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Bioinformatics has expedited the screening of new efficient therapeutic agents for diseases such as diabetes mellitus (DM). The objective of this systematic review (SR) was to understand naturally occurring proteins and peptides studied in silico and subsequently reevaluated in vivo for treating DM, guided by the question: which peptides or proteins have been studied in silico for the treatment of diabetes mellitus? The RS protocol was registered in the International Prospective Register of Systematic Reviews database. Articles meeting the eligibility criteria were selected from the PubMed, ScienceDirect, Scopus, Web of Science, Virtual Health Library (VHL), and EMBASE databases. Five studies that investigated peptides or proteins analyzed in silico and in vivo were selected. Risk of bias assessment was conducted using the adapted Strengthening the Reporting of Empirical Simulation Studies (STRESS) tool. A diverse range of assessed proteins and/or peptides that had a natural origin were investigated in silico and corresponding in vivo reevaluation demonstrated reductions in glycemia and/or insulin, morphological enhancements in pancreatic ß cells, and alterations in the gene expression of markers associated with DM. The in silico studies outlined offer crucial insights into therapeutic strategies for DM, along with promising leads for screening novel therapeutic agents in future trials.

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Cryoablation is a well-established medical procedure for surgically treating atrial fibrillation. Cryothermal catheter therapy induces cellular necrosis by freezing the insides of pulmonary veins, with the goal of disrupting abnormal electrical heart signals. Nevertheless, tissue damage induced by cold temperatures may also lead to other complications after cardiac surgery. In this sense, the simulation of catheter ablation can provide safer environments for training and the performance of cryotherapy interventions. Therefore, in this paper, we propose a novel approach to help better understand how temperature rates can affect this procedure by using computer tools to develop a simulation framework to predict lesion size and determine optimal temperature conditions for reducing the risk of major complications. The results showed that a temperature profile of around -40 °C caused less penetration, reduced necrotic damage, and smaller lesion size in the tissue. Instead, cryotherapy close to -60 °C achieved a greater depth of temperature flow inside the tissue and a larger cross-section area of the lesion. With further development and validation, the framework could represent a cost-effective strategy for providing personalized modeling, better planning of cryocatheter-based treatment, and preventing surgical complications.

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In the age of information technology and the additional computational search tools and software available, this systematic review aimed to identify potential therapeutic targets for obesity, evaluated in silico and subsequently validated in vivo. The systematic review was initially guided by the research question "What therapeutic targets have been used in in silico analysis for the treatment of obesity?" and structured based on the acronym PECo (P, problem; E, exposure; Co, context). The systematic review protocol was formulated and registered in PROSPERO (CRD42022353808) in accordance with the Preferred Reporting Items Checklist for Systematic Review and Meta-Analysis Protocols (PRISMA-P), and the PRISMA was followed for the systematic review. The studies were selected according to the eligibility criteria, aligned with PECo, in the following databases: PubMed, ScienceDirect, Scopus, Web of Science, BVS, and EMBASE. The search strategy yielded 1142 articles, from which, based on the evaluation criteria, 12 were included in the systematic review. Only seven these articles allowed the identification of both in silico and in vivo reassessed therapeutic targets. Among these targets, five were exclusively experimental, one was exclusively theoretical, and one of the targets presented an experimental portion and a portion obtained by modeling. The predominant methodology used was molecular docking and the most studied target was Human Pancreatic Lipase (HPL) (n = 4). The lack of methodological details resulted in more than 50% of the papers being categorized with an "unclear risk of bias" across eight out of the eleven evaluated criteria. From the current systematic review, it seems evident that integrating in silico methodologies into studies of potential drug targets for the exploration of new therapeutic agents provides an important tool, given the ongoing challenges in controlling obesity.

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Using mathematical models of physiological systems in medicine has allowed for the development of diagnostic, treatment, and medical educational tools. However, their complexity restricts, in most cases, their application for predictive, preventive, and personalized purposes. Although there are strategies that reduce the complexity of applying models based on fitting techniques, most of them are focused on a single instant of time, neglecting the effect of the system's temporal evolution. The objective of this research was to introduce a dynamic fitting strategy for physiological models with an extensive array of parameters and a constrained amount of experimental data. The proposed strategy focused on obtaining better predictions based on the temporal trends in the system's parameters and being capable of predicting future states. The study utilized a cardiorespiratory model as a case study. Experimental data from a longitudinal study of healthy adult subjects undergoing aerobic exercise were used for fitting and validation. The model predictions obtained in a steady state using the proposed strategy and the traditional single-fit approach were compared. The most successful outcomes were primarily linked to the proposed strategy, exhibiting better overall results regarding accuracy and behavior than the traditional population fitting approach at a single instant in time. The results evidenced the usefulness of the dynamic fitting strategy, highlighting its use for predictive, preventive, and personalized applications.

