Propriedades Psicométricas da Escala de Planeamento Contextualizada em Educação Física

The teacher's planning should respond to the environment in which the teaching-learning process takes place. In this sense, the objective of this study was to adapt and validate the Physical Education Planning Influence Questionnaire to the Mexican context. A total of 748 physical education teachers from Mexico (64.2% men), with a mean age of 38 years, participated in the study and were divided into two subsamples. With the first one, an exploratory factor analysis was performed, which presented a KMO value of .869 and a Barlett's sphericity of: x2 = 9433.705; df = 703; p < .001, and where the items were grouped into 10 factors (two of them, added for this study). With the second subsample, confirmatory factor analyses were performed on the 10-factor model (x2/df = 4.49; NNFI = .98; CFI = .98; RMSEA = .042) and on a second-order model (x2/df = 2.86; NNFI = .90; CFI = .93; RMSEA = .05). Both models presented adequate goodness-of-fit indices. After performing the test-retest analysis on an independent sample of 68 teachers from the same geographical area, it was concluded that the Contextualized Planning Scale in Physical Education is a valid, reliable and standardized instrument that allows measuring the degree of influence exerted by various factors on the teacher's planning in the Mexican context.La planificación del profesor debe responder al entorno en que se desarrolle el proceso de enseñanza-aprendizaje. En ese sentido, el objetivo de este estudio fue adaptar y validar al contexto mexicano el Cuestionario de Influencia en la Planificación en la Educación Física (CIPEF). Participaron 748 docentes de educación física de México (64.2% hombres), con una edad media de 38 años, quienes fueron divididos en dos submuestras. Con la primera de ellas, se realizó un análisis factorial exploratorio, que presentó un valor KMO de .869 y una esfericidad de Barlett de: x2 = 9433.705; gl = 703; p < .001, y donde los ítems se agruparon en 10 factores (dos de ellos, añadidos para este estudio). Con la segunda submuestra, se realizaron análisis factoriales confirmatorios al modelo de 10 factores (x2/gl = 4.49; NNFI = .98; CFI = .98; RMSEA = .042) y a un modelo de segundo orden (x2/gl = 2.86; NNFI = .90; CFI = .93; RMSEA = .05). Ambos modelos presentaron índices de bondad de ajuste adecuados. Tras realizar el análisis de test-retest en una muestra independiente de 68 profesores de la misma área geográfica, se concluyó que la Escala de Planificación Contextualizada en la Educación Física es un instrumento válido, fiable y estandarizado que permite medir el grado de influencia que ejercen diversos factores sobre la planificación del profesor en el contexto mexicano.O planeamento do professor deve responder ao ambiente em que o processo de ensino-aprendizagem tem lugar. Neste sentido, o objectivo deste estudo era adaptar e validar o CIPEF (Cuestionario de Influencia en la Planificación en la Educación Física) ao contexto mexicano. Um total de 748 professores de educação física do México (64,2% do sexo masculino), com uma idade média de 38 anos, participaram no estudo e foram divididos em duas subamostras. Com o primeiro, foi realizada uma análise de factores exploratórios, que apresentou um valor KMO de .869 e uma esfericidade de Barlett de: x2 = 9433.705; gl = 703; p < .001, e onde os itens foram agrupados em 10 factores (dois deles, adicionados para este estudo). Com a segunda subamostra, foram realizadas análises de factores de confirmação no modelo de 10 factores (x2/gl = 4,49; NNFI = .98; CFI = .98; RMSEA = .042) e num modelo de segunda ordem (x2/gl = 2,86; NNFI = .90; CFI = .93; RMSEA = .05). Ambos os modelos apresentavam índices adequados de goodness-of-fit. Após a realização da análise de teste-reteste numa amostra independente de 68 professores da mesma área geográfica, concluiu-se que a Escala de Planeamento Contextualizada em Educação Física é um instrumento válido, fiável e padronizado que permite medir o grau de influência exercida por vários factores sobre o planeamento do professor no contexto mexicano

Density Functional Theory (DFT) Study of Triphenylamine-Based Dyes for Their Use as Sensitizers in Molecular Photovoltaics

