Abstract Topological indices are a vital class of structural descriptors that are extensively adopted in the innovation of structure-property models, virtual synthesis, drug design, and the assessment of similarity and diversity. Hex-derived networks have numerous applications in the pharmaceutical industry, as well as in hardware and system administration. In this paper, we first lay out the graph of subdivided poly Hex-derived networks of third type of dimension n (SPHDN3[n]) and the estimate the values of the degree-based topological indices using their precise formulas, which are related to their structure size. Additionally, with the help of the M-polynomials of SPHDN3[n] networks, we also compute and analyse their topological indices. Furthermore, we carry out a comparative graphical analysis between each of the calculated degree-based topological indices of the poly Hex-derived network of third type (PHDN3[n]) and SPHDN3[n] networks for better understanding and prediction of their physicochemical properties.

Purpose Considering the significant increase in researchers’ interest in human resource management (HRM) in the public sector domain, this study aims to focus on producing a scale of HRM practices customized for the context of public organizations. Design/methodology/approach Experts and semantic analysis were performed for the scale development (qualitative stage), and exploratory and confirmatory factor analysis through structural equation modeling was conducted for the scale validation (quantitative stage). Findings The public HRM practices scale (public HRMPS) is composed of 19 items, distributed along four factors/dimensions, named training, development and education; relationship; work conditions; and competency and performance appraisal. The scale showed evidence of internal and construct validity (convergent, divergent, criterion-related and discriminant), as well as reliability and content validity. Research limitations/implications The public HRMPS can be applied in relational studies to test structural models of prediction, mediation and moderation to evaluate relationships with organizational behavior variables, such as leader-members exchange, engagement at work, life quality at work and well-being at work, among others. Practical implications The public HRMPS may also serve as a useful diagnostic tool for the decision-making process made by public managers so they can promote a strategic, evidence-based HRM. Furthermore, the transforming role of strategic HRM can be operationalized by adopting practices gathered in the public HRMPS, advancing toward new HRM strategies to promote healthier and more productive work environments. Social implications Healthier and more productive environments translate into real impacts for society, the first beneficiary of public services with more quality, efficiency and accountability. Originality/value The public HRMPS is the first attempt to produce an operationally valid and reliable measure to evaluate strategic HRM practices, responding to calls in the literature concerning the need for an integrated, comprehensive and customized HRM practices scale for the public service context. researchers (HRM domain organizations Designmethodologyapproach Design methodology approach qualitative stage, stage , stage) quantitative stage. . 1 items factorsdimensions factors dimensions factors/dimensions training education relationship conditions appraisal convergent, convergent (convergent divergent criterionrelated criterion related discriminant, discriminant discriminant) limitationsimplications limitations prediction variables leadermembers leader members exchange wellbeing being others decisionmaking decision making evidencebased based Furthermore society accountability Originalityvalue Originality value integrated

Infront of with the difficulties faced in making a new drug available to the population, it is essential to seek ways to simplify the process. In silico methodologies are alternatives to benchtop experiments, being frequently used due to their speed and low cost. The present study aimed to formulate a theoretical-practical activity in the Pharmaceutical Chemistry course, where students applied their knowledge of structural modeling and molecular docking to propose bioactive compounds against molecular targets of the SARS CoV-2 virus. The class was divided, and each group presented a drug candidate, the precursors being natural molecules. In total, seven derivatives were designed and tested against different macromolecules, and then an in silico prediction of their physicochemical characteristics was performed. The docking results were positive for all derivatives, in terms of binding energy, mainly GEND with -9.0 kcal mol-1. In addition, the prototypes exhibited good interactions with the amino acids of the respective targets, mainly KAED, QUED and GEND, in addition to presenting adequate physicochemical properties for meeting the Lipinski restrictions. Therefore, this study presented at least three potential inhibitors of SARS-CoV-2, showing the importance of using computational tools in drug design and development, as well as in teaching practice. population process experiments cost theoreticalpractical theoretical practical course CoV2 CoV 2 CoV- virus divided candidate molecules total macromolecules performed energy 9.0 90 9 0 -9. mol1. mol1 mol 1. 1 mol-1 KAED restrictions Therefore SARSCoV2, SARSCoV2 SARSCoV 2, SARS-CoV-2 development practice 9. -9 mol- SARS-CoV- - SARS-CoV