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The aim of this study was to use computer simulation to analyze the impact of the aluminum fixing support on the Reference Air Kerma (RAK), a physical quantity obtained in a calibration system that was experimentally developed in the Laboratory of Radiological Sciences of the University of the State of Rio de Janeiro (LCR-UERJ). Correction factors due to scattered radiation and the geometry of the192Ir sources were also sought to be determined. The computational simulation was validated by comparing some parameters of the experimental results with the computational results. These parameters were: verification of the inverse square law of distance, determination of (RAKR), analysis of the source spectrum with and without encapsulation, and the sensitivity curve of the Sourcecheck 4PI ionization chamber response, as a function of the distance from the source along the axial axis, using the microSelectron-v2 (mSv2) and GammaMedplus (GMp) sources. Kerma was determined by activity in the Reference air, with calculated values of 1.725 × 10-3U. Bq-1and 1.710 × 10-3U. Bq-1for the ionization chamber NE 2571 and TN 30001, respectively. The expanded uncertainty for these values was 0.932% and 0.919%, respectively, for a coverage factor (k = 2). The correction factor due to the influence of the aluminum fixing support for measurements at 1 cm and 10 cm from the source was 0.978 and 0.969, respectively. The geometric correction factor of the sources was ksg= 1.005 with an expanded uncertainty of 0.7% for a coverage factor (k = 2). This value has a difference of approximately 0.2% compared to the experimental values.

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Introducción: La modelación de los flujos de pacientes se considera una herramienta clave para el análisis y mejora de las trayectorias intrahospitalarias. Objetivo: Desarrollar y validar, en un servicio de cirugía general, un modelo matemático para la gestión de flujos de pacientes en servicios hospitalarios. Métodos: Se desarrolló una investigación de tipo cuantitativa descriptiva. Se analizaron diferentes modelos de gestión y se identificaron brechas a solventar. Para su concepción se diseñó un procedimiento metodológico que tiene en cuenta la agrupación de pacientes en categorías diagnósticas mayores, en función de características clínicas homogéneas y similar consumo de recursos. Resultados: Se identificó como problema principal la insuficiente gestión de los flujos de pacientes. Se construyó un modelo matemático de simulación discreta que se validó mediante la comparación de datos reales del servicio y las opiniones subjetivas de especialistas. Se identificó que los recursos limitantes del sistema son las enfermeras y las camas con porcentajes de utilización de 93,377 % y 89,265 % respectivamente. Conclusiones: Se desarrolla un modelo para la gestión de los flujos de pacientes en el servicio de cirugía general y se demuestra su influencia en el análisis, el proceso de toma de decisiones y la mejora de la gestión.

Introduction: Patient flow modeling is considered a key tool for the analysis and improvement of in-hospital trajectories. Objective: To develop and validate a mathematical model for the patient flows management in hospital in a General Surgery service. Methods: A descriptive quantitative research was developed. Different management models were analyzed and gaps to be solved were identified. For its conception, a methodological procedure was designed that takes into account the grouping of patients in Major Diagnostic Categories according to homogeneous clinical characteristics and similar resource consumption. Results: Insufficient patient flow management was identified as the main problem. A mathematical model of discrete simulation was built and validated by comparing real data from the service and the subjective opinions of specialists. It was identified that the limiting resources of the system are nurses and beds with utilization percentages of 93.377% and 89.265% respectively. Conclusions: A model for the patient flows management in the General Surgery service is developed and its influence on the analysis, decision-making process and management improvement is demonstrated.

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OBJECTIVES: The present study aimed to determine in silico toxicity predictions of test compounds from hydraulic calcium silicate-based sealers (HCSBS) and AH Plus and computationally simulate the interaction between these substances and mediators of periapical inflammation via molecular docking. MATERIALS AND METHODS: All chemical information of the test compounds was obtained from the PubChem site. Predictions for bioavailability and toxicity analyses were determined by the Molinspiration Cheminformatics, pkCSM, ProTox-II and OSIRIS Property Explorer platforms. Molecular docking was performed using the Autodock4 AMDock v.1.5.2 program to analyse interactions between proteins (IL-1ß, IL-6, IL-8, IL-10 and TNF-α) and ligands (calcium silicate hydrate, zirconium oxide, bisphenol-A epoxy resin, dibenzylamine, iron oxide and calcium tungstate) to establish the affinity and bonding mode between systems. RESULTS: Bisphenol-A epoxy resin had the lowest maximum dose tolerated in humans and was the test compound with the largest number of toxicological properties (hepatotoxicity, carcinogenicity and irritant). All systems had favourable molecular docking. However, the ligands bisphenol-A epoxy resin and dibenzylamine had the greatest affinity with the cytokines tested. CONCLUSION: In silico predictions and molecular docking pointed the higher toxicity and greater interaction with mediators of periapical inflammation of the main test compounds from AH Plus compared to those from HCSBS. CLINICAL RELEVANCE: This is the first in silico study involving endodontic materials and may serve as the basis for further research that can generate more data, producing knowledge on the interference of each chemical compound in the composition of different root canal sealers.

