood cultures were stimulated with Leishmania infantum soluble antigen (SLAg). The secreted cytokine signatures and their major sources were determined. RESULTS: At six months after vaccination, Leishmune® induced an increase in IL-8, IFN-γ, IL-17a and TNF-α levels and a decrease in IL-10. Cytokine signature analysis revealed a shift in the microenvironment towards a pro-inflammatory profile mediated by IL-8 and IFN-γ. Both, CD4(+) (↑TNF-α(+) and ↑IFN-γ (+)) and CD8(+) (↑IL-17a and ↓IL-4) T-cells contributed to the acquired immune responses observed after stimulation with SLAg. CONCLUSIONS: The changes observed in the cytokine profile suggested that Leishmune® was able to induce an effective response at six months after primovaccination. After one year, it returned to baseline suggesting the need of additional boosting

Animal Performance in Signalgrass Monoculture or in Silvopastoral Systems

Silvopastoral systems (SPS) can increase overall productivity and long-term income due to the simultaneous production of trees, forage, and livestock. This 2-yr study evaluated animal performance and herbage responses in C4-grass monoculture or in SPS in the sub-humid tropical region of Brazil. The experimental design was randomized complete block with three replications. Treatments were: Urochloa decumbens (Stapf.) R. Webster (Signalgrass) + Mimosa caesalpiniifolia Benth (SPS-Mimosa); Signalgrass + Gliricidia sepium (Jacq.) Kunth ex Walp (SPS-Gliricidia); and Signalgrass monoculture (SM). Response variables included herbage and livestock responses. Cattle were managed under continuous stocking with variable stocking rate. There was interaction between treatment × month for herbage mass. Green herbage accumulation rate ranged from 20 to 80 kg DM ha-1d-1 across months, with SPS-Mimosa presenting lower rates. Average daily gain was greater in SPS-Gliricidia, followed by SM, and SPS-Mimosa, respectively (0.77; 0.56; 0.23 kg d-1), varying across months. Stocking rate ranged from 0.86 to 1.6 AU ha-1. Total gain per area during the experimental period was greater for SPS-Gliricidia (423 kg BW ha-1), followed by signalgrass in monoculture (347 kg BW ha-1), and SPS-Mimosa (50 kg BW ha-1). Silvopasture systems using signalgrass and gliricidia enhanced livestock gains compared with signalgrass in monoculture, and mimosa trees outcompeted signalgrass, reducing livestock gains. Silvopasture systems with tree legumes have potential to provide numerous ecosystem services and reduce C footprint of livestock systems in the tropics, however, the choice of tree species is key and determined by which ecosystem service is prioritized

Interferência de ondas curtas pulsadas na adesividade e na fagocitose de macrófagos em ratos com desnutrição neonatal

Tendo em vista a relação estabelecida entre desnutrição neonatal e atividade celular ligada ao sistema imune, macrófagos peritoniais de ratosWistar machos, desnutridos e recuperados, foram expostos à diatermia de ondas curtas pulsadas (DOCP) e a campo magnético (CM) alternado em freqüência ultrabaixa para verificar in vitro as possíveis alterações no índice de aderência e na atividade fagocítica. Foram submetidos a DOCPmodulada em 30 Hz, 50 Hz e 430 Hz na técnica de Schliephake e na técnica convencional em paralelo, e a um CM de 60 Hz. Foi constatadoaumento no índice de aderência celular nos grupos experimentais de 30 Hz e 50 Hz na técnica de Schliephake e ao CM de 60 Hz em relação aocontrole (p&lt;0,05). A atividade fagocítica diminuiu apenas nos grupos de 30 Hz e 50 Hz na técnica de Schliephake e ao CM de 60 Hz em relação aocontrole (p&lt;0,05). Assim, a DOCP de 30 Hz e 50 Hz na técnica de Schliephake e o CM aumentaram o índice de aderência e diminuíram aatividade fagocítica, o que pode ter aplicações em processos traumáticosagudos. Como macrófagos de animais desnutridos e recuperados mostraram responder a essas irradiações, e como estas são largamente utilizadas em fisioterapia, esses achados auxiliarão na escolha da modulação da DOCP durante o procedimento terapêutico, particularmente em casos que tenham sofrido desnutrição pregressa.In view of the established relationships between neonatal malnutrition and the immuno system, peritoneal macrophages of male Wistar rats were exposed to diatermic pulsate short waves (DPSW) and to alternated magnetic field on extreme low frequency, in order to verify in vitro adhesion index and phagocytic activity. The rats were submitted to malnutrition during the nursing period and to a recovery diet after weaning. The extracted peritoneal macrophages were exposed to DPSWmodulated at 30 Hz, 50 Hz and 430 Hz by using the Schliephake andconventional techniques in parallel, and to a magnetic filed of 60 Hz. Results show increased adhesion index only with the 30 Hz and 50 Hzexperimental groups using Schliephake technique and C M 60 Hz; phagocytic activity was reduced with 30 Hz and 50 Hz using Schliephaketechnique and C M 60 Hz, as compared to the control group (p&lt;0,05).Since macrophages of malnourished and recovered animals responded to such irradiations, and since these are largely used in physical therapy, present results could be used to choose correct DPSW modulation in therapeutic process, particularly in cases who have previously suffered malnutrition