In this work, a structural and electronic properties of a novel organic arsenate template by 4-aminopyridine, with the gen- eral formula (C5H7N2)(C5H8N2)[AsO4]*H2O ((4-APH)(4-APH2)[AsO4]*H2O) have been presented. The density functional theory (DFT) along with B3LYP hybrid functional...
chemical signals from cells or tissues induced by deformation7,8. These sensors usually composed of nanomaterials as electrode materials and flexible polydimethylsiloxane (PDMS) substrate, yielding hybrid scaffold with synergetic functions and better electrochemical properties9,10,11. However, their ...
In this context, transition metal oxides with a double perovskite structure have attracted considerable attention because of their unique electrical, magnetic, and elastic properties5,6,7. The simple ABO3chemical formula of perovskites allows for high structural and compositional flexibility, as both A ...
Effect of heteroatoms on structural, electronic and spectroscopic properties of polyfuran, polythiophene and polypyrrole: A hybrid DFT approach. J. Mol. Struct. 2023, 1274, 134484. [Google Scholar] Yu, H.; Huang, H.; Reshak, A.H.; Auluck, S.; Liu, L.; Ma, T.; Zhang, Y. ...
The azo-azomethine imines, R1-N=N-R2-CH=N-R3, are a class of active pharmacological ligands that have been prominent antifungal, antibacterial, and antitumor agents. In this study, four new azo-azomethines, R1 = Ph, R2 = phenol, and R3 = pyrazol-Ph-R’ (
The bromo derivative of 1,2,4-oxadiazolyl triazole hybrid effectively inhibits both wild-type and mutant forms of B-Raf, the protein expressed in numerous types of cancer, including melanoma, thyroid, and colon cancers. A morphological analysis of the bromo derivative showed that it could cause...