the aim of this research is to calculate the elastic constants and bulk modulus of cu-20 wt% ni random nanoalloy. the molecular dynamics simulation technique was used to calculate the mechanical properties in npt ensemble. the interaction between atoms as well as cohesive energy in the nanoalloy modeled systems was calculated by morse et al. two body potential. also the temperature of the syste...

Objective: Phenolic compounds have been considered inhibitors of various cancers. Material and Methods: In this study, caffeic acid and gallic acid were appraised for their possible effects on apoptotic genes expression in a breast cancer cell line in vitro. We also evaluated ligand interaction and ligand binding with estrogen receptor alpha by m...

When a ribonucleic acid (RNA) molecule folds, it often does not adopt a single, well-defined conformation. The folding energy landscape of an RNA is highly dependent on its nucleotide sequence and molecular environment. Cellular molecules sometimes alter the energy landscape, thereby changing the ensemble of likely low-energy conformations. The effects of these energy landscape changes on the c...

We report here on the coordination properties of a series lanthanide cations (Ln=La, Nd, Eu, Tb, Er) with tripodal homoditopic ligand L, which is bearing three diamido-dihydroxamate arms anchored tertiary amine. The complexes L lanthanides were studied in MeOH/H2O (80/20 by weight) solvent and marked size-discriminating effect depending intramolecular interactions was observed dinuclear edifice...

Ensemble learning (process of combining multiple models into a single decision) is an effective tool for improving the classification performance of inductive models. While ideal for domains like bioinformatics with many challenging datasets, many ensemble methods, such as Bagging and Boosting, do not take into account the high-dimensionality (large number of features per instance) that is comm...

The synthesis and analytical applications of the new heterocyclic ligand are described. The complexation reaction of the ligand with some cations was studied in aqueous methanol at room temperature using the spectrophotometric method. Results revealed that only the absorption spectra of the Fe (III)–ligand complex show a high redshift of the absorption maximum in the aqueous methanol soluti...

there are three major strategies to form neural network ensembles. the simplest one is the cross validation strategy in which all members are trained with the same training data. bagging and boosting strategies pro-duce perturbed sample from training data. this paper provides an ideal model based on two important factors: activation function and number of neurons in the hidden layer and based u...