Dual function of new Nd(III) and Gd(III) complexes for cytotoxic and optoelectronic fields: Synthesis, characterization, DFT calculations, and PVA composite films

Abstract

New two lanthanide complexes of Neodymium (III) and Gadolinium (III) ions were prepared based on 2‐Cyano‐N′‐([4‐oxo‐4H‐chromen‐3‐yl]methylene) acetohydrazide as a chelating agent. The prepared Nd(III) and Gd(III) complexes were characterized via elemental analysis, molecular conductance, IR, and TGA. The obtained results showed the chelating agent behaves as tridentate via oxygen of γ pyrone and carbonyl groups and nitrogen of the azomethine group. The antitumor activity of isolated complexes was investigated against the Ehrlich Ascites Carcinoma cell line (E.A.C). The results of antitumor activity cleared that Gd(III) complex has higher activity than Nd(III) complex and moderate activity relative to cisplatin and 5‐Furacil. Besides, DFT calculations were estimated for prepared Nd(III) and Gd(III) complexes by the Gaussian program. Theoretical parameters were calculated. The energy gap values confirmed the higher activity of the Gd(III) complex over the other Nd(III) complex. In addition, the composite films of Nd(III) and Gd(III) complexes were prepared using the cast technique. The electrical and optical absorption properties of these polymer composites were analyzed.

Novel thiosemicarbazone complexes as anticancer agents: Synthesis, characterization, cytotoxicity, docking, and density functional theory studies

“…The greater HOMO energy indicated the higher ability of the compound to donate its electrons. Although the higher LUMO energy means the greater ability of the compound to accept electrons 51,52 . According to the obtained theoretical data, DABT exhibits more donation power than its Co (II) or Ni (II) and Cu (II) ions in DABT complexes.…”

“…Although the higher LUMO energy means the greater ability of the compound to accept electrons. 51,52 According to the obtained theoretical data, DABT exhibits more donation power than its Co (II) or Ni (II) and Cu (II) ions in DABT complexes. Besides, the ease of accepting electrons of Co (II) or Ni (II) and Cu (II) ions from DABT to form a stable complex.…”

A 30-Year Review on Nanocomposites: Comprehensive Bibliometric Insights into Microstructural, Electrical, and Mechanical Properties Assisted by Artificial Intelligence

“…A critical area of this research involves the integration of diverse nanofillers, such as carbon nanotubes (CNTs) [ 11 ], graphene oxide (GO) [ 12 , 13 ], silica nanoparticles [ 14 , 15 ], and various metal oxides [ 16 , 17 ], into polymer matrices [ 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 , 37 , 38 , 39 , 40 , 41 , 42 , 43 ]. This integration is vital in enhancing the performance of composite materials.…”