Investigating Molecular Adsorption on Graphene-Supported Platinum Subnanoclusters: Insights from DFT + D3 Calculations.

Platinum (Pt) subnanoclusters have become pivotal in nanocatalysis, yet their molecular adsorption mechanisms, particularly on supported versus unsupported systems, remain poorly understood. Our study employs detailed density functional theory (DFT) calculations with D3 corrections to investigate molecular adsorption on Pt subnanoclusters, focusing on CO, NO, N2, and O2 species. Gas-phase and graphene-supported scenarios are systematically characterized to elucidate adsorption mechanisms and catalytic potential. Gas-phase Pt n clusters are first analyzed to identify stable configurations and assess size-dependent reactivity. Transitioning to graphene-supported Pt n clusters, both periodic and nonperiodic models are employed to study interactions with graphene substrates. Strong adsorbate interactions predominantly occur at single top sites, revealing distinct adsorption geometries and stabilization effects for specific molecules on Pt6 clusters. Energy decomposition analysis highlights the paramount role of graphene substrates in enhancing stability and modulating cluster-adsorbate interactions. The interaction energy emerges as a critical criterion within the Sabatier principle, crucial for distinguishing between physisorption and chemisorption. Hybridization indices and charge density flow tendencies establish direct relationships with stabilization processes, underscoring graphene's influence in stabilizing highly reactive subnanoclusters. This comprehensive investigation provides critical insights into molecular adsorption mechanisms and the catalytic potential of graphene-supported Pt nanoclusters. Our findings contribute to a deeper understanding of nanocatalysis, emphasizing the essential role of substrates in optimizing catalytic performance for industrial applications.

Productive performance and carcass characteristics of castrated and non-castrated Beefalo-Nellore beef cattle finished in a feedlot or kept on pasture.

Beefalo is a fertile hybrid descendant of domestic cattle (Bos taurus) and American buffalo (Bison bison). Crossbred (¾Beefalo»Nellore) beef cattle raised and finished in a feedlot or on pasture were evaluated for the effect of two ages (8 and 13 months) at castration on nutrient intake, performance, and carcass characteristics. In the feedlot, they received a total diet with a roughage:concentrate ratio of 55:45, and those kept on Brachiaria decumbens pastures were supplemented at 0.8% of body weight (BW) with the same concentrate based on corn and soybean meal (17.8% CP and 73% TDN). Thirty-six crossbred (¾ Beefalo » Nellore) beef cattle with 209.2 ± 14.6 kg BW were used, which at weaning, at 8 months of age, were randomly divided into two groups, one of them destined to the feedlot system and the other group to the supplementation system on pasture. In each system (feedlot and pasture) the following treatments were distributed: castration at 8 months (at weaning, C8), castration at 13 months (C13), and non-castrated (NC), with six animals per treatment by system. All animals were slaughtered at 18 months of age. There was no significant interaction between the systems and castration ages for all variables studied. The averages of slaughter weight of feedlot animals were 475.6; 494.3 and 510.7 kg; and finished in pasture were 424.3; 428.0 and 418.7 kg for C8, C13, and NC treatments, respectively. The average subcutaneous fat thickness of the feedlot steers were 4.5, 3.5, and 1.3 mm, and for pasture-finished steers were 2.4, 1.6, and 1.8 mm for C8, C13, and NC treatments, respectively. Non-castrated animals have greater performance and carcass characteristics than castrated animals independent of the finished system. Animals non-castrated finished on Brachiaria grass pastures and slaughtered at 18 months of age require more intensive feeding management or even greater age at slaughter to obtain an ideal carcass finishing despite castration.

Lipid Fraction from Agaricus brasiliensis as a Potential Therapeutic Agent for Lethal Sepsis in Mice.

Sepsis is a potentially fatal clinical condition that results from an immune imbalance in the host during an infection. It presents systemic alterations due to excessive activation of pro-inflammatory mediators that contribute to inflammation, formation of reactive species, and tissue damage. Anti-inflammatory mediators are then extensively activated to regulate this process, leading to immune exhaustion and, consequently, immunosuppression of the host. Considering the biological activities of the nutraceutical Agaricus brasiliensis (A. brasiliensis), such as immunomodulatory, antioxidant, and antitumor activities, the present study investigated the therapeutic potential of the lipid fraction of A. brasiliensis (LF) in a model of lethal sepsis in mice (Mus musculus), induced by cecal ligation and perforation (CLP). The results showed that treatment of septic animals with LF or LF associated with ertapenem (LF-Erta) reduced systemic inflammation, promoting improvement in clinical parameters and increased survival. The data show a reduction in pro-inflammatory and oxidative stress markers, regulation of the anti-inflammatory response and oxidizing agents, and increased bacterial clearance in the peritoneal cavity and liver. Thus, it can be concluded that LF as a treatment, and in conjunction with antibiotic therapy, has shown promising effects as a hepatoprotective, antioxidant, antimicrobial, and immunomodulatory agent.