In this work we studied three dyes which are proposed for potential photovoltaic applications and named Dye7, Dye7-2t and Dye7-3t. The Density Functional Theory (DFT) was utilized, using the M05-2X hybrid meta-GGA functional and the 6–31+G(d,p) basis set. This level of calculation was used to find the optimized molecular structure and to predict the main molecular vibrations, the absorption and emission spectra, the molecular orbitals energies, dipole moment, isotropic polarizability and the chemical reactivity parameters that arise from Conceptual DFT. Also, the pKa values were calculated with the semi-empirical PM6 method

Theoretical Study of the Effect of Different π Bridges Including an Azomethine Group in Triphenylamine-Based Dye for Dye-Sensitized Solar Cells

Ten molecules were theoretically calculated and studied through density functional theory with the M06 density functional and the 6-31G(d) basis set. The molecular systems have potential applications as sensitizers for dye-sensitized solar cells. Three molecules were taken from the literature, and seven are proposals inspired in the above, including the azomethine group in the π-bridge expecting a better charge transfer. These molecular structures are composed of triphenylamine (donor part); different combinations of azomethine, thiophene, and benzene derivatives (π-bridge); and cyanoacrylic acid (acceptor part). This study focused on the effect that the azomethine group caused on the π-bridge. Ground-state geometry optimization, the highest occupied molecular orbital, the lowest unoccupied molecular orbital, and their energy levels were obtained and analyzed. Absorption wavelengths, oscillator strengths, and electron transitions were obtained via time-dependent density functional theory using the M06-2X density functional and the 6-31G(d) basis set. The free energy of electron injection (ΔGinj) was calculated and analyzed. As an important part of this study, chemical reactivity parameters are discussed, such as chemical hardness, electrodonating power, electroaccepting power, and electrophilicity index. In conclusion, the inclusion of azomethine in the π-bridge improved the charge transfer and the electronic properties of triphenylamine-based dyes

Estudio DFT a moléculas derivadas de benzimidazol y piridina con capacidad inhibidora de corrosión

Inhibitors based on nitrogen heteroatoms have been shown to be one of the effective chemicals in inhibiting metal corrosion. This study was carried out with the density functional theory (DFT), using different levels of calculation. Several proposals were evaluated to estimate the energy levels of the frontier molecular orbitals (HOMO-LUMO) and their isodensity. These parameters were considered to determine the nucleophilic and electrophilic part of the molecules. Finally, an analysis of the chemical reactivity parameters was carried out with electronic affinity, ionization potential, chemical hardness and electrophilicity index; the objective was to determine the effect about chemical hardness by changing the position of the substituents.Los inhibidores basados en heteroátomos de nitrógeno han mostrado ser uno de los productos químicos eficaces en la inhibición de la corrosión de metales. Este estudio fue llevado a cabo con la teoría de funcionales de la densidad (DFT), utilizando distintos niveles de cálculo. Diversas propuestas fueron evaluadas para estimar los niveles de energía de los orbitales moleculares de frontera (HOMO-LUMO) y su isodensidad. Dichos parámetros fueron considerados para determinar la parte nucleofílica y electrofílica de las moléculas. Finalmente, se llevó a cabo un análisis de la reactividad química con los parámetros de afinidad electrónica, el potencial de ionización, la dureza química y el índice de electrofilicidad; el objetivo fue determinar el efecto sobre la dureza química al cambiar la posición de los sustituyentes

Propriedades Psicométricas da Escala de Planeamento Contextualizada em Educação Física

