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العنوان
Synthesis and characterization of metal complexes of some carbohydrazones derived from 5,6-diphenyl-4- carbohydrazide-3(2H)-pyridazinone/.
الناشر
Ain Shams University, Faculty of Education, Department of Chemistry.
المؤلف
Ahmed، Maha Salem.
هيئة الاعداد
باحث / Maha Salem Ahmed Abd El-Rahman
مشرف / Akila Amin Saleh Labib
مشرف / Mosad Abd El-rahman
مشرف / Fouz Mohamed El said Omar
تاريخ النشر
2023
عدد الصفحات
365p.:
اللغة
الإنجليزية
الدرجة
ماجستير
التخصص
Physical and Theoretical Chemistry
تاريخ الإجازة
1/1/2023
مكان الإجازة
جامعة عين شمس - كلية التربية - قسم الكيمياء.
الفهرس
Only 14 pages are availabe for public view

from 364

from 364

Abstract

The current thesis contains five main chapters, with the contents divided into introduction, experimental, results and discussion, theoretical study, biological activity, and electrical conductivity study as well as list of used references, English and Arabic summary. The main chapters can be summarized as:
Chapter I:
An introduction to the literature review of earlier studies on acid hydrazones, pyridazinones, and their metal complexes was given in this chapter. Various methods for synthesis, several techniques for characterization, as well as their ability for coordination and biological activity.
Chapter II:
The experimental procedures employed in the current work were described in this chapter. The materials and solvents that were employed, the procedures for synthesis of pyridazinone-acid hydrazone ligands, DCNHP (H2L1) and DCCHP (HL2), derived from the condensation of 5,6-diphenyl-4-carbohydrazide-3(2H)-pyridazinone with 2-hydroxy-1-naphthaldehyde and 3-formyl chromone, respectively, and their metal complexes with metal ions Co(II), Ni(II), Cu(II), Fe(III), Zn(II), VO(IV) and UO2(VI), in addition of the mixed-ligand complexes using 8-HQ, 1,10-phen, or 2,2′-bipy as an auxiliary ligand, preparation of solutions that were used, the Instruments and physical measurements, the working methods for biological activity, Electrical conductivity, as well as molecular modeling and molecular docking.
Chapter III:
The results and their discussion were included in this chapter, which was divided into two sections:
1- The results of the organic ligands under study as well as their discussion were presented in the first section, which included the following:
a- The findings of elemental analyses of the investigated ligands.
b- The IR spectra of the ligands. The characteristic bands were identified and interpreted.
c- The electronic absorption spectra of the ligands in DMF solutions. The main bands were assigned and explained.
d- The 1HNMR spectra of the ligands. The important bands were identified and explained.
e- The mass spectra of the ligands. Mass fragmentation pattern of the ligands were discussed and interpreted.
f- The molecular modeling study for the ligands. The data were analyzed and discussed.
2- The second part contained the findings of the synthesized metal complexes under investigation and their discussion, it included the following:
a- The findings of elemental analyses of the metal complexes as well as molar conductivity measurements in DMF solution.
b- The IR spectra of the metal complexes, the significant bands have been assigned and interpreted. The results showed that the ligands, behave as tridentate chelating agents and the auxiliary ligands, 8-HQ and 1,10-phen/2,2′-bipy, acted as bidentate chelating agents towards the metal ions, and the bonding between the metal ions and the ligands under study is through the donor oxygen and nitrogen atoms.
c- The 1HNMR spectra of the Zn(II) and UO2(VI) complexes. The significant bands were assigned and interpreted.
d- The results of TGA of the metal complexes, to decide whether the water or solvent molecules are inside or outside the coordination sphere of the central metal ion, and to get information about thermal stability of these complexes.
e- The mass spectra of the metal complexes, to confirm the stoichiometric compositions of these complexes.
f- The magnetic moment values of the metal complexes, to give some information about the geometrical structures of these complexes.
g- The electronic spectra of the metal complexes in DMF solutions, to learn more about the geometry around metal ions. The data supported the findings of the magnetic moment measurements and demonstrated that the metal complexes displayed a variety of geometrical configurations including octahedral, square pyramidal, and tetrahedral structures.
h- The ESR spectra of Cu(II) and VO(IV) complexes, to throw considerable light on the structures and geometries of these complexes. The results agreed with those obtained from both electronic spectra and magnetic moment measurements.
i- XRD and TEM analyses, to characterize the particle size and morphology of the ligands and their Co(II), Ni(II), Cu(II), Fe(III) and Zn(II) complexes. The results indicated that the particles of the investigated complexes were located at the nanoscale and showed uniform and homogeneous surface morphology with spherical and stick shaped.
Chapter IV:
Theoretical studies of the ligands and their metal complexes were presented in this chapter, which included the following:
a- Molecular modeling and DFT calculation studies, to understand the mode of bonding and confirm the geometrical structures, and to describe the chemical reactivity of the ligands and their metal complexes. The results revealed that the current metal complexes may exhibit high biological activity due to their high chemical reactivity in comparison with the free ligand, which in agreement with the obtained experimental results.
b- Molecular docking study, to explore the binding pattern of the investigated compounds with VEGFR-2 enzyme, and with DNA. The docking data revealed strong interactions of both the ligand DCNHP (H2L1) and its Cu(II) complex 7 with the target enzyme (VEGFR-2), and indicated strong interactions of both the ligand DCCHP (HL2) and its Cu(II) complex 24 with DNA, which suggested the potent inhibitory effects of the investigated compounds on tumor cells.
Chapter V:
Studies on biological activities and electrical conductivity of the ligands and their nano metal complexes were discussed in this chapter, which includes the following:
1.Antimicrobial activity study. The findings suggested that coordination with the metal ions enhanced the activity of the free ligands, and most of the examined nano metal complexes showed good activities against the tested bacterial and fungal species.
2.Antitumor activity study. The results showed that all investigated compounds inhibited the growth of HepG-2 cells, and they also suggested that the ligand DCNHP (H2L1) and its nano Cu(II) complex 7, as well as the mixed-ligand nano Cu(II) complexes 25, 26 and the nano Zn(II) complex 29 of the ligand DCCHP (HL2), might have potent antitumor effects on HepG-2 cells. Additionally, the mixed-ligand nano Cu(II) complex 26 and the nano Zn(II) complex 29 showed IC50 values that were lower than those of the standard drug cis-platin and may function as effective antitumor agents against HepG-2 cells.
3.DNA cleavage investigation. The results demonstrated that while the ligand DCCHP (HL2) and its nano Cu(II) complex 24 have the capability to damage DNA at various concentrations, the ligand DCNHP (H2L1) and its nano Cu(II) complex 7 are unable to cleave DNA.
4.The alternating current (AC) conductivity (σac) studies. The results indicated that the ligands, DCNHP (H2L1) and DCCHP (HL2), and their investigated nano Cu(II) complexes have semiconducting characteristics between 308 and 408 K. The conduction process is carried out by the hopping mechanism, and the electronic motion is a thermally activated process.
Finally, the thesis ended with list of used references.