In this work, the synthesis of 6,6'-([2,2'-bi(1,3,4-oxadiazole)]-5,5'-diyl)bis(3-chloroaniline) (6a) and 5,5'-([2,2'-bi(1,3,4-oxadiazole)]-5,5'-diyl)bis(benzene-1,3-diamine) (6b) was carried out and characterized by spectral data from 1H NMR, ¹³C NMR, IR and mass spectrometry. The optical properties of these compounds were studied, in particular the evolution of reflectance, absorption and band gap energy, and a scanning electron microscopy (SEM) analysis was performed. A comparative in-silico study combining DFT-based reactivity analysis, ADMET prediction, and molecular docking were employed for compounds 6a and 6b. Both exhibited distinct reactivity profiles and strong binding affinities toward DNA Gyrase B (7C7N) and the DNA-ruthenium complex (4E7Y), highlighting their potential as antibacterial agents, as well their potential use in photovoltaic application and for near infrared light shielding basing on the optical results.

In this research, acheiving submicrocrystalline structure in commercially pure Al is investigated using severe plastic deformation (SPD) method named constrained groove pressing (CGP). In order to find a procedure that acts more effective in grain refinement and mechanical properties enhancement, three experimental procedures were defined and carried out. The procedures were defined by variables of die groove angle (45° and 50°) and using Cu covering sheets at top and down of the specimens instead of rigid die surface as a lubricant. Grain refinement during CGP process was investigated by William-hall analysis on X-Ray diffraction pattern and scanning electron microscopy (SEM). The results show that CGP process in all three procedures can severely refine the microstructure to an ultra-fine grained (UFG) structure with less than 1 micron grain size. Although grain refinement rate in die with 50° groove angle is higher but because of facility of applying extra CGP passes in 45° groove angle die with covering sheets (procedure 2), final grain size in procedure B is lesser. Mechanical properties of CGPed samples was investigated by tensile and hardness tests and the results show that at primary passes in all procedures strength-related properties increases significantly through a decrease in elongation, but at subsequent passes this behaviuor is diffentent for each procedure.