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ABSTRACT Purpose: To assess the effect of the coronavirus disease 2019 (COVID-19) pandemic on cataract surgery by residents who had mandatory surgical simulator training during residency. Methods: In this retrospective, observational analytical study, the total number of cataract surgeries and surgical complications by all senior residents of 2019 (2019 class; prepandemic) and 2020 (2020 class; affected by the reduced number of elective surgeries due to the COVID-19 pandemic) were collected and compared. All residents had routine mandatory cataract surgery training on a virtual surgical simulator during residency. The total score obtained by these residents on cataract challenges of the surgical simulator was also evaluated. Results: The 2020 and 2019 classes performed 1275 and 2561 cataract surgeries, respectively. This revealed a reduction of 50.2% in the total number of procedures performed by the 2020 class because of the pandemic. The incidence of surgical complications was not statistically different between the two groups (4.2% in the 2019 class and 4.9% in the 2020 class; p=0.314). Both groups also did not differ in their mean scores on the simulator's cataract challenges (p<0.696). Conclusion: Despite the reduction of 50.2% in the total number of cataract surgeries performed by senior residents of 2020 during the COVID-19 pandemic, the incidence of surgical complications did not increase. This suggests that surgical simulator training during residency mitigated the negative effects of the reduced surgical volume during the pandemic.

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El artículo ha tenido como objetivo reseñar, de forma cronológica, los acontecimientos más relevantes relacionados con la utilización de simulaciones computarizadas en el proceso docente, en el contexto particular de la Facultad de Ciencias Médicas de Cienfuegos durante el periodo 1990-2007. Entre los acontecimientos identificados se encuentran los siguientes: la elaboración e introducción de simulaciones en la asignatura Medicina Interna correspondiente al tercer año de la carrera (curso 1990-1991); la introducción de la simulación, con fines evaluativos, en el internado de Medicina Interna (1997-2000); el desarrollo de un nuevo software para la elaboración de simulaciones (2002); y la extensión del uso de simulaciones a los seminarios de actualización terapéutica correspondientes al internado de Pediatría (2007). Se evidenció que la contribución realizada por la institución docente al tema abordado, no solo consistió en la elaboración de ejercicios de simulación y su introducción en la práctica formativa, sino también en la ejecución de acciones dirigidas a la capacitación de profesores, el perfeccionamiento de las herramientas utilizadas (programas, metodologías) y la socialización de las experiencias; todo lo cual se acompañó de una amplia actividad investigativa que mereció reconocimientos a diferentes niveles.

The objective of this article is to review chronologically, the most relevant events related to the use of computerized simulations in the teaching process, in the particular context of the Cienfuegos Medical Sciences Faculty from 1990 to 2007. Among the identified events are: the development and introduction of simulations in the Internal Medicine subject corresponding to the third year of the degree (course 1990-1991); the introduction of simulation, for evaluation purposes, in the Internal Medicine internship (1997-2000); the development of a new software for the elaboration of simulations (2002); and the extension of the use of simulations to therapeutic update seminars corresponding to the Pediatrics internship (2007). It was evidenced that the contribution made by the educational institution to the topic addressed, not only consisted in the preparation of simulation exercises and their introduction in the training practice, but also in the teacher training, the improvement of the tools used (programs, methodologies) and the sharing of experiences; all of which was accompanied by extensive research activity that deserved recognition at different levels.

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This study aimed to develop and investigate the synthesis of 2-ethylhexyl oleate catalyzed by Candida antarctica lipase immobilized on magnetic poly(styrene-co-divinylbenzene) (STY-DVB-M) particles in a magnetically stabilized fluidized bed reactor (MSFBR) operated in continuous mode. The physical properties of the copolymer were characterized by Fourier-transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). The glass transition temperature was 85.68 °C, and the onset of thermal degradation occurred at 406.66 °C. Syntheses were performed at 50 °C using a space time of 12 h and a bed porosity of 0.892. Assays were conducted to assess the influence of magnetic field intensity (5 to 15 mT) on reaction yield, ester concentration, and productivity. The highest productivity was 0.850 ± 0.023 mmol g-1 h-1, obtained with a magnetic field intensity of 15 mT. An operational stability test was performed under these conditions, revealing a biocatalyst half-life of 2148 h (179 operation cycles) and a thermal deactivation constant of 3.23 × 10-4 h-1 (R2 = 0.9446). Computational simulations and mathematical modeling were performed using Scilab based on ping-pong bi-bi kinetics and molar balances of reaction species. The model provided consistent results of interstitial velocity and good prediction of reaction yields, with R2 = 0.926. These findings demonstrate that the studied technique can provide improvements in biocatalytic processes, representing a promising strategy for the enzymatic synthesis of 2-ethylhexyl oleate.

