In this research at the first, xylometazoline hydrochloride drug (XY) and its fullerene connected form (FXY) were optimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level, in the gas phase and the liquid phase. These calculations can be performed at different accuracy levels depending on the aim of the theoretical study....

In this research at the first, captopril drug (CA) and its fullerene connected form (FCA) wereoptimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at theB3LYP/6-31G quantum chemistry level, in the gas phase and the liquid phase. These calculations canbe performed at different accuracy levels depending on the aim of the theoretical study [1]. Forinstance, Densi...

In this research at the first, xylometazoline hydrochloride drug (XY) and its fullerene connected form (FXY) were optimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at the B3LYP/6-31G* quantum chemistry level, in the gas phase and the liquid phase. These calculations can be performed at different accuracy levels depending on the aim of the theoretical study....

abstract. topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. graph theory is a delightful playground for the exploration of proof techniques in discrete mathematics and its results have applications in many areas of sciences. a graph is a ...

ZnO thin films were deposited on Si(400) substrates by e-beam evaporation technique, and then post-annealed at different annealing temperatures (200-800°C). Dependence of the crystallographic structure, nano-strain, chemical composition and surface physical Morphology of these layers on annealing temperature were studied. The crystallographic structure of films was studied using X-Ray Diffracti...

in protein biochemistry, biochemists specially study proteins as complex polymers. protein biochemistry is the study of the chemical structure of proteins, including individual amino acids, their linkage as well as physical structure of proteins. proteins, especially globular proteins, are three dimensional in nature. proper function of globular proteins is tightly related to their three-dimens...

lysozyme is a bactericidal enzyme whose structure and functions change in diabetes. chemical chaperones are small molecules including polyamines (e.g. spermine), amino acids (e.g. l-lysine) and polyols (e.g. glycerol). they can improve protein conformation in several stressful conditions such as glycation. in this study, the authors aimed to observe the effect of l-lysine as a chemical chaperon...

A model for heat-recirculating micro combustor is developed. It investigates the structure of laminar, one-dimensional and steady state flame propagation in uniformly premixed wood particles with considering the effects of heat recirculation caused by configuration of micro combustor. The flame structure is divided into three regions: a preheat-devolatilization zone where the rate of the gas-ph...

groundwater quality characteristics are affected by lithology and geological structure of aquifer formations. this research has studied the groundwater chemical quality of the upper aji-chai basin with regard to different geological formations. using pie and piper diagrams, the researchers analyzed hydro-chemical elements of 47 sample groundwater resources. after determining water type of sampl...