Abstract Peak ground acceleration (PGA) is frequently used to describe ground motions accurately to defined the zone is critical for structural engineering design. This study developed a novel models for predicting the PGA using Artificial Neural Networks-Gravitational Search Algorithm (ANN-GSA) and Response Surface Methodology (RSM). This paper grants the prediction of PGA for the seismotectonic of Iraq, which is considered the earlier attempt in Iraqi region. The magnitude of the earthquake, the average shear-wave velocity, the focal depth, the distance between the station, and the earthquake source were used in this study. The proposed models are constructed using a database of 187 previous ground motion records, this dataset is also utilized to evaluate the effect of PGA’s parameters. In general, the results demonstrate that the newly proposed models exhibit a high degree of correlation, perfect mean values, a low coefficient of variance, fewer errors, and an acceptable performance index value compared to actual PGA values. However, the composite ANN-GSA model performs better than the RSM model.

Abstract The balanced cast-in-place cantilever erection method has become a popular construction bridge technique. The main advantages include an industrialized erection technique that prevents the use of intermediate supports and rapid construction. However, the long-term response of this bridge typology is not well understood as long-term deflections due to time-dependent phenomena (such as creep and shrinkage) are significantly simplified in bridge design codes. Existing prediction models commonly used in design tend to underestimate long-term deflections, and as a result, field measurements conducted in newly constructed bridges still report excessive long-term deflections. This paper shows the long-term deflection analysis of a long-span concrete bridge located in Colombia and opened to traffic in 2014. This study is conducted using field data collected within a one-year time interval and modelling results. Further comparisons using field data collected from bridges with similar structural configurations, but opened to traffic in the 90s and 2000s, show that the bridge's current situation is categorized as a major concern.

ABSTRACT Tools that generate models with good biomass predictive capacity are essential to maintain the sustainability of production systems. The objective was to analyze the relationship between forage biomass and structural variables and generate models to predict total forage biomass (TFB) and green leaf blade biomass (GLB). Irrigated pastures of Brachiaria decumbens Stapf ‘Basilisk’ were kept under rotational stocking with sheep (Ovis aries L.) The TFB, GLB, leaf area index (LAI), height (cm), and normalized difference vegetation index (NDVI) were evaluated. The experimental design was completely randomized with four replicates: ten and five cycles of defoliation management, respectively, were used to generate and validate the stages of the models. The best goodness of fit was obtained by nonlinear models for both TFB and GLB, which can be confirmed by high Spearman’s correlations and significance (P < 0.0001). The path analysis showed low collinearity (42.60) between NDVI, LAI, and height; the high determination coefficient (R²) with values of 0.8421 and 0.7767 demonstrated their associations with TFB and GLB, respectively. Among the studied models to predict TFB and GLB, only exponentials using NDVI and power using LAI and height showed the best fit. In the validation stage, the models related to height exhibited the highest performance with 0.9531 (TFB) and 0.9638 (GLB) d-index, -2.3 (TFB) and -7.20 (GLB) bias, and 0.8532 (TFB) and 0.8932 (GLB) R². Only nonlinear models using height (cm) to predict TFB and GLB had the best practical application potential, thus ensuring efficiency in data collection.

Abstract The research objective was to establish relationships of association, interdependence and structural prediction between the variables of test anxiety, self-regulation and stress coping strategies. The theoretical framework of reference was the Competence for Studying, Learning and Performing under Stress (CSLPS) model. Participating were 142 students who were preparing for professional examinations to attain a post as public school teacher (primary education), enrolled at academies in Almería (Spain) for this purpose. Previously validated questionnaires were administered for data collection. The study design was linear ex post-facto, with bivariate, inferential analyses of association (ANOVAs and MANOVAs) and of structural prediction. Results showed a negative relationship between test anxiety self-regulation, especially in students with high emotionality, and a negative impact on decision making. Positive relationships were found between test anxiety and strategies for coping with stress. Finally, a positive predictive relationship was verified between self-regulation and coping strategies, while associative and inferential analyses highlighted the role of goals as determining factors in strategies used for coping with stress, especially strategies that focus on problem solving. Results are discussed and implications for improving these processes in professional examination candidates are established.

