Interacción de SWCNTs con anticancerígenos de dopamina y serotonina a través de métodos de QM/MM: Un enfoque de administración de medicamentos / SWCNTs Interaction with Dopamine and Serotonin Anticancer Through QM/MM Methods: A Drug Delivery Approaches

Objetivo: La dopamina y la serotonina son los dos importantes transmisores biológicos que tienen actividades hormonales y son responsables de la felicidad y el bienestar. El objetivo de este artículo fue estudiar teóricamente las características estructurales de la dopamina y la serotonina en el complejo de nanotubos de carbono de pared simple como neurotransmisor. Material y métodos: Se estudió la estructura de la unión de dopamina y serotonina con SWCNT con cuatro diámetros diferentes (7.0, 7.5, 7.7, 10.0 nm) utilizando mecánica molecular (MM) y mecánica cuántica (QM). Las energías notables, incluida la energía potencial, la energía total y la energía cinética en el tiempo de simulación en pasos de 10 ns en dos temperaturas (298, 310 grados kelvin), fueron investigadas por el método de Monte Carlo con fuerza opls archivada. También se han cumplido los datos del tensor de blindaje de RMN según el nivel de teoría B3LYP con 6-31 G (d) como conjunto de base y método semi empírico. Resultados: Se realizaron cálculos teóricos para estudiar los datos de desplazamiento químico de RMN, incluido el tensor de blindaje magnético (σ, ppm), la asimetría de blindaje (η), la anisotropía de blindaje magnético (σaniso), la isotropía de blindaje magnético (σiso), la desviación de un tensor (Κ) y anisotropía de desplazamiento químico (Δσ) y span (Ω) en varios ángulos de rotación alrededor de una rotación específica, propiedades físicas y químicas de los núcleos atómicos. Se revelaron cálculos semi empíricos como energía total, energía de enlace, energía atómica aislada, energía electrónica, interacción núcleo-núcleo y calor de formación en Am1. Conclusión: En el método Monte Carlo se deduce que nuestros dos fármacos específicos y su nanotubo de pequeño diámetro son los más estables que los demás. El diámetro más grande lleva la estabilidad de la combinación a un valor más bajo.

Objetive:Dopamine and Serotonin are the two important biological transmitters that have hormonal activities and responsible for happiness and felling well. The aim of this article was to study theoretically the structure features of Dopamine and Serotonin in the complex of single-walled carbon nanotube as a neurotransmitter. The structure of Dopamine and Serotonin binding with Material and Methods:SWCNTwith four different diameters (7.0,7.5,7.7,10.0 nm) was studied by using molecular mechanic (MM) and quantum mechanic (QM). The remarkable energies including potential energy, total energy and kinetic energy in time of simulation 10 ns steps in two temperatures (298, 310 kelvin degree) were investigated by Monte Carlo method with opls force filed. NMR shielding tensor data by B3LYPlevel of theory with 6-31 G(d) as a basis set and semi empirical method have been also fulfilled.Results: Theoretical computations were performed to study NMR chemical shift data including magnetic shielding tensor (σ, ppm), shielding asymmetry (η), magnetic shielding anisotropy (σaniso), magnetic shielding isotropy (σiso) , skew of a tensor (Κ) and chemical shift anisotropy (Δσ) and span (Ω) at various rotation angles around a specific rotation, physical and chemical properties of atomic nuclei. Semi empirical calculations such as total energy, binding energy, isolated atomic energy, electronic energy, core­core interaction and heat of formation in AM1 were revealed. It is figured out Conclusion:in Monte Carlo method our two specific drug and its nanotube with small diameter are the most stable one than the others. The larger diameter leads the combination stability into lower value

Investigating management of waste in governmental medical and hygienic centers of farash band’s city.

Introduction: Growth of urbanization has led to changes in production and components of nosocomial wastes and proper management of repelling solid wastes is an issue that has direct relationship to health and infection’s control in society. Although the numbers of these materials are low, but can cause lots of dangers. This study has been done with the aim of determining quantity and quality and also condition of management of wastes at medical and hygienic centers in year 94. Methodology: In this descriptive-sectional study that performed at governmental hygienic and medical centers of Farash Band, productive wastes divided into 3 main groups and the condition of wastes management was also investigated on the basis of prepared check list from management’s regulation of nosocomial wastes. By using panel regression, the effect of various variables on rate of infectious wastes and all the productive and nosocomial wastes was analyzed. Results: Findings of study showed that productive wastes are related to the numbers of referred people and are more than other hygienic and medical centers in hospitals. Although a meaningful relation between the rate of productive and infectious wastes and the numbers of referred people has not been observed, but the rate of productive and infectious waste in hospitals was more than other centers and it was statistically meaningful. Conclusion: Daily productions of thousands tons of waste in different areas (of country) and all kinds that they have according to pollution, are an issues that considering population’s growth and development of industry and technology should be placed at up to hygiene and environment’s plans of the country. According to the importance of this issue, at first items about hygienic dangers, type and the rate of waste and then collection and excretion systems should be noticed.

Evaluating managers’ leadership style, career self-efficacy and burnout among nurses.

Introduction: The present study examined the relation between managers’ leadership style and burnout through career self-efficacy in the framework of a scientific model. Methodology: The study participants included 240 nurses (205 women, 35 men) from Shiraz city hospitals who were selected based on random multistage cluster sampling method. The participants completed three questionnaires of leadership style inventory, career self-efficacy and burnout. The model was analyzed using multiple regression method in simultaneous style based on Baron & Kenni stages. Results & Conclusion: The results showed that: a) managers leadership style is predictive of burnout dimensions, b) managers leadership style is predictive of career self -efficacy dimensions. Totally, the present study findings and Sobel test results showed that career self-efficacy has a moderate role between managers’ leadership style and burnout.