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In this study, a model was developed to simulate the effect of temperature ( T $T$ ) and initial substrate concentration ( S 0 ${S}_{0}$ ) on the ethanol concentration limit ( P max ${P}_{\max }$ ) using the yeast Saccharomyces cerevisiae. To achieve this, regressions were performed using data provided by other authors for P max ${P}_{\max }$ to establish a model dependent on T $T$ and S 0 ${S}_{0}$ capable of predicting results with statistical significance. After constructing the model, a response surface was generated to determine the conditions where P max ${P}_{\max }$ reaches higher values: temperatures between 28°C and 32°C and an initial substrate concentration around 200 g/L. Thus, the proposed model is consistent with the observations that increasing temperatures decrease the ethanol concentration obtained, and substrate concentrations above 200 g/L lead to a reduction in ethanol concentration even at low temperatures such as 28°C.
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Etanol , Modelos Biológicos , Saccharomyces cerevisiae , Temperatura , Saccharomyces cerevisiae/metabolismo , Etanol/metabolismo , FermentaçãoRESUMO
Generally, medicinal plants are harvested with high amount of water, so it is essential to subject the product to drying as soon as possible to prevent degradation before application. Most compounds from medicinal plants are sensitive to drying processes, so it is important to adjust the drying conditions. The objective of this study was to describe the drying of Rue (Ruta chalepensis L.) leaves, select the models that best fit each drying condition, determine the activation energy and thermodynamic properties of the leaves, and evaluate their quality after drying. Leaves were harvested with moisture content of 3.55 ± 0.05 kg water kg-1dry matter and subjected to drying at temperatures of 40, 50, 60 and 70 °C. Valcam model showed the best fit to represent the drying kinetics of Rue leaves at temperatures of 40 and 70 °C, and Midilli model proved to be better for the temperatures of 50 and 60 °C. Effective diffusion coefficient increased linearly with the increase in drying air temperature, and the activation energy was 60.58 kJ mol-1. Enthalpy, entropy and Gibbs free energy values ranged from 57.973 to 57.723 kJ mol-1, from - 0.28538 to - 0.28614 kJ mol-1 K-1 and from 147.34 to 155.91 kJ mol-1, respectively, for the temperature range of 40-70 °C. Drying air temperature promoted darkening or tendency to loss of green color; increase in drying air temperature leads to greater discoloration, as well as a higher concentration of total phenolic compounds (about 221.10 mg GAE mL-1 g-1 dm), with a peak at temperature of 60 °C.
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Dessecação , Folhas de Planta , Termodinâmica , Folhas de Planta/química , Cinética , Dessecação/métodos , Temperatura , Água/química , Plantas Medicinais/químicaRESUMO
Pterocaulon polystachyum is a species of pharmacological interest for providing volatile and non-volatile extracts with antifungal and amebicidal properties. The biological activities of non-volatile extracts may be related to the presence of coumarins, a promising group of secondary metabolites. In the present study, leaves and inflorescences previously used for the extraction of essential oils instead of being disposed of were subjected to extraction with supercritical CO2 after pretreatment with microwaves. An experimental design was followed to seek the best extraction condition with the objective function being the maximum total extract. Pressure and temperature were statistically significant factors, and the optimal extraction condition was 240 bar, 60 °C, and pretreatment at 30 °C. The applied mathematical models showed good adherence to the experimental data. The extracts obtained by supercritical CO2 were analyzed and the presence of coumarins was confirmed. The extract investigated for cytotoxicity against bladder tumor cells (T24) exhibited significant reduction in cell viability at concentrations between 6 and 12 µg/mL. The introduction of green technology, supercritical extraction, in the exploration of P. polystachyum as a source of coumarins represents a paradigm shift with regard to previous studies carried out with this species, which used organic solvents. Furthermore, the concept of circular bioeconomy was applied, i.e., the raw material used was the residue of a steam-distillation process. Therefore, the approach used here is in line with the sustainable exploitation of native plants to obtain extracts rich in coumarins with cytotoxic potential against cancer cells.