Resumen El objetivo de la investigación fue establecer relaciones de asociación, interdependencia y predicción estructural entre las variables ansiedad evaluativa, autorregulación y estrategias de afrontamiento del estrés. El marco teórico de referencia fue el modelo de Competencia para Aprender, Estudiar y Rendir bajo Estrés (CAERE). Participaron 142 estudiantes, que se estaban preparando oposiciones en academias de Almería (España) para obtener plaza como maestros en centros públicos. Para la recogida de datos se administraron cuestionarios escritos previamente validados. El diseño fue ex post-facto lineal, con análisis de asociación bivariada, inferenciales (ANOVAs y MANOVAs) y de predicción estructural. Los resultados mostraron una relación negativa entre la ansiedad evaluativa y la autorregulación, especialmente en los estudiantes con alta emocionalidad, con un impacto negativo para la toma de decisiones. También se encontraron relaciones positivas entre la ansiedad evaluativa y las estrategias de afrontamiento del estrés. Por último, se constató la relación de predicción positiva entre la autorregulación y las estrategias de afrontamiento, a la vez que los análisis asociativos e inferenciales destacaron el papel de las metas como determinantes de las estrategias usadas para afrontar el estrés, especialmente, las referidas a la focalización en la resolución de problemas. Se discuten los resultados y se establecen implicaciones para las mejoras de estos procesos en los estudiantes opositores.

Abstract A proposal of a semi-rigid self-centering connection for the seismic protection of wooden structures is studied. An analytical model for the characterization of the response of the connection is developed. Quasi-static tests of a wooden column with the proposed connection allowed to validate the model and calibrate its parameters, obtaining errors smaller than 6% between analytical prediction and experimental results. The self-centering capacity and the effectiveness of the connection to limit the loads transmitted to the connected elements were evidenced. Damped free vibration tests evidenced the capacity of the connection to reduce structural vibrations. It was verified that the resistance and dissipation capacity of the connection can be modified by two design parameters that can be adjusted at the assembly. The proposed connection has desirable characteristics for its use in the protection of structural wooden frames, is versatile, and its design is simple, with explicit physical parameters.

ABSTRACT In countries like Costa Rica, there is an interest in developing wooden trusses in a versatile and light way. However, there is a key aspect in the behavior of truss connections in this product. Therefore, the present study determines the structural behavior of the truss connections and the displacement, the resistance, the stiffness values and the failure mode of truss connections made with Gmelina arborea and Tectona grandis timber for angles of 0° and 90°; and three types of truss connectors (metal plates, screws and nails), subject to tension and compression loads. The results showed that metal plates show the highest load values with respect to the nails and screws in both species. Likewise, in the design and critical displacement stress, metal plates surpass the nails and screws in both species; and in the two angles. From these stress values, we proposed a model for the prediction of the stiffness for the truss connections of the intermediate angles (30°, 45° and 60°) and the test showed that the prediction was low, the bias was 3%.

Abstract Severe permanent deformations of buildings during earthquakes have been found as one of the major causes of the instability and failure of structures. The application of superelastic Shape Memory Alloy rebars at the plastic hinge region of reinforced concrete beam-column joints (SESMA-BCJs) can eliminate the seismic residual deformations. Such self-centering structures can maintain their reusability even after severe earthquakes. This research proposes a simple - yet practical - technique for more accurate modeling of SESMA-BCJs using VecTor2 software. Both material and geometric nonlinearity were considered. Efficiency and versatility of the modeling approach were verified against a number of test results at both material and structural levels. According to the results, the adopted modeling approach can be reliably used for the prediction of the cyclic response of hybrid SESMA-BCJs under changing various design parameters which are beyond the scope of the experimental tests. Furthermore, using the calibrated model, a comprehensive seismic parametric study was conducted to investigate the influence of various design parameters on the seismic performance of SESMA-BCJs. Finally, a new Fe-based SESMA-BCJ with a lower amount of SESMA and higher seismic performance than NiTi-based BCJs was introduced and numerically investigated.