Stability and Optoelectronic Properties of Two-Dimensional Gallium Phosphide.

Using first-principles calculations, density functional theory, and the tight-binding method, we investigate the optoelectronic properties of two-dimensional gallium phosphide (2D GaP). Our investigation covers electronic properties, such as band structure and electronic band gap, and optical properties, including absorption spectra, refractive index, and reflectivity, considering excitonic effects. Additionally, structural aspects such as stability, elastic properties, and Raman and infrared spectra are also analyzed. This comprehensive study brings up valuable insights into 2D GaP physics, evincing the key features that make it a potential material for optoelectronic applications, such as photodetectors and solar cells.

Plasma Brain-Derived Tau in Prognosis of Large Vessel Occlusion Ischemic Stroke.

BACKGROUND: Large vessel occlusion acute ischemic stroke prognosis improved following the 2015 endovascular therapy (EVT) trials. Blood-based biomarkers may improve outcome prediction. We aimed to assess plasma brain-derived tau (BD-Tau) performance in predicting post-EVT large vessel occlusion acute ischemic stroke outcomes. METHODS: We included 2 temporally independent prospective cohorts of anterior circulation in patients with large vessel occlusion acute ischemic stroke who successfully recanalized post-EVT. We measured plasma BD-Tau, GFAP (glial-fibrillary-acidic-protein), NfL (neurofilament-light-chain), and total-Tau upon admission, immediately, 24 hours, and 72 hours post-EVT. Twenty-four-hour neuroimaging and 90-day functional outcomes were independently assessed using the Alberta Stroke Program Early Computed Tomography Score (good outcome: >7 or unchanged) and the modified Rankin Scale (favorable outcome <3 or unchanged), respectively. Based on the first cohort (derivation), we built a multivariable logistic regression model to predict a 90-day functional outcome. Model results were evaluated using the second cohort (evaluation). RESULTS: In the derivation cohort (n=78, mean age=72.9 years, 50% women), 62% of patients had a good 24-hour neuroimaging outcome, and 45% had a favorable 90-day functional outcome. GFAP admission-to-EVT rate-of-change was the best predictor for early neuroimaging outcome but not for 90-day functional outcome. At admission, BD-Tau levels presented the highest discriminative performance for 90-day functional outcomes (area under the curve, 0.76 [95% CI, 0.65-0.87]; P<0.001). The model incorporating age, admission BD-Tau, and 24-hour Alberta Stroke Program Early Computed Tomography Score achieved excellent discrimination of 90-day functional outcome (area under the curve, 0.89 [95% CI, 0.82-0.97]; P<0.001). The score's predictive performance was maintained in the evaluation cohort (n=66; area under the curve, 0.82 [95% CI, 0.71-0.92]; P<0.001). CONCLUSIONS: Admission plasma BD-Tau accurately predicted 90-day functional outcomes in patients with large vessel occlusion acute ischemic stroke after successful EVT. The proposed model may predict functional outcomes using objective measures, minimizing human-related biases and serving as a simplified prognostic tool for AIS.

CD206+ macrophages are relevant non-invasive imaging biomarkers and therapeutic targets in experimental lung fibrosis.