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Dióxido de Carbono , Cromatografia com Fluido Supercrítico , Cumarínicos , Extratos Vegetais , Cumarínicos/química , Cumarínicos/isolamento & purificação , Cumarínicos/farmacologia , Dióxido de Carbono/química , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Extratos Vegetais/isolamento & purificação , Humanos , Cromatografia com Fluido Supercrítico/métodos , Componentes Aéreos da Planta/química , Linhagem Celular Tumoral , Sobrevivência Celular/efeitos dos fármacos , Antineoplásicos Fitogênicos/farmacologia , Antineoplásicos Fitogênicos/química , Antineoplásicos Fitogênicos/isolamento & purificaçãoRESUMO
In this paper, we presented a mathematical model for tuberculosis with treatment for latent tuberculosis cases and incorporated social implementations based on the impact they will have on tuberculosis incidence, cure, and recovery. We incorporated two variables containing the accumulated deaths and active cases into the model in order to study the incidence and mortality rate per year with the data reported by the model. Our objective is to study the impact of social program implementations and therapies on latent tuberculosis in particular the use of once-weekly isoniazid-rifapentine for 12 weeks (3HP). The computational experimentation was performed with data from Brazil and for model calibration, we used the Markov Chain Monte Carlo method (MCMC) with a Bayesian approach. We studied the effect of increasing the coverage of social programs, the Bolsa Familia Programme (BFP) and the Family Health Strategy (FHS) and the implementation of the 3HP as a substitution therapy for two rates of diagnosis and treatment of latent at 1% and 5%. Based of the data obtained by the model in the period 2023-2035, the FHS reported better results than BFP in the case of social implementations and 3HP with a higher rate of diagnosis and treatment of latent in the reduction of incidence and mortality rate and in cases and deaths avoided. With the objective of linking the social and biomedical implementations, we constructed two different scenarios with the rate of diagnosis and treatment. We verified with results reported by the model that with the social implementations studied and the 3HP with the highest rate of diagnosis and treatment of latent, the best results were obtained in comparison with the other independent and joint implementations. A reduction of the incidence by 36.54% with respect to the model with the current strategies and coverage was achieved, and a greater number of cases and deaths from tuberculosis was avoided.
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Antituberculosos , Teorema de Bayes , Isoniazida , Tuberculose Latente , Cadeias de Markov , Conceitos Matemáticos , Método de Monte Carlo , Rifampina , Humanos , Brasil/epidemiologia , Incidência , Isoniazida/administração & dosagem , Antituberculosos/administração & dosagem , Rifampina/administração & dosagem , Rifampina/análogos & derivados , Rifampina/uso terapêutico , Tuberculose Latente/epidemiologia , Tuberculose Latente/tratamento farmacológico , Tuberculose Latente/mortalidade , Modelos Biológicos , Tuberculose/mortalidade , Tuberculose/epidemiologia , Tuberculose/tratamento farmacológico , Simulação por ComputadorRESUMO
BACKGROUND AND OBJECTIVES: Laser ablation is increasingly used to treat atrial fibrillation (AF). However, atrioesophageal injury remains a potentially serious complication. While proactive esophageal cooling (PEC) reduces esophageal injury during radiofrequency ablation, the effects of PEC during laser ablation have not previously been determined. We aimed to evaluate the protective effects of PEC during laser ablation of AF by means of a theoretical study based on computer modeling. METHODS: Three-dimensional mathematical models were built for 20 different cases including a fragment of atrial wall (myocardium), epicardial fat (adipose tissue), connective tissue, and esophageal wall. The esophagus was considered with and without PEC. Laser-tissue interaction was modeled using Beer-Lambert's law, Pennes' Bioheat equation was used to compute the resultant heating, and the Arrhenius equation was used to estimate the fraction of tissue damage (FOD), assuming a threshold of 63% to assess induced necrosis. We modeled laser irradiation power of 8.5 W over 20 s. Thermal simulations extended up to 250 s to account for thermal latency. RESULTS: PEC significantly altered the temperature distribution around the cooling device, resulting in lower temperatures (around 22°C less in the esophagus and 9°C in the atrial wall) compared to the case without PEC. This thermal reduction translated into the absence of transmural lesions in the esophagus. The esophagus was thermally damaged only in the cases without PEC and with a distance equal to or shorter than 3.5 mm between the esophagus and endocardium (inner boundary of the atrial wall). Furthermore, PEC demonstrated minimal impact on the lesion created across the atrial wall, either in terms of maximum temperature or FOD. CONCLUSIONS: PEC reduces the potential for esophageal injury without degrading the intended cardiac lesions for a variety of different tissue thicknesses. Thermal latency may influence lesion formation during laser ablation and may play a part in any collateral damage.