Prosocial behavior refers to altruistic behavior in favor of other people. Prosocial behavior also results in a personal benefit for those who perform it, because it has a positive social effect and plays a transcendental role in the development of young people and their psychosocial adjustment. The present study analyses some social behaviors of adolescents living in poverty, with the aims of determining the predictors of their prosocial behavior and possible differences in prosocial behavior by gender and by type of place of residence. Two hypotheses were tested: that there are gender differences in the prosocial behavior of adolescents and that the social behavior of adolescents predicts their tendency towards prosocial behavior. No hypothesis was established for the type of locality. In this survey participated 1093 adolescents, 55.8%men, 61% from urban localities, average age of 14.92 (SD = 1.29) years, and average schooling 8.33 (SD = 1.71) years. Access to the national registry of the government's poverty reduction program was attained, from which a probabilistic selection of registered households was obtained, with national representativeness for the rural and urban domains. Households with adolescent children were selected from the national sample of households, to visit them in a second survey to interview the children of the heads of these households. Analyses were conducted to determine differences in prosocial behavior by gender and urbanization. Results showed that male and female scores differed significantly, in favor of females. However, the prosocial behavior scores of rural and urban youths did not differ significantly. To identify potential predictors of prosocial behavior, a structural equation modeling was performed. The model included a latent variable called Socialization, which was made up of scales that measure social competence, positive relationships with peers, social support and support from friends. Permissive parental style, oppositional behavior, loneliness, religiosity, and the number of children under 12 in the household were also tested. The resulting model showed that Socialization was the main predictor of the prosocial behavior of adolescents. Permissive parental style and loneliness were also positive predictors of prosocial behavior; while oppositional behavior and the number of children under the age of 12 in the household predicted it negatively. The tested model reached an adequate fit and explained 61% of the total variance of prosocial behavior. The present data supported the hypotheses of the study since we observed gender differences in the prosocial behavior of adolescents; and the structural equations modeling confirmed the relative importance of indicators of social behavior, grouped into Socialization, in the prediction of prosocial behavior. However, prosocial behavior did not differ by type of residence. The findings confirmed the close relationship between interpersonal relationships, social support, and prosocial behavior; since those who were socially more efficient and successful, and received more support tended to reciprocate with greater altruism towards their peers. Additionally, less oppositional behavior was associated with greater altruism. The positive relationship between loneliness and prosocial behavior indicated that the tendency towards social isolation promotes altruistic behavior. Results also suggested that less disciplinary parental control promotes behavior in favor of others; but not the coexistence with young children. No direct relationship between religiosity and prosocial behavior was found. Among the strengths of this study should be mentioned that the results obtained came from a national probabilistic sample of households and the large size of the sample; as well as some caveats like the cross-sectional design of the survey and the use of self-reports. However, we consider that it is possible to use the present results in the planning of intervention strategies with adolescents, with the purpose of stimulating prosocial behavior in future generations.

La conducta prosocial comprende comportamientos altruistas en favor de otras personas y conlleva un beneficio social mayor como la cooperación y el apoyo y cuidado de los demás. El comportamiento prosocial resulta también en un beneficio personal al tener éste un efecto social positivo para quien lo realiza, asociado a resultados significativos para el ajuste psicosocial de los jóvenes. El objetivo de este estudio fue identificar predictores de la conducta prosocial en adolescentes mexicanos que viven en condiciones de pobreza. Se analizaron los datos de 1093 adolescentes, provenientes de una muestra nacional probabilística de hogares de localidades rurales y urbanas que están inscritos en un programa gubernamental de combate a la pobreza (55.8% hombres, 61% urbanos, edad promedio 14.92 años y escolaridad promedio 8.33 años cursados). No se encontraron diferencias en conducta prosocial por tipo de localidad; pero sí por género en favor de las mujeres, aunque el tamaño del efecto fue pequeño. El modelamiento de ecuaciones estructurales mostró que niveles más elevados de conducta prosocial dependen de mayor competencia social, relaciones positivas con los pares, apoyo social general y de amigos, estilo parental permisivo y soledad; así como de menor oposicionismo y menor cantidad de menores de 12 años en el hogar. El modelo explicó el 60% de la varianza de la conducta prosocial en los adolescentes. Los mejores predictores de la conducta prosocial fueron el comportamiento social y el apoyo percibido: Quienes son socialmente más eficientes, exitosos y más apoyados, tienden a retribuir con mayor altruismo hacia sus pares.