BACKGROUND: Interstitial lung diseases (ILDs) include a large number of diseases associated with progressive pulmonary fibrosis (PPF), including idiopathic pulmonary fibrosis (IPF). Despite the rarity of each of the fibrotic ILDs individually, they cumulatively affect a considerable number of patients. PPF is characterised by an excessive collagen deposition leading to functional decline. OBJECTIVES: Therapeutic options are limited to nintedanib and pirfenidone which are only able to reduce fibrosis progression. CD206-expressing M2 macrophages are involved in fibrosis progression, and whether they may be relevant therapeutic targets or biomarkers remains an open question. RESULTS: In our study, CD206+ lung macrophages were monitored in bleomycin-induced lung fibrosis in mice by combining flow cytometry, scRNAseq and in vivo molecular imaging using a single photon emission computed tomography (SPECT) radiopharmaceutical, 99mTc-tilmanocept. The antifibrotic effect of the inhibition of M2 macrophage polarisation with a JAK inhibitor, tofacitinib, was assessed in vivo. We demonstrate that CD206-targeted in vivo SPECT imaging with 99mTc-tilmanocept was able to accurately detect and quantify the increase in CD206+ macrophages from early to advanced stages of experimental fibrosis and ex vivo in lung biopsies from patients with IPF. CD206-targeted imaging also specifically detected a decrease in CD206+ lung macrophages on nintedanib and tofacitinib treatment. Importantly, early in vivo imaging of CD206+ macrophages allowed the prediction of experimental lung fibrosis progression as well as nintedanib and tofacitinib efficacy. CONCLUSIONS: These findings indicate that M2 macrophages may be relevant theranostic targets for personalised medicine for patients with PPF.

Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures.

Two-dimensional (2D) Janus structures offer a unique range of properties as a result of their symmetry breaking, resulting from the distinct chemical composition on each side of the monolayers. Here, we report a theoretical investigation of 2D Janus Q'A'AQ P3m1 monochalcogenides from group IV (A and A' = Ge and Sn; Q, Q' = S and Se) and 2D non-Janus QAAQ P3̅m1 counterparts. Our theoretical framework is based on density functional theory calculations combined with maximally localized Wannier functions and tight-binding parametrization to evaluate the excitonic properties. The phonon band structures exhibit exclusively real (nonimaginary) branches for all materials. Particularly, SeGeSnS has greater energetic stability than its non-Janus counterparts, representing an outstanding energetic stability among the investigated materials. However, SGeSnS and SGeSnSe have higher formation energies than the already synthesized MoSSe, making them more challenging to grow than the other investigated structures. The electronic structure analysis demonstrates that materials with Janus structures exhibit band gaps wider than those of their non-Janus counterparts, with the absolute value of the band gap predominantly determined by the core rather than the surface composition. Moreover, exciton binding energies range from 0.20 to 0.37 eV, reducing band gap values in the range of 21% to 32%. Thus, excitonic effects influence the optoelectronic properties more than the point-inversion symmetry breaking inherent in the Janus structures; however, both features are necessary to enhance the interaction between the materials and sunlight. We also found anisotropic behavior of the absorption coefficient, which was attributed to the inherent structural asymmetry of the Janus materials.

A dataset on Nelore Cattle supplementation in the midwest region of brazil for integrated analysis of supplementation, satellite remote sensing, and weather variables.

Monitoring the herd during supplementation is essential to understanding animals' ingestive activities, making decisions when choosing the supplement parameters, and correctly managing the livestock and agriculture processes. Programmable Automatic Feeders (PAFs) are important tools that support stakeholders in the treatment process, decreasing the time and cost compared to traditional supplementation methods. This paper presents a dataset that consists of data acquired from a supplementation experiment using a PAF with a Nelore herd in a paddock of 16 ha with brachiaria Decumbens forage. The experiment was performed in the Midwest region of Brazil (20°26'37.7″S 54°50'58.5″W) and according to the Köppen climate classification system, the region has a tropical wet and dry climate (Aw). This climate type is typically associated with high temperatures throughout the year. The herd had free access to water and the forage. The PAF supplemented the herd three times a day and collected data such as the frequency and time spent in the feeder of each animal. The experiment data started in December 2022 up to October 2023. The animals were weighed every 13-28 days, and the animals' Average Daily Gain (ADG) was registered. In addition, spectral and weather parameters were acquired via geoprocessing and meteorological (Application Programming Interfaces - APIs). This dataset can support stakeholders in understanding the bovines' collective behaviour at the supplementation process and designing and developing machine-learning models to estimate the quantity of supplementation ingested by the herd.