La planificación del profesor debe responder al entorno en que se desarrolle el proceso de enseñanza-aprendizaje. En ese sentido, el objetivo de este estudio fue adaptar y validar al contexto mexicano el Cuestionario de Influencia en la Planificación en la Educación Física (CIPEF). Participaron 748 docentes de educación física de México (64.2% hombres), con una edad media de 38 años, quienes fueron divididos endos submuestras. Con la primera de ellas, se realizó un análisis factorial exploratorio, que presentó un valor KMO de .869 y una esfericidad de Barlett de: c2= 9433.705; gl= 703; p< .001, y donde los ítems se agruparon en 10 factores (dos de ellos, añadidos para este estudio). Con la segunda submuestra, se realizaron análisis factoriales confirmatorios al modelo de 10 factores (c2/gl= 4.49; NNFI = .98; CFI = .98; RMSEA = .042) y aun modelo de segundo orden (c2/gl = 2.86; NNFI = .90; CFI = .93; RMSEA = .05). Ambos modelos presentaron índices de bondad de ajuste adecuados. Tras realizar el análisis de test-retest en una muestra independiente de 68 profesores de la misma área geográfica, se concluyó que la Escala de Planificación Contextualizada en la Educación Física es un instrumento válido, fiable y estandarizado que permite medir el grado de influencia que ejercen diversos factores sobre la planificación del profesor en el contexto mexicano.The teacher's planning should respond to the environment in which the teaching-learning process takes place. In this sense, the objective of this study was to adapt and validate the Physical Education Planning Influence Questionnaire to the Mexican context. A total of 748 physical education teachers from Mexico (64.2% men), with a mean age of 38 years, participated in the study and were divided into two subsamples. With the first one, an exploratory factor analysis was performed, which presented a KMO value of .869 and a Barlett's sphericity of: c2= 9433.705; df= 703; p< .001, and where the items were grouped into 10 factors (two of them, added for this study). With the second subsample, confirmatory factor analyses were performed on the 10-factor model (c2/df= 4.49; NNFI = .98; CFI = .98; RMSEA = .042) and on a second-order model (c2/df= 2.86; NNFI = .90; CFI = .93; RMSEA = .05). Both models presented adequate goodness-of-fit indices. After performing the test-retest analysis on an independent sample of 68 teachers from the same geographical area, it was concluded that the Contextualized Planning Scale in Physical Education is a valid, reliable and standardized instrument that allows measuring the degree of influence exerted by various factors on the teacher's planning in the Mexican context.O planeamento do professor deve responder ao ambiente em que o processo de ensino-aprendizagem tem lugar. Neste sentido, o objectivo deste estudo era adaptar e validar o CIPEF (Cuestionario de Influencia en la Planificación en la Educación Física) ao contexto mexicano. Um total de 748 professores de educação física do México (64,2% do sexo masculino), com uma idade média de 38 anos, participaram no estudo e foram divididos em duas subamostras. Com o primeiro, foi realizada uma análise de factores exploratórios, que apresentou um valor KMO de .869 e uma esfericidade de Barlett de: c2= 9433.705; gl= 703; p< .001, e onde os itens foramagrupados em 10 factores (dois deles, adicionados para este estudo). Com a segunda subamostra, foram realizadas análises de factores de confirmação no modelo de 10 factores (c2/gl= 4,49; NNFI = .98; CFI = .98; RMSEA = .042) e num modelo de segunda ordem (c2/gl= 2,86; NNFI = .90; CFI = .93; RMSEA = .05). Ambos os modelos apresentavam índices adequados de goodness-of-fit. Após a realização da análise de teste-reteste numa amostra independente de 68 professores da mesma área geográfica, concluiu-se que a Escala de Planeamento Contextualizada em Educação Física é um instrumento válido, fiável e padronizado que permite medir o grau de influência exercida por vários factores sobre o planeamento do professor no contexto mexicano

Computational Molecular Nanoscience Study of the Properties of Copper Complexes for Dye-Sensitized Solar Cells

Abstract: In this work, we studied a copper complex-based dye, which is proposed for potential photovoltaic applications and is named Cu (I) biquinoline dye. Results of electron affinities and ionization potentials have been used for the correlation between different levels of calculation used in this study, which are based on The Density Functional Theory (DFT) and time-dependent (TD) DFT. Further, the maximum absorption wavelengths of our theoretical calculations were compared with the experimental data. It was found that the M06/LANL2DZ + DZVP level of calculation provides the best approximation. This level of calculation was used to find the optimized molecular structure and to predict the main molecular vibrations, the molecular orbitals energies, dipole moment, isotropic polarizability and the chemical reactivity parameters that arise from Conceptual DFT