الفهرس 
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Abstract
The present thesis includes five main chapters, and the contents are subdivided into introduction, experimental, results and discussion, theoretical study and biological activity, as well as list of used references, English and Arabic summary. The main chapters can be summarized as:
Chapter I:
This chapter included an introduction for the literature survey of the previous studies carried out on acyclovir, valacyclovir and Schiff base compounds, their metal complexes, and nano complexes. Different methods for synthesis and different tools for characterization as well as their coordination ability and biological efficiency.
Chapter II:
This chapter included a detailed account about the experimental procedures used in the present work. The used materials and solvents, the methods of preparation of Schiff base ligands, and their nano metal complexes with metal ions [Cr(III), Mn(II), Co(II), Ni(II), Cu(II) and Zn(II)] in different media (EtOH, CTAB/EtOH, SO/EtOH and MP/EtOH), preparation of used solutions, the physical measurements and apparatus, the working procedures for biological activity, electrical conductivity, as well as molecular modeling and molecular docking.
Chapter III:
This chapter included the results together with their discussion; it is subdivided into two parts:
1- The first part comprised the results of studying the organic ligands together with their discussion, it included the following:
a- The infrared spectra of the ligands under investigation, the main bands were assigned and interpreted.
b- The electronic absorption spectra of the ligands in DMF solutions, the main bands were assigned and interpreted.
c- The 1H-NMR spectra of the ligands were assigned and interpreted.
d- The mass spectra of the ligands and mass fragmentation pattern of the ligands were discussed and interpreted.
e- The molecular modeling study for the ligands under investigation.
2- The second part comprised the results of studying the synthesized nano metal complexes with their discussion, it included the following:
a- The results of elemental analyses, and molar conductance measurements of the metal complexes in DMF solution.
b- The infrared spectra of the metal complexes were recorded. The important bands were assigned and identified. The results revealed that the acyclovir behaves as a bidentate (NO) chelating ligand towards the metal ions via the carbonyl oxygen and the five-membered ring nitrogen (N7) atoms, and the Schiff-base ligands under investigation act as bidentate towards the metal ions in a mono-deprotonated form via the azomethine-N and the naphtholic (phenolic) – O atoms.
c- The results of the 1H-NMR, spectra of the Zn(II) complexes under investigation were assigned and interpreted.
d- The results of thermogravimetric analysis of the metal complexes to identify coordinated or lattice water or solvent and the thermal stability of these complexes.
e- The magnetic moment values were determined to give some information about the geometrical structures of the metal complexes.
f- The electronic spectra of the metal complexes in DMF solutions were discussed and assigned to gain some information about the geometry around metal ions. The data confirmed the results obtained from the magnetic moment study and showed the metal complexes exhibited different geometrical arrangements: octahedral, tetrahedral and square-planar structures.
g- The results of electron spin resonance spectra of Mn(II), Co(II) and Cu(II) in the solid state, in order to throw more light about the geometry of the complexes under investigation. The results agreed with those gained from both electronic spectra and magnetic moment measurements.
h- The particle size and morphology of nano Cr(III), Mn(II), Co(II), Ni(II), Cu(II) and Zn(II) complexes were characterized by X-ray powder diffraction (XRD), and transmission electron microscopy.
Chapter IV:
This chapter comprised the theoretical studies of the ligands under investigation and their metal complexes, it included the following:
a- Molecular modeling and DFT calculation studies of the ligands and their metal complexes were reported to gain better insight on the molecular structures and chemical reactivity of the ligands and their metal complexes under investigation.
b- A computational molecular docking analysis were performed to study the binding pattern of the ligands and their Cu(II) complexes with DNA.
Chapter V:
This chapter comprised biological activity and electrical conductivity studies of the ligands and their nano metal complexes. It includes the following:
1. In vitro antibacterial and antifungal activities were screened against some kinds of bacteria and fungi. The ligands and their nano complexes showed activity against the selected kinds of bacteria and fungi with enhancement in activity upon complex formation.
2. The antitumor activity of the ligands and their nano complexes was investigated in vitro against Hepatocellular carcinoma cell line (HepG-2 cells). The data obtained indicated that all investigated compounds exhibited an inhibition of cell growth with enhancement in activity on coordination, and the nano Cu(II) complexes exhibited strong antitumor activity.
3. The ability of nano Cu(II) complexes to cleavage DNA has been tested using the gel electrophoresis method. The results obtained showed the ability of investigated nano Cu(II) complexes to degrade DNA which supports the activity of these complexes as strong antitumor agents capable to DNA-binding and inhibits growth of the tumor cell.
4. The alternating current (AC) conductivity (σac) of the ligands and their nano metal complexes was measured over the frequency range from 0.1 kHz to 8 MHz and temperature range 308 to 408 K using thin-film samples, to obtain insight into the electrical properties of the investigated compounds. The data obtained revealed that the ligands and their nano complexes have a semiconducting character within the studied temperature region, and the hopping model is applicable to describe the mechanism of conduction process for the compounds under investigation.
Finally, the thesis ended with list of references.