A contribuição do pensamento de Paulo Freire para a Vigilância Popular em Saúde / The contribution of Paulo Freire's thought to Popular Health Surveillance

Resumo Paulo Freire pensava a Educação Popular (EP) como um processo emancipatório, por meio da problematização e agir crítico como dimensões da existência humana. A partir de suas contribuições aos campos da Educação e da Saúde, este texto tem como objetivo realizar uma revisão narrativa de literatura sobre as articulações das ideias de Paulo Freire com as ações de Vigilância Popular em Saúde (VPS). O texto apresenta como a contribuição de Paulo Freire e da Educação Popular em Saúde inspirou a construção de uma Vigilância Popular em Saúde, que busca promover a transformação da realidade local frente às situações de violações de direitos e na defesa da vida. Dessa maneira, experiências dos territórios e das populações em situação de vulnerabilidade, na maioria das vezes, lançam mão de estratégias pedagógicas da Educação Popular para se constituírem como práticas de VPS. É no território que a Educação Popular em Saúde se torna fundamental para o estímulo à transformação da percepção dos indivíduos, problematizando sua realidade. A promoção de uma práxis acerca da "situação limite" no cotidiano dos atores sociais permite um diagnóstico da realidade, baseado na informação científica em diálogo com a cultura e a organização popular, como possibilidade de construção de "inéditos viáveis".

Abstract Paulo Freire considered Popular Education (PE) as an emancipatory process, through debate and critical action, as a dimension of human existence. This text aims to conduct a narrative literature review on the articulations of Paulo Freire's ideas with Popular Health Surveillance (PHS) actions based on his contributions to Education and Health. The text presents how the contributions of Paulo Freire and Popular Health Education inspired the construction of Popular Health Surveillance, which seeks to promote the transformation of local reality in the face of rights violations and advocate for life. Thus, experiences from vulnerable territories and populations often use Popular Education pedagogical strategies to establish PHS practices. Popular Health Education becomes crucial in the territory to stimulate the transformation of individual perception and discuss their reality. Promoting a praxis about the "critical situation" in the daily lives of social stakeholders allows diagnosing reality based on scientific information in dialogue with culture and popular organization as a possibility of building the "viable unprecedented".

Low and High-Normal FMR1 Triplet Cytosine, Guanine Guanine Repeats Affect Ovarian Reserve and Fertility in Women Who Underwent In Vitro Fertilization Treatment? Results from a Cross-Sectional Study.

Dynamic mutations in the 5' untranslated region of FMR1 are associated with infertility. Premutation alleles interfere with prenatal development and increase infertility risks. The number of CGG repeats that causes the highest decrease in ovarian reserves remains unclear. We evaluated the effect of FMR1 CGG repeat lengths on ovarian reserves and in vitro fertilization (IVF) treatment outcomes in 272 women with alleles within the normal range. FMR1 CGG repeat length was investigated via PCR and capillary electrophoresis. Alleles were classified as low-normal, normal, and high-normal. Serum levels of follicle-stimulating hormone and anti-Mullerian hormone (AMH) in the follicular phase of the menstrual cycle were measured, and antral follicles (AFC) were counted. IVF outcomes were collected from medical records. Regarding FMR1 CGG repeat length alleles, 63.2% of women presented at least one low-normal allele. Those carrying low-normal alleles had significantly lower AMH levels than women carrying normal or high-normal alleles. Low-normal/low-normal genotype was the most frequent, followed by low-normal/normal and normal/normal. A comparison of ovarian reserve markers and reproductive outcomes of the three most frequent genotypes revealed that AFC in the low-normal/normal genotype was significantly lower than the low-normal/low-normal genotype. The low number of FMR1 CGG repeats affected AMH levels and AFC but not IVF outcomes per cycle of treatment.

Quantum Simulations and Experimental Insights into Glyphosate Adsorption Using Graphene-Based Nanomaterials.

The increasing global demand for food and agrarian development brings to light a dual issue concerning the use of substances that are crucial for increasing productivity yet can be harmful to human health and the environment when misused. Herein, we combine insights from high-level quantum simulations and experimental findings to elucidate the fundamental physicochemical mechanisms behind developing graphene-based nanomaterials for the adsorption of emerging contaminants, with a specific focus on pesticide glyphosate (GLY). We conducted a comprehensive theoretical and experimental investigation of graphene-based supports as promising candidates for detecting, sensing, capturing, and removing GLY applications. By combining ab initio molecular dynamics and density functional theory calculations, we explored several chemical environments encountered by GLY during its interaction with graphene-based substrates, including pristine and punctual defect regions. Our results unveiled distinct interaction behaviors: physisorption in pristine and doped graphene regions, chemisorption leading to molecular dissociation in vacancy-type defect regions, and complex transformations involving the capture of N and O atoms from impurity-adsorbed graphene, resulting in the formation of new GLY-derived compounds. The theoretical findings were substantiated by FTIR and Raman spectroscopy, which proposed a mechanism explaining GLY adsorption in graphene-based nanomaterials. The comprehensive evaluation of adsorption energies and associated properties provides valuable insights into the intricate nature of these interactions, shedding light on potential applications and guiding future experimental investigations of graphene-based nanofilters for water decontamination.