Computational tools are recognized to provide high-quality predictions for the assessment of chemical toxicity. In the recent years, mobile devices have become ubiquitous, allowing for the development of innovative and useful models implemented as chemical software applications. Here, we will briefly discuss this recent uptick in the development of web-based and mobile applications for chemical problems, focusing on best practices, development, usage and interpretation. As an example, we also describe two innovative apps (Pred-hERG and Pred-Skin) for chemical toxicity prediction developed in our laboratory. These applications are based on predictive quantitative structure-activity relationships (QSAR) models developed using the largest publicly available datasets of structurally diverse compounds. The developed tools ensure both highly accurate predictions and easy interpretation of the models, allowing users to discriminate potential toxicants and to purpose structural modifications to design safer chemicals.

Resumo A predição da geração de resíduos de construção e demolição (RCD), na fase de projeto, é etapa essencial do gerenciamento de resíduos do canteiro de obras. Esses índices podem contribuir para a redução de perdas e, consequentemente, redução de custos operacionais. Devido às dificuldades em executar uma correta estimativa dos RCD a serem gerados, o presente trabalho propôs um modelo de regressão linear múltipla para estimativa da geração de resíduos de obra em empreendimentos residenciais verticais com alvenaria estrutural. Obteve-se como resultado, para o modelo de regressão desenvolvido, um coeficiente de determinação (R2) de 0,802 e coeficiente de determinação ajustado (R2 ajustado) de 0,741 (intervalo de confiança de 95%). A comparação entre os dados reais de geração de RCD e a estimativa gerada pelo modelo de predição desenvolvido por esta pesquisa mostrou erros na faixa de 10,62% a 54,94%. Assim, o modelo de regressão mostrou-se aplicável para os tipos construtivos viga-pilar e alvenaria estrutural. Pode ser utilizado por engenheiros e arquitetos, como uma ferramenta para estimativa de RCD no Plano de Gerenciamento de Resíduos de Construção e Demolição (PGRCD) da obra.

Abstract The prediction of the construction and demolition waste (CDW) done during the design phase is essential to ensure proper waste management on construction sites. Similarly, these indices can contribute to reducing building losses and operating costs. Because of the difficulties to quantify CDW, this article proposes a multiple linear regression model to estimate the CDW generation in vertical residential buildings with structural masonry. Considering a confidence interval of 95%, the coefficient model (R2) was calculated at 0.802 and the adjusted coefficient model (adjusted R2) obtained was 0.741. The comparison between CWD generation measured on the building site and the estimate produced by the prediction model developed in this study showed errors ranging from 10.62% to 54.94%. Hence, the regression model proved to be applicable to both construction systems: beam-column and structural masonry systems. Engineers and Architects can use it as a tool to estimate CDW in the Waste Management Plan of construction projects.

Resumo Toda estrutura está sujeita aos efeitos do tempo e ambiente na qual estão inseridas. A consideração desses efeitos e suas consequências na fase de projeto é o que se chama atualmente de análise da durabilidade do sistema estrutural. A corrosão do aço das armaduras através da penetração de cloretos no concreto é a principal causa de deterioração ao longo do tempo em estruturas de concreto armado. Como consequência direta, a corrosão afeta a capacidade resistente dos elementos estruturais à medida que o processo evolui no tempo. Portanto, a previsão adequada da vida útil estrutural depende diretamente da capacidade de previsão desses efeitos sobre o comportamento dos sistemas estruturais. Neste trabalho, um modelo mecânico que combina os efeitos da corrosão de armaduras e as respostas não linear dos materiais aço e concreto é proposto com o objetivo de prever a perda de resistência de vigas em concreto armado ao longo do tempo. O comportamento dos materiais aço e concreto foram simulados por modelos baseados na teoria da plasticidade unidimensional e mecânica do dano, respectivamente. As leis de Fick e métodos empíricos fundamentados nas leis de Faraday foram utilizados para representar a entrada de cloretos e degradação das armaduras, respectivamente. Um processo simplificado foi adotado para a simulação do início da corrosão em tempos diferentes ao longo da estrutura. Os resultados mostraram que a taxa de perda de capacidade resistente da viga analisada é maior nos primeiros anos após o início da corrosão e tendem a se estabilizar nos anos posteriores. Além disso, o comportamento estrutural é muito sensível em relação aos efeitos corrosivos considerados nas análises.