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BACKGROUND: Poor assessment of anaesthetic depth (AD) has led to overdosing or underdosing of the anaesthetic agent, which requires continuous monitoring to avoid complications. The evaluation of the central nervous system activity and autonomic nervous system could provide additional information on the monitoring of AD during surgical procedures. METHODS: Observational analytical single-centre study, information on biological signals was collected during a surgical procedure under general anaesthesia for signal preprocessing, processing and postprocessing to feed a pattern classifier and determine AD status of patients. The development of the electroencephalography index was carried out through data processing and algorithm development using MATLAB V.8.1. RESULTS: A total of 25 men and 35 women were included, with a total time of procedure average of 109.62 min. The results show a high Pearson correlation between the Complexity Brainwave Index and the indices of the entropy module. A greater dispersion is observed in the state entropy and response entropy indices, a partial overlap can also be seen in the boxes associated with deep anaesthesia and general anaesthesia in these indices. A high Pearson correlation might be explained by the coinciding values corresponding to the awake and general anaesthesia states. A high Pearson correlation might be explained by the coinciding values corresponding to the awake and general anaesthesia states. CONCLUSION: Biological signal filtering and a machine learning algorithm may be used to classify AD during a surgical procedure. Further studies will be needed to confirm these results and improve the decision-making of anaesthesiologists in general anaesthesia.

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RESUMEN Los simuladores de realidad virtual háptico (RVH) están tomando cada vez más alcance en la educación clínica moderna. En este proceso se evidencia la importancia de la retroalimentación que el instructor brinda a los estudiantes, que puede darse de manera presencial o remota, esta última con ayuda de un sistema de audio y micro individualizado. No obstante, existe poca literatura que haya explorado y evidenciado las ventajas y desventajas de estas dos formas. Objetivo: Determinar el efecto que tiene la retroalimentación remota vs. presencial en el proceso de adquisición de destreza manual utilizando un simulador de RVH en estudiantes de primer año de la Facultad de Estomatología de la Universidad Peruana Cayetano Heredia. Material y Métodos: Se realizó un estudio en 37 participantes (X = 18,2 años; DS = 3,2 años), sin entrenamiento dental previo. Fueron asignados aleatoriamente en tres grupos (n1 = 17; n2 = 10; n3 = 10). El grupo 1 recibió solo retroalimentación presencial; el grupo 2 recibió solo retroalimentación remota; y el grupo 3 no recibió ningún tipo de retroalimentación. Los tres grupos debían completar el mismo ejercicio durante el mismo tiempo asignado. Resultados: Se encontraron diferencias significativas entre los grupos en el rendimiento general, incluyendo intentos fallidos y exitosos; sin embargo, no hubo diferencia entre el tiempo y el número de intentos realizados durante la práctica. Conclusiones: La adquisición de destreza manual utilizando ejercicios básicos dentales por estudiantes novatos es optimizada a través de una retroalimentación remota con el uso de un simulador de RVH.

ABSTRACT Haptic Virtual Reality (HVR) simulators are increasingly crucial in modern clinical education. Within this context, the significance of feedback provided by instructors to students is evident. This feedback can be delivered either face-to-face or remotely, the latter facilitated by an individualized audio and microphone system. However, there is limited literature exploring and illustrating the advantages and disadvantages of these two approaches. Objective: To determine the impact of remote vs. face-to-face feedback on the process of acquiring manual dexterity using an HVR simulator among first-year students at the School of Stomatology of Universidad Peruana Cayetano Heredia. Material and methods: A study was conducted involving 37 participants (mean age = 18.2 years; SD = 3.2 years) without prior dental training. They were randomly assigned to three groups (n1 = 17; n2 = 10; n3 = 10). Group 1 received only face-to-face feedback; Group 2 received exclusively remote feedback; and Group 3 received no feedback. All three groups were required to complete the same exercise within the same designated time frame. Results: Significant differences were observed among groups in overall performance, encompassing both unsuccessful and successful attempts. However, there was no distinction in terms of the time taken or the number of attempts made during practice. Conclusions: The acquisition of manual dexterity among novice dental students through basic exercises is optimized by utilizing remote feedback in conjunction with an HVR simulator.