The contribution of Paulo Freire's thought to Popular Health Surveillance. / A contribuição do pensamento de Paulo Freire para a Vigilância Popular em Saúde.

Paulo Freire considered Popular Education (PE) as an emancipatory process, through debate and critical action, as a dimension of human existence. This text aims to conduct a narrative literature review on the articulations of Paulo Freire's ideas with Popular Health Surveillance (PHS) actions based on his contributions to Education and Health. The text presents how the contributions of Paulo Freire and Popular Health Education inspired the construction of Popular Health Surveillance, which seeks to promote the transformation of local reality in the face of rights violations and advocate for life. Thus, experiences from vulnerable territories and populations often use Popular Education pedagogical strategies to establish PHS practices. Popular Health Education becomes crucial in the territory to stimulate the transformation of individual perception and discuss their reality. Promoting a praxis about the "critical situation" in the daily lives of social stakeholders allows diagnosing reality based on scientific information in dialogue with culture and popular organization as a possibility of building the "viable unprecedented".

Paulo Freire pensava a Educação Popular (EP) como um processo emancipatório, por meio da problematização e agir crítico como dimensões da existência humana. A partir de suas contribuições aos campos da Educação e da Saúde, este texto tem como objetivo realizar uma revisão narrativa de literatura sobre as articulações das ideias de Paulo Freire com as ações de Vigilância Popular em Saúde (VPS). O texto apresenta como a contribuição de Paulo Freire e da Educação Popular em Saúde inspirou a construção de uma Vigilância Popular em Saúde, que busca promover a transformação da realidade local frente às situações de violações de direitos e na defesa da vida. Dessa maneira, experiências dos territórios e das populações em situação de vulnerabilidade, na maioria das vezes, lançam mão de estratégias pedagógicas da Educação Popular para se constituírem como práticas de VPS. É no território que a Educação Popular em Saúde se torna fundamental para o estímulo à transformação da percepção dos indivíduos, problematizando sua realidade. A promoção de uma práxis acerca da "situação limite" no cotidiano dos atores sociais permite um diagnóstico da realidade, baseado na informação científica em diálogo com a cultura e a organização popular, como possibilidade de construção de "inéditos viáveis".

Unveiling excitons in two-dimensional ß -pnictogens.

In this paper, we investigate the optical, electronic, vibrational, and excitonic properties of four two-dimensional ß -pnictogen materials-nitrogenene, phosphorene, arsenene, and antimonene-via density functional theory calculations and the Bethe-Salpeter equation. These materials possess indirect gaps with significant exciton binding energies, demonstrating isotropic behavior under circular light polarization and anisotropic behavior under linear polarization by absorbing light within the visible solar spectrum (except for nitrogenene). Furthermore, we observed that Raman frequencies red-shift in heavier pnictogen atoms aligning with experimental observations; simultaneously, quasi-particle effects notably influence the linear optical response intensively. These monolayers' excitonic effects lead to optical band gaps optimized for solar energy harvesting, positioning them as promising candidates for advanced optoelectronic device applications.

Signature of excitonic insulators in phosphorene nanoribbons.

Phosphorene is a recently developed two-dimensional (2D) material that has attracted tremendous attention because of its unique anisotropic optical properties and quasi-one-dimensional (1D) excitons. We use first-principles calculations combined with the maximally localized Wannier function tight binding Hamiltonian and Bethe-Salpeter equation (BSE) formalism to investigate quasiparticle effects of 2D and quasi-1D blue and black phosphorene nanoribbons. Our electronic structure calculations shows that both blue and black monolayered phases are semiconductors. On the other hand black phosphorene zigzag nanoribbons are metallic. Similar behavior is found for very thin blue phosphorene zig-zag and armchair nanoribbon. As a general behavior, the exciton binding energy decreases as the ribbon width increases, which highlights the importance of quantum confinement effects. The solution of the BSE shows that the blue phosphorene monolayer has an exciton binding energy four times higher than that of the black phosphorene counterpart. Furthermore, both monolayers show a different linear optical response with respect to light polarization, as black phosphorene is highly anisotropic. We find a similar, but less pronounced, optical anisotropy for blue phosphorene monolayer, caused exclusively by the quasi-particle effects. Finally, we show that some of the investigated nanoribbons show a spin-triplet excitonic insulator behavior, thus revealing exciting features of these nanoribbons and therefore provides important advances in the understanding of quasi-one dimensional phosphorus-based materials.