Abstract Every structure is subjected to the effects of time and environment on which they are located. The consideration of these effects and their consequences in design phase is called nowadays as durability analysis of the structural system. The corrosion of the reinforcement steel through the chloride penetration inside the concrete is the main cause of the lifetime deterioration of the reinforced concrete structures. As a direct consequence, the corrosion affects the resistant capacity of the structural elements as the process evolves over time. Therefore, the appropriate prediction of the structural lifetime depends directly of the prevision capacity of those effects over the behavior of the structural systems. In this work, a mechanical model that combines the corrosion effects over the reinforcement and the concrete and steel material nonlinear responses is proposed to predict the resistant loss of reinforced concrete beams over the time. The steel and concrete nonlinear behavior was modeled by model based on unidimensional plasticity theory and damage mechanics, respectively. The Fick’s laws and empirical methods based on the Faraday’s laws were used to represent chloride penetration inside concrete and reinforced degradation, respectively. A simplified process was adopted to simulate the corrosion beginning in different times over the structure. The results showed that the rate of loss resistant capacity of the analyzed beam is higher in the first years after the beginning of corrosion and tend to stabilized in subsequent years. Furthermore, the structural behavior is very sensitive regarding the considered corrosive effects in the analyses.

For many decades, studies have addressed the development of plastic strains in flexible pavements. Currently, there are models available that allow predicting this type of failure, and it is a common practice to include them in the structural design of pavements. However, variables required for this prediction are complex and difficult to obtain on site; therefore, they are not easy to apply in the diagnostic process. The measurement of deflections is a structural evaluation method for flexible pavements, whose value may include the competence of the pavement as a whole. This research seeks to correlate deflection data on the pavement’s surface with probable plastic strains over time, and to use this prediction to calculate the pavement’s remaining service life, with the criterion of maximum rutting allowed. Real-scale data from 4 different lanes were tested by the National Laboratory of Materials and Structural Models of the University of Costa Rica. The proposed model was able to predict future rutting using as input the thickness of the pavement structure, the surface deflection measured at loads of 40 kN, and the equivalent axle repetition; a high goodness of fit was achieved. The rut level estimate should help maintenance and rehabilitation policies of the road management system to be assessed and applied at the right time.

El desarrollo de deformaciones plásticas en pavimentos flexibles ha sido un tópico de investigación desde hace varias décadas. Actualmente se cuenta con modelos que permiten predecir este tipo de falla, siendo una práctica común considerarlos en el diseño estructural de pavimentos. Sin embargo, las variables requeridas para dicha predicción son complejas o difíciles de obtener en campo, lo que hace que su aplicación en el proceso de auscultación no sea sencilla. La medición de deflexiones es una técnica de evaluación estructural de pavimentos flexibles cuyo valor puede considerar la competencia del conjunto pavimento. Esta investigación busca correlacionar los datos de deflexiones en la superficie del pavimento con las deformaciones plásticas probables en el tiempo y usar esta predicción para estimar la vida remanente del pavimento usando como criterio el ahuellamiento máximo permisible. Se utilizaron datos adquiridos en 4 pistas distintas ensayadas a escala real por el Laboratorio Nacional de Materiales y Modelos Estructurales de la Universidad de Costa Rica. El modelo propuesto logra predecir el ahuellamiento futuro usando como insumo el espesor de la estructura de pavimento, la deflexión superficial medida a 40kN de carga, y la repetición de ejes equivalentes, logrando una bondad de ajuste alta. Con la estimación del nivel de ahuellamiento se espera que las políticas de mantenimiento y rehabilitación propias de un sistema de administración de pavimentos sean calibradas y aplicadas a su debido tiempo.