RESUMO Os simuladores de realidade virtual háptica (RVH) estão ganhando crescente relevância na educação clínica moderna. Nesse contexto, torna-se cada vez mais evidente a importância do feedback fornecido pelos instrutores aos alunos, seja de forma pessoal ou remota. No segundo caso, a utilização de um sistema de áudio e microfone individualizado auxilia nesse processo. No entanto, é notável a escassez de literatura que tenha explorado e evidenciado as vantagens e desvantagens dessas duas abordagens. Objetivo: O presente estudo tem como objetivo determinar o impacto do feedback remoto em comparação com o feedback presencial no processo de aquisição de destreza manual utilizando um simulador de RVH. O estudo foi conduzido com alunos do primeiro ano da Faculdade de Estomatologia da Universidad Peruana Cayetano Heredia. Material e métodos: Participaram do estudo 37 alunos (média de idade = 18,2 anos; desvio padrão = 3,2 anos), sem experiência prévia em odontologia. Os participantes foram distribuídos aleatoriamente em três grupos: Grupo 1 (n1 = 17) recebeu somente feedback presencial; Grupo 2 (n2 = 10) recebeu exclusivamente feedback remoto; e o Grupo 3 (n3 = 10) não recebeu nenhum tipo de feedback. Todos os três grupos realizaram o mesmo exercício no mesmo período de tempo determinado. Resultados: Foram encontradas diferenças significativas entre os grupos no desempenho geral, incluindo tanto tentativas fracassadas quanto bem-sucedidas. No entanto, não foram observadas diferenças significativas em relação ao tempo e ao número de tentativas realizadas durante a prática. Conclusões: Os resultados deste estudo indicam que a aquisição de destreza manual por parte de alunos novatos, ao executarem exercícios odontológicos básicos, é otimizada por meio do uso de feedback remoto proporcionado por um simulador de RVH.

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ABSTRACT Purpose: This study aimed to use computational models for simulating the movement of respiratory droplets when assessing the efficacy of standard slit-lamp shield versus a new shield designed for increased clinician comfort as well as adequate protection. Methods: Simulations were performed using the commercial software Star-CCM+. Respiratory droplets were assumed to be 100% water in volume fraction with particle diameter distribution represented by a geometric mean of 74.4 (±1.5 standard deviation) μm over a 4-min duration. The total mass of respiratory droplets expelled from patients' mouths and droplet accumulation on the manikin were measured under the following three conditions: with no slit-lamp shield, using the standard slit-lamp shield, and using our new proposed shield. Results: The total accumulated water droplet mass (kilogram) and percentage of expelled mass accumulated on the shield under the three aforementioned conditions were as follows: 5.84e-10 kg (28% of the total weight of particle emitted that settled on the manikin), 9.14e-13 kg (0.045%), and 3.19e-13 (0.015%), respectively. The standard shield could shield off 99.83% of the particles that would otherwise be deposited on the manikin, which is comparable to 99.95% for the proposed design. Conclusion: Slit-lamp shields are effective infection control tools against respiratory droplets. The proposed shield showed comparable effectiveness compared with conventional slit-lamp shields, but with potentially enhanced ergonomics for ophthalmologists during slit-lamp examinations.

RESUMO Introdução: Os oftalmologistas têm alto risco de contrair a doença do Coronavírus-19 devido à proximidade com os pacientes durante os exames com lâmpada de fenda. Usamos um modelo de computação para avaliar a eficácia das proteções para lâmpadas de fenda e propusemos uma nova proteção ergonomicamente projetada. Métodos: As simulações foram realizadas no software comercial Star-CCM +. Os aerossóis de gotículas foram considerados 100% de água em fração de volume com distribuição de diâmetro de partícula representada por uma média geométrica de 74,4 ± 1,5 (desvio padrão) μm ao longo de uma duração de quatro minutos. A massa total de gotículas de água acumulada no manequim e a massa expelida pela boca do paciente foram medidas em três condições diferentes: 1) Sem protetor de lâmpada de fenda, 2) com protetor padrão, 3) Com o novo protetor proposto. Resultados: A massa total acumulada das gotas de água (kg) e a porcentagem da massa expelida acumulada no escudo para cada uma das respectivas condições foram; 1) 5,84e-10 kg (28% do peso total da partícula emitida que assentou no manequim), 2) 9,14e-13 kg (0,045%), 3,19e-13 (0,015%). O escudo padrão foi capaz de proteger 99,83% das partículas que, de outra forma, teriam se depositado no manequim, o que é semelhante a 99,95% para o projeto proposto. Conclusão: Protetores com lâmpada de fenda são ferramentas eficazes de controle de infecção contra gotículas respiratórias. O protetor proposto mostrou eficácia comparável em comparação com os protetores de lâmpada de fenda convencionais, mas potencialmente oferece uma melhor ergonomia para oftalmologistas durante o exame de lâmpada de fenda.

