PM3 and DFT quantum mechanical calculations were employed to give further
insight into the inhibition efficiency of the newly prepared cefotaxime amic acid
derivative. The calculated physical properties and quantum chemical parameters
correlated to the inhibition efficiency such as EHOMO (highest occupied molecular
orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap
(ΔE(HOMO-LUMO)), hardness (η), softness (S), dipole moment (μ), electron affinity
(EA), ionization potential (IE) and active site absorption..…etc., all studied and
discussed at equilibrium geometry in the gas phase and at its right symmetry (C1).
Experimentally the newly prepared cefotaxime derivative could be absorbed on
carbon steel surface with good inhibition efficiency by offering electrons from rich
hetero-atoms such as nitrogen and oxygen to unoccupied d-orbitals of Fe metal and
forming antibonding orbital-feedback bonds.
Background: Endometrial cancer is the most common gynecologic malignancy in the United States and the fourth most common cancer in women, comprising 6% of female cancers.
Objectives: The aim of this study is to investigate the antioxidant vitamins, Coenzyme Q10 and oxidative stress in patients with endometrial cancer.
Patients and methods: Fifty six endometrial cancer women patients with various clinical stages (stage 1A, stage1B, stage II, stage III, stage IV) mean aged 58.055 ± 10.561 years, and 30 healthy women volunteers mean aged 39.731 ± 13.504 years, were includes as control group.
Results: The results in this study revealed a highly significant decreased (P<0.01) in β- carotene, Vitamin E and significant increased
The present work involved designing and synthesizing of a series of new. compounds which their molecules are composed from two biologically active components namely sulfamethoxazole or β-lactam containing drugs and cyclic imides. The target new compounds were synthesized by two steps in the first one a series of six bis (N-drug phthalamic acid_4-yl) ketone (1-6) were prepared from the reaction of sulfamethoxazole or β-lactam containing drugs with benzophenone 3, 3′, 4, 4′ -tetracarboxylic dianhydride.
In the second step, compounds (1-6) were introduced in dehydration reaction via fusion process producing the target compounds bis (N-drug phthalimidyl-4-yl) ketone (7-12). The antibacterial and antifungal high
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