In this work the strain energy of tetrahedrane and its nitrogen substituted molecules were calculated by isodesmic reaction method according to DFT quantum chemical fashion, the used basis set was 6-31G/B3-LYP, in addition all structures were optimized by RM1 semi-empirical method. From the obtained data we estimate an empirical equation connect between strain energy of the molecule with charge functions represented by dipole moment of the molecule plus accumulated charge density involved within the tetrahedron frame plus the number of nitrogen atoms. The results indicate the charge spreading factors by polarization and processes are the most important factors in decreasing the strain energy.
The inhibitory behavior of L-Cysteine (Cys) and its derivatives towards iron corrosion through density functional theory (DFT) was investigated. The current research study undertakes a rigorous evaluation of global as well as local reactivity descriptors of the Cys in protonated as well as neutral forms and the changes in reactivity after the combination of Cys into di- and tripeptides. The inhibitory effect of di- and tri-peptides increases since, in the molecular structure, the number of reaction centers increase. We computed the adsorption energies (Eads) and low energy complexes with most stability for the adsorption of small peptides and Cys amino acids onto the surfaces of Fe (1 1 1). We found that the adsorption of tri-peptides onto
... Show MoreIn many applications such as production, planning, the decision maker is important in optimizing an objective function that has fuzzy ratio two functions which can be handed using fuzzy fractional programming problem technique. A special class of optimization technique named fuzzy fractional programming problem is considered in this work when the coefficients of objective function are fuzzy. New ranking function is proposed and used to convert the data of the fuzzy fractional programming problem from fuzzy number to crisp number so that the shortcoming when treating the original fuzzy problem can be avoided. Here a novel ranking function approach of ordinary fuzzy numbers is adopted for ranking of triangular fuzzy numbers with simpler an
... Show MoreThe aim of this paper is to design a PID controller based on an on-line tuning bat optimization algorithm for the step-down DC/DC buck converter system which is used in the battery operation of the mobile applications. In this paper, the bat optimization algorithm has been utilized to obtain the optimal parameters of the PID controller as a simple and fast on-line tuning technique to get the best control action for the system. The simulation results using (Matlab Package) show the robustness and the effectiveness of the proposed control system in terms of obtaining a suitable voltage control action as a smooth and unsaturated state of the buck converter input voltage of ( ) volt that will stabilize the buck converter sys
... Show MoreBackground: Loss of tooth structure may be due to tooth to tooth contact and presence of abrasive components in the work environment. The aim of study was planned to evaluate the occurrence of dental attrition among Cement factory workers. Material and Method: The Sample included all workers chronically exposed to cement dust in the EL-Kubaisa cement factory (95 workers). A comparative group of workers (97) were non-exposed to cement dust was selected. All workers were males in gender with age range (25-55) years. The assessment of tooth wear was based on the criteria of smith and knight, 1984. Results: The maximum tooth wear score for exposed workers was 84.2% while non exposed workers was 38.1%,with statistical differences between two g
... Show MoreIn aspect-based sentiment analysis ABSA, implicit aspects extraction is a fine-grained task aim for extracting the hidden aspect in the in-context meaning of the online reviews. Previous methods have shown that handcrafted rules interpolated in neural network architecture are a promising method for this task. In this work, we reduced the needs for the crafted rules that wastefully must be articulated for the new training domains or text data, instead proposing a new architecture relied on the multi-label neural learning. The key idea is to attain the semantic regularities of the explicit and implicit aspects using vectors of word embeddings and interpolate that as a front layer in the Bidirectional Long Short-Term Memory Bi-LSTM. First, we
... Show MoreWildfire risk has globally increased during the past few years due to several factors. An efficient and fast response to wildfires is extremely important to reduce the damaging effect on humans and wildlife. This work introduces a methodology for designing an efficient machine learning system to detect wildfires using satellite imagery. A convolutional neural network (CNN) model is optimized to reduce the required computational resources. Due to the limitations of images containing fire and seasonal variations, an image augmentation process is used to develop adequate training samples for the change in the forest’s visual features and the seasonal wind direction at the study area during the fire season. The selected CNN model (Mob
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