| 000 | 02645cam a2200349 a 4500 | ||
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| 003 | EG-GiCUC | ||
| 005 | 20250223031545.0 | ||
| 008 | 160908s2015 ua dh f m 000 0 eng d | ||
| 040 |
_aEG-GiCUC _beng _cEG-GiCUC |
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| 041 | 0 | _aeng | |
| 049 | _aDeposite | ||
| 097 | _aM.Sc | ||
| 099 | _aCai01.12.11.M.Sc.2015.Ab.T | ||
| 100 | 0 | _aAbdelrahim Zayed Abdelsamad Moussa | |
| 245 | 1 | 0 |
_aTheoretical, experimental and biological activity studies of some benzimidazolopyrimidine derivatives / _cAbdelrahim Zayed Abdelsamad Moussa ; supervised Hussein M. A. Moustafa , Mohamed E. Elshakre , Walid Mohamed Ibrahim Hassan |
| 246 | 1 | 5 | _a دراسات نظرية و عملية لبعض مشتقات البزايميدازولوبيريميدين و نشاطها البيولوجى |
| 260 |
_aCairo : _bAbdelrahim Zayed Abdelsamad Moussa , _c2015 |
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| 300 |
_a128 P. : _bcharts , facsimiles ; _c25cm |
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| 502 | _aThesis (M.Sc.) - Cairo University - Faculty of Science - Department of Physical Chemistry | ||
| 520 | _aGround state properties of 2,4-diphenyl-1,4-dihydro- benzo[4,5]imidazo[1,2-a]pyrimidine, compound 1, and its derivatives are investigated experimentally and theoretically in Dioxane and DMF. The calculations show that all the studied compounds (1-7) are non-planar, resulting in a significant impact on the electronic and structural properties. The ground state properties of compounds 1-7 at B3LYP/6-311G (d, p) show that compound 5 has the lowest EHOMO, ELUMO, and xE indicating high- est reactivity. Compound 7 is found to have the highest polarity. The observed UV spectra in Dioxane and DMF of compounds 1-4 show 2 bands, while compounds 5-7 show 4 bands in both solvents. Band maxima ({u210C} max) and intensities of the spectra are found to have solvent dependence reflected as blue and red shifts. The theoretical spectra computed at TD-B3LYP/6- 311G (d, p) in gas phase, Dioxane and DMF nicely reproduce the observed spectra. Selected compounds 1, 2, 5 and 6 have made biological activity test. The tested compounds have antibacterial activity in the arrangement 1, 2, 5 and 6 but don{u2019}t have any antifungal activities on the tested microorganisms | ||
| 530 | _aIssued also as CD | ||
| 653 | 4 | _aDFT/B3LYP | |
| 653 | 4 | _aPyrimido[1,2-a] benzimidazoles | |
| 653 | 4 | _aTD-DFT | |
| 700 | 0 |
_aHussein Mohamed Ahmed Moustafa , _esupervisor |
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| 700 | 0 |
_aMohamed Elsayed Elshakre , _esupervisor |
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| 700 | 0 |
_aWalid Mohamed Ibrahim Hassan , _esupervisor |
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| 856 | _uhttp://172.23.153.220/th.pdf | ||
| 905 |
_aNazla _eRevisor |
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| 905 |
_aSoheir _eCataloger |
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| 942 |
_2ddc _cTH |
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| 999 |
_c57693 _d57693 |
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