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Introdução: A malária continua sendo um grave problema de saúde pública mundial, dado os elevados índices anuais de morbimortalidade. O tratamento baseia-se no uso de medicamentos, entretanto, a resistência dos parasitos aos medicamentos disponíveis tem se tornado uma realidade alarmante, o que torna urgente o desenvolvimento de novos fármacos com atividade antimalárica. Em um estudo prévio, selecionou-se três alcaloides ß-carbolínicos que apresentaram atividade antimalárica. Dessa forma, o presente trabalho se propôs a dar continuidade ao estudo dessas moléculas avaliando o perfil de metabolismo e toxicidade hepática. Objetivo: Avaliar o perfil de metabolismo e toxicidade hepática de três alcaloides ß-carbolínicos (1, 2 e 3) selecionados em estudo prévio, que apresentaram atividade antimalárica in vitro e in vivo.Material e Métodos: Trata-se de um estudo de abordagem tanto qualitativa quanto quantitativa com caráter experimental e analítico. Foi realizada análise in silico das propriedades de metabolismo e toxicidade dos alcaloides empregando a notação SMILES por meio do programa AdmetSAR 2.0. A toxicidade hepática foi avaliada por meio da análise bioquímica da aspartato aminotrasferase (AST) e alanina aminotransferase (ALT) no soro de camundongos da linhagem C57BL/6, tratados com os alcaloides ou com cloroquina. Resultados: Na análise in silico foi observada a predição de baixo potencial hepatotóxico para os alcaloides 1 e 2, sendo este resultado corroborado pela dosagem de ALT, que apresentou resultados semelhantes ao do grupo controle. O alcaloide 3, no entanto, apresentou dados contrastantes, indicando potencial hepatotóxico na predição in silico, porém, baixo potencial em análise in vivo, com valores de ALT também próximos do grupo controle. Todos os alcaloides em estudo apresentaram potencial para interações medicamentosas. Conclusão: Os alcaloides avaliados nesse estudo apresentaram parâmetros metabólicos e de toxicidade promissores, podendo ser bons adjuvantes à farmacoterapia da malária. Entretanto, esses resultados precisam ser confirmados para seguimento das moléculas nos estudos pré-clínicos.

Introduction: Malaria continues to be a serious global public health problem, given the high annual morbidity and mortality rates. It is caused by protozoa of the genus Plasmodium, with P. falciparum responsible for most serious cases and deaths. Treatment is based on the use of drugs, however, the resistance of parasites to available drugs has become an alarming reality, which makes the development of new drugs with antimalarial activity urgent. In a previous study, our research group selected three ß-carboline alkaloids that showed antimalarial activity. Therefore, the present work proposed to continue the study of these molecules by evaluating the metabolism profile and liver toxicity. Objective: To evaluate the metabolism and liver toxicity profile of three ß-carboline alkaloids (1, 2 and 3) selected in a previous study, which showed antimalarial activity in vitro and in vivo. Material and Methods: This is a study with both a qualitative and quantitative approach with an experimental and analytical nature. In silico analysis of the metabolism and toxicity properties of alkaloids was carried out using the SMILES notation through the AdmetSAR 2.0 program. Liver toxicity was evaluated through biochemical analysis of aspartate aminotransferase (AST) and alanine aminotransferase (ALT) in the serum of mice of the C57BL/6 lineage, treated with the alkaloids or chloroquine. Results: In the in silico analysis, the prediction of low hepatotoxic potential for alkaloids 1 and 2 was observed, and this result was corroborated by the ALT dosage, which presented results similar to those of the control group. Alkaloid 3, however, presented contrasting data, indicating hepatotoxic potential in in silico prediction, however, low potential in in vivo analysis, with ALT values also close to the control group. All alkaloids under study showed potential for drug interactions. Conclusion: The alkaloids evaluated in this study showed promising metabolic and toxicity parameters and could be good adjuvants for malaria pharmacotherapy. However, these results need to be confirmed to follow the molecules in preclinical studies.

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OBJECTIVE: To qualitatively and quantitatively assess integrated segmentation of three convolutional neural network (CNN) models for the creation of a maxillary virtual patient (MVP) from cone-beam computed tomography (CBCT) images. MATERIALS AND METHODS: A dataset of 40 CBCT scans acquired with different scanning parameters was selected. Three previously validated individual CNN models were integrated to achieve a combined segmentation of maxillary complex, maxillary sinuses, and upper dentition. Two experts performed a qualitative assessment, scoring-integrated segmentations from 0 to 10 based on the number of required refinements. Furthermore, experts executed refinements, allowing performance comparison between integrated automated segmentation (AS) and refined segmentation (RS) models. Inter-observer consistency of the refinements and the time needed to create a full-resolution automatic segmentation were calculated. RESULTS: From the dataset, 85% scored 7-10, and 15% were within 3-6. The average time required for automated segmentation was 1.7 min. Performance metrics indicated an excellent overlap between automatic and refined segmentation with a dice similarity coefficient (DSC) of 99.3%. High inter-observer consistency of refinements was observed, with a 95% Hausdorff distance (HD) of 0.045 mm. CONCLUSION: The integrated CNN models proved to be fast, accurate, and consistent along with a strong interobserver consistency in creating the MVP. CLINICAL RELEVANCE: The automated segmentation of these structures simultaneously could act as a valuable tool in clinical orthodontics, implant rehabilitation, and any oral or maxillofacial surgical procedures, where visualization of MVP and its relationship with surrounding structures is a necessity for reaching an accurate diagnosis and patient-specific treatment planning.