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Fibrilação Atrial , Ablação por Cateter , Terapia a Laser , Humanos , Esôfago/cirurgia , Esôfago/lesões , Esôfago/patologia , Átrios do Coração/cirurgia , Fibrilação Atrial/cirurgia , Lasers , Computadores , Ablação por Cateter/métodosRESUMO
The monkeypox virus (MPXV) has caused an unusual epidemiological scenario-an epidemic within a pandemic (COVID-19). Despite the inherent evolutionary and adaptive capacity of poxviruses, one of the potential triggers for the emergence of this epidemic was the change in the status of orthopoxvirus vaccination and eradication programs. This epidemic outbreak of HMPX spread worldwide, with a notable frequency in Europe, North America, and South America. Due to these particularities, the objective of the present study was to assess and compare cases of HMPX in these geographical regions through logistic and Gompertz mathematical modeling over one year since its inception. We estimated the highest contagion rates (people per day) of 690, 230, 278, and 206 for the world, Europe, North America, and South America, respectively, in the logistic model. The equivalent values for the Gompertz model were 696, 268, 308, and 202 for the highest contagion rates. The Kruskal-Wallis Test indicated different means among the geographical regions affected by HMPX regarding case velocity, and the Wilcoxon pairwise test indicated the absence of significant differences between the case velocity means between Europe and South America. The coefficient of determination (R2) values in the logistic model varied from 0.8720 to 0.9023, and in the Gompertz model, they ranged from 0.9881 to 0.9988, indicating a better fit to the actual data when using the Gompertz model. The estimated basic reproduction numbers (R0) were more consistent in the logistic model, varying from 1.71 to 1.94 in the graphical method and from 1.75 to 1.95 in the analytical method. The comparative assessment of these mathematical modeling approaches permitted the establishment of the Gompertz model as the better-fitting model for the data and the logistic model for the R0. However, both models successfully represented the actual HMPX case data. The present study estimated relevant epidemiological data to understand better the geographic similarities and differences in the dynamics of HMPX.
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This article presents an improved mathematical model and numerical simulation for weathering of large areas with complex topography. It uses the equations of momentum, temperature, and humidity in turbulent air and for heat and water infiltration into soils. A mathematical model is also presented to calculate the soil porosity fraction produced by physical rock weathering in areas where soil is produced from intrusive rocks (batholiths). An algorithm based on air velocity, humidity (rainfall), temperature variation, and soil topography was developed to quantify soil erosion and change of relief at each point and time step in air, at the ground surface, and within the soil. This results in a complete air-soil model based on conservation laws that have not previously been applied to large areas of the earth's surface. The mathematical model is solved using large-scale numerical simulations applied to an area of 6.6 km2 in the Sierra Nevada batholith of California, USA. The results show that the wind velocity and resulting erosion is greater in areas with steeper slopes and that moisture accumulates mainly in low and flat areas; therefore, erosion is not uniform throughout the study area. In addition, computer simulations localized calculations to discrete grid cells within the porous (saprolite) fraction of the soil produced by freezing and thawing of water in rock. Results indicate that this physical mechanism is the primary contributor to weathering of rock at the study area.
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Sharka is a disease affecting stone fruit trees. It is caused by the Plum pox virus (PPV), with Myzus persicae being one of the most efficient aphid species in transmitting it within and among Prunus orchards. Other agricultural management strategies are also responsible for the spread of disease among trees, such as grafting and pruning. We present a mathematical model of impulsive differential equations to represent the dynamics of Sharka disease in the tree and vector population. We consider three transmission routes: grafting, pruning, and through aphid vectors. Grafting, pruning, and vector control occur as pulses at specific instants. Within the model, human risk perception towards disease influences these agricultural management strategies. Model results show that grafting with infected biological material has a significant impact on the spread of the disease. In addition, detecting infectious symptomatic and asymptomatic trees in the short term is critical to reduce disease spread. Furthermore, vector control to prevent aphid movement between trees is crucial for disease mitigation, as well as implementing awareness campaigns for Sharka disease in agricultural communities that provide a long-term impact on responsible pruning, grafting, and vector control.
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In the present work, the inhibitory effect of the peptide fractions, obtained through enzymatic hydrolysis of bovine plasma was evaluated, on the enzyme used in the reaction (Alcalase 2.4 L). In this sense, Ultra-filtered peptide fractions of different molecular sizes (A: Fraction>10; B: Fraction 10-3 kDa; and C: Fraction <3 kDa), were used to verify the impact on the total hydrolysis rate. The Fractions between 3 and 10 kDa were refined to fit a conceptual kinetic model which considers inhibition by product and substrate. Additionally, the inactivation of the enzyme through the reaction time was evaluated and its effects incorporated into the model. It was shown that some peptides released in the successive stages of the reaction can in turn inhibit the activity of the hydrolyzing enzyme. The model evaluated suggests a time-varying expression of inhibition parameters as a function of the initial substrate concentration in the reaction. This is based on the kinetic changes of the product profiles for each reaction time in the evaluated operating conditions (S0 variable). A greater inhibitory effect due to the products is evidenced when the reaction occurs with a higher load of the initial substrate (S0 = 20 g/L).