Cytogenetics investigation in 151 Brazilian infertile male patients and genomic analysis in selected cases: experience of 14 years in a public genetic service.

OBJECTIVES: Male infertility accounts for approximately 30% of cases of reproductive failure. The characterization of genetic variants using cytogenomic techniques is essential for the adequate clinical management of these patients. We aimed to conduct a cytogenetic investigation of numerical and structural rearrangements and a genomic study of Y chromosome microdeletions/microduplications in infertile men derived from a single centre with over 14 years of experience. RESULTS: We evaluated 151 infertile men in a transversal study using peripheral blood karyotypes and 15 patients with normal karyotypes through genomic investigation by multiplex ligation-dependent probe amplification (MLPA) or polymerase chain reaction of sequence-tagged sites (PCR-STS) techniques. Out of the 151 patients evaluated by karyotype, 13 presented chromosomal abnormalities: two had numerical alterations, and 11 had structural chromosomal rearrangements. PCR-STS detected a BPY2 gene region and RBMY2DP pseudogene region microdeletion in one patient. MLPA analysis allowed the identification of one patient with CDY2B_1 and CDY2B_2 probe duplications (CDY2B and NLGN4Y genes) and one patient with BPY2_1, BPY2_2, and BPY2_4 probe duplications (PRY and RBMY1J genes).

Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites.

Efficient surface passivation and toxic lead (Pb) are known obstacles to the photovoltaic application of perovskite-based solar cells. A possible solution for these problems is to use thin-films of two-dimensional (2D) perovskite-based materials and the replacement of Pb with alternative divalent cations (B); however, our atomistic understanding of the differences between (3D) three-dimensional and 2D perovskite-based materials is far from satisfactory. Herein, we report a systematic theoretical investigation based on ab initio density functional theory (DFT) calculations for both 3D MABX3 and the Ruddlesden-Popper 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb, and X = Cl, Br, I) compounds to investigate the differences (contrasts) in selected physical-chemical properties, i.e., structural parameters, energetic stability, electronic, and optical properties. We found an increased cation/anion charge separation because of the presence of organic spacers, which results in stronger Coulomb interactions in the inorganic framework, and hence, it enhances the cohesive energy (stability) within the inorganic layer. The inorganic layer constitutes the optically active region that contributes to the superior performance of perovskite-based solar cells. We quantified this effect by comparing the average electronic charges at the X sites in both 2D and 3D perovskites. This comparison is then correlated with variations in BX6-octahedron volumes, resulting in a monotonic relation. Moreover, the electronic structure characterization demonstrates that Ge-based systems present weakly sensitive band gaps to dimensionality due to a compensatory effect between Jahn-Teller distortions and quantum confinement. Lead-free GeI-, SnBr-, and SnI-based perovskites have DFT band gaps closer to the optimal value used in photovoltaic applications. Finally, as expected, the 2D systems absorption coefficients show pronounced anisotropy.

Mathematical models for predicting protodioscin in tropical forage grasses.

Protodioscin is a saponin present in grasses that can lead to losses in animal production. Our hypothesis was that mathematical models can accurately and precisely predict the protodioscin concentration in tropical grasses. We evaluated the ability of four mathematical models to describe the protodioscin concentration in Brachiaria and Panicum cultivars with different regrowth periods. Six cultivars of Panicum: Aruana, Massai, Mombaça, Tanzânia, Tamani, and Zuri; and five of Brachiaria-grass: Marandu, Paiaguás, Piatã, Xaraés and Basilisk. Protodioscin concentration evaluations were carried out at 51, 84, 110, and 111 days of age. Linear, Quadratic, Exponential, and Logarithmic models were evaluated, and the adequacy of the models was verified. The models were compared for accuracy and precision by pairwise mean squared error analysis and the delta Akaike information criterion. The models did not differ from each other in terms of accuracy and precision. The exponential model showed a high ability to explain the observed variability between protodioscin concentration and plant age for Brachiaria grasses. Panicum grasses have constant protodioscin concentration. Mathematical models are capable of predicting the protodioscin concentration in grasses of the genus Brachiaria based on plant age. We recommend Exponential model to predict the concentration of protodioscin in Brachiaria grasses.