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Population increase, climate change and soil impermeability are factors causing floods in large urban centres. Such places also always have water shortage problems. This research aims to evaluate the influence of rainwater harvesting in residential buildings on stormwater in a basin located in southern Brazil (Rio Cachoeira Basin). Urbanised and non-urbanised areas, soil types, curve numbers and time of concentration of each sub-basin were taken into account. Through the HEC-HMS programme, it was possible to calculate hydrographs for the base scenario (when there is no rainwater harvesting). Then, rainwater tanks for the residential buildings were sized using the computer programme Netuno. In the second scenario, there is rainwater harvesting in all residential buildings. Thus, the hydrographs for the second scenario were also calculated. The peak flow reduction potentials for the sub-basins ranged from 2.7% to 14.3%. The highest percentage (14.3%) did not occur in the sub-basin with the most extensive roof area; such highest peak flow reduction occurred in Bom Retiro sub-basin. In Bom Retiro sub-basin, there are more houses than multi-storey residential buildings. Even when considering the full potential of rainwater harvesting for roof areas of all existing buildings in the Rio Cachoeira Basin, the average potential reduction in peak flow was 7.2%. The conclusion is that rainwater tanks in residential buildings have little influence on stormwater runoff, and the stormwater runoff will be less affected when the area of the hydrographic basin is larger. Thus, the reduction in peak flows is insignificant when considering the flooding in the region.

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Resumen Objetivo: Caracterizar y optimizar el flujo de pacientes dentro de un centro de vacunación, para los casos donde debe tomarse en cuenta que existe una capacidad finita en las colas frente a las estaciones. Materiales y Métodos: Se asume que los sistemas de vacunación se comportan como una red cerrada de colas con capacidad finita; para caracterizar el flujo de pacientes, se aplica simulación y un diseño experimental Box-Bhenken, donde las variables son las capacidades en las colas (buffer); posteriormente se obtienen los metamodelos del tiempo de ciclo y del número de pacientes vacunados, finalmente se calcula la asignación óptima de los lugares en las colas aplicando programación matemática. Resultados: Las colas de llenado de formatos, entrega de información y vacunación son las de mayor efecto sobre el tiempo de estadía; las colas de vacunación y el Triage son las de mayor efecto sobre la cantidad de pacientes vacunados.Si se maximiza la salida de pacientes, la mayor cantidad de lugares deben asignarse a la estación de vacunación y el resto de los espacios se distribuyen en las demás estaciones; por otra parte, si se minimiza el tiempo de estadía, entonces la mayor parte de los lugares se asignan a la estación Triage y a continuación a la estación de Vacunación, el resto de los espacios se asignarán dependiendo de la capacidad total del sistema. Conclusiones: Los responsables de administrar esta clase de sistemas deben definir el criterio bajo el cual deben cuantificar el desempeño del sistema de vacunación y a partir de este, gestionar y controlar el proceso. Cuando la demanda supera las expectativas y no es viable incrementar la capacidad, entonces la alternativa es optimizar el flujo controlando la cantidad de personas dentro del sistema.

Abstract Objective: Characterize and optimize the flow of patients within a vaccination center, for cases where it must be consider that there is a finite capacity in the queues in front of the stations. Materials and Methods: Vaccination systems are assumed to behave as a closed queue network with finite capacity; To characterize the flow of patients, simulation and a Box-Bhenken experimental design are applied, where the variables are the capacities in the queues (buffer); Subsequently, the metamodels of the cycle time and the number of vaccinated patients are obtained. Finally, the optimal allocation of places in the queues is calculated by applying mathematical programming. Results: The queues for filling out forms, delivery of information and vaccination are the ones with the greatest effect on the length of stay; the vaccination and triage queues have the greatest effect on the number of vaccinated patients. If the output of patients is maximized, the greatest number of places should be assigned to the vaccination station and the rest of the spaces are distributed in the other stations; On the other hand, if the length of stay is minimized, then most of the places are assigned to the Triage station and then to the Vaccination station, the rest of the spaces will be assigned depending on the total capacity of the system. Conclusions: Those responsible for managing this class of systems must define the criteria under which they must quantify the performance of the vaccination system and, based on this, manage and control the process. When demand exceeds expectations and increasing capacity is not feasible, then the alternative is to optimize flow by controlling the number of people within the system.