Nutrient intake, productive and metabolic parameters of Nellore bulls feed a forage free diet using cottonseed cake as a fiber source.

We hypothesized that cottonseed cake in confined Nellore young bulls' diet as fiber source, could maintain or improve the nutrient intake, and productive and metabolic parameters. It was evaluated the total replacement of whole plant corn silage (WPCS) by cottonseed cake (CSC) as a source of fiber in the diet. A completely randomized design with two treatments and 12 replications was used. The treatments were two experimental diets containing 300 g/kg of WPCS or CSC as roughage. All animals at 0, 15, 30, 60 and 112 days were weighed to monitor productive performance and nutrient intake. Dry matter intakes, organic matter, neutral detergent fiber, physically effective neutral detergent fiber, crude protein and non-fiber carbohydrates of the WPCS treatment cattle were higher (p < 0.05), and the ethereal extract intake of cattle fed CSC diet was higher. The BW of cattle fed WPCS was higher in the two initial periods of confinement (p < 0.05). Animals from both treatments showed linear growth during the confinement period. There was a fiber source × period interaction for total weight gain (TWG), average daily gain (ADG) and feed efficiency (FE) (p < 0.05), with the lowest in the first 15 days and the highest at 30 days, reflecting a compensatory gain in animals fed with CSC. Bulls fed with CSC showed negative TWG and ADG in the first period (p < 0.05), but recovered in the following periods, surpassing that of the SC treatment in the last two periods. There was negative EF of bulls fed with CSC in the first period (P < 0.05), but in the following periods the CSC diet did not differ from the WPCS diet. The animals fed CSC diet showed a higher concentration of cholesterol and glucose in the blood plasma (p < 0.05). The forage-free diet containing cottonseed cake as a source of fiber replacing corn silage promoted better animal performance.

Ventilator hyperinflation associated with flow bias optimization in the bronchial hygiene of mechanically ventilated patients.

BACKGROUND: Ventilation configurations are of great clinical importance for adequate outcomes in mechanically ventilated patients, and they may even be used as specific physical therapy techniques. OBJECTIVES: To compare the effectiveness of lung hyperinflation through mechanical ventilation (HMV) with HMV plus flow bias optimization regarding respiratory mechanics, hemodynamics, and volume of secretion. METHODS: Patients mechanically ventilated > 24 h were included in this randomized crossover clinical trial. The following techniques were applied: HMV alone (control group) and HMV plus flow bias optimization (intervention group). RESULTS: The 20 included patients underwent both techniques, totaling 40 collections. A total of 52 % were women, the mean age was 60.8 (SD, 15.7) years, and the mean mechanical ventilation time was 4.3 (SD, 3.0) days. The main cause of mechanical ventilation was sepsis (44 %). Expiratory flow bias in optimized HMV was higher. than conventional HMV (p < 0.001). The volume of tracheal secretions collected was higher during optimized than conventional HMV. (p = 0.012). Significant differences in peak flow occurred at the beginning of the technique and a there was a significant decrease in respiratory system resistance immediately and 30 min after applying the technique in the intervention group. CONCLUSIONS: The volume of tracheal secretions collected was higher during optimized HMV, and, HMV with flow bias optimization resulted in lower respiratory system resistance and flow peaks and produced expiratory flow bias.

Promising TMDC-like optical and excitonic properties of the TiBr2 2H monolayer.

The presented simulation protocol provides a solid foundation for exploring two-dimensional materials. Taking the TiBr2 2H monolayer as an example, this material displays promising TMDC-like optical and excitonic properties, making it an excellent candidate for optoelectronic and valleytronic applications. The direct band gap semiconductor (1.19 eV) is both structurally and thermodynamically stable, with spin-orbit coupling effects revealing a broken mirror symmetry in the K and K' valleys of the band structure, as confirmed by opposite values of the Berry curvature. A direct and bright exciton ground state was found, with an exciton binding energy of 0.56 eV. The study also revealed an optical helicity selection rule, suggesting selectivity in the valley excitation by specific circular light polarizations.