RESUMO

ABSTRACT Introduction: We aimed to evaluate the role of remote proctoring during the initial training phases of a robotics curriculum using surgical robot skills simulator exercises. Materials and Methods: Prospective randomized study comprising 36 urology residents and junior staff urologists without previous robotic training. Group 1 (G1) performed exercises without any assistance or support, group 2 (G2) received support from in-person proctor, and group 3 (G3) from a remote proctor through a telementoring system. Qualitative and quantitative analyses were conducted for each exercise and group. Results: The overall score approval rates (OSA) for the different skill exercises were Ring Walk 2 (RW2) 83%, Energy Dissection 2 (ED2) 81%, and Ring Walk 3 (RW3) 14%. RW2 OSA was higher on attempt 3 than on attempt 1 (83.3% vs. 63.9%, p=0.032). ED2 OSA rate was higher in attempt 3 than in attempt 1 (80.6% vs. 52.8%, p=0.002). RW2 OSA was similar among the groups. In ED2, both remote and live assistance were significantly related to upper OSA (G1=47.2%, G2=75.0%, G3=83.3%, p=0.002). RW3 had similar OSA among the groups, which can be explained by the high level of difficulty and low OSA in all the groups. However, in a sensitive quantitative analysis, the mean overall score of the participants in RW3 was higher in both proctored groups (G1=24, G2=57.5, G3=51.5, p=0.042). Conclusion: Robotic performance increased significantly over three attempts for simulation exercises of low, medium, but not high-complexity. Proctoring, either in-person or remotely, has a positive impact on approval performance, particularly in intermediate tasks.

RESUMO

Resumo Fundamento A consolidação de novos paradigmas educacionais exige a implantação de estratégias inovadoras com potencial de transformar estudantes em profissionais competentes. Objetivos Analisar o conhecimento e a satisfação de estudantes antes e após a utilização de uma nova metodologia ativa de ensino médico de modelo digital humanizado chamada Virtual Case-Based Learning (VCBL). Métodos Estudo descritivo com análise documental sobre o processo de ensino-aprendizagem de estudantes de medicina. Dados obtidos da avaliação de conhecimento teórico e do instrumento de satisfação dos alunos nos anos de 2018 e 2019 foram analisados, e a nova metodologia proposta VCBL foi comparada com a metodologia ativa de ensino tradicional, o Problem-Based Learning (PBL). As análises descritivas e de associação foram realizadas utilizando o programa Statistical Package for the Social Sciences. Resultados Foram analisados 167 documentos aplicados a estudantes de medicina. Em relação à avaliação do conhecimento teórico, os alunos avaliados em 2018 obtiveram média 41,7%, comparados aos alunos de 2019 que alcançaram 73,3% (p<0,001). Entre os estudantes submetidos à avaliação da satisfação com a metodologia de aprendizagem proposta, 76,0% pontuaram o valor máximo para a questão um, e 83,0% para a questão número dois. Cerca de 70,0% dos estudantes classificaram positivamente o aprendizado adquirido após utilização da plataforma Paciente 360; 78,0% responderam que se sentem preparados para o atendimento ambulatorial; e 94,0% pontuaram de forma positiva a metodologia empregada. Conclusão Neste estudo inicial, os resultados indicaram que a nova ferramenta em metodologia ativa de ensino médico digital humanizado, o VCBL, pode auxiliar no aprimoramento do processo de ensino-aprendizagem, proporcionando conhecimento e satisfação dos estudantes.

Abstract Background The consolidation of new educational paradigms requires the implementation of innovative strategies to transform students into competent professionals. Objectives To assess knowledge and satisfaction of medical students before and after the use of a new humanized digital model of active learning, called virtual case-based learning (VCBL). Methods This was a descriptive, documentary analysis of the teaching-learning process of medical students. Data obtained from theoretical knowledge assessment and satisfaction evaluation questionnaires applied in 2018 and 2019 were analyzed, and the new VCBL was compared with the traditional active methodology PBL (problem-based learning). Descriptive and association analyses were made using the Statistical Package for the Social Sciences. Results A total of 167 evaluation forms administered to medical students were analyzed. In the evaluation of theoretical knowledge, the 2018 and the 2019 student groups had a mean of 41.7% and 73.3%, respectively (p<0.001). Among the students who responded to the satisfaction evaluation form, 76.0% gave the highest rating to question one, and 83.0% to question two. Nearly 70.0% of students positively evaluated knowledge acquisition with the Paciente 360 platform; 78.0% reported to feel prepared for working in outpatient care; and 94.0% positively evaluated the new method. Conclusion In this initial study, the results indicate that the new active method for humanized digital medical education, the VCBL, can help in the betterment of the teaching-learning process, promoting knowledge and satisfaction by the students.