الفهرس | Only 14 pages are availabe for public view |
Abstract VII LIST OF TABLES page Table (1) Structure of flavonoied 17 Table (2) Classification, structure and food sources of some dietary falvonoids 20 Table (3) DFT parameters calculated for the synthesized compounds 66 Table (4) Molecular interactions and interacting residues of the AchE with chromene derivatives Table (5) ADMET proprieties of the chromene derivatives. Table (6) Antimicrobial activity and diameter inhibition zone (mm) of the synthesized compounds (NA → No Activity). 84 Table (7) aMinimum Inhibitory Concentration; bCalculated values used to generate QSAR models 86 Table (8) Minimum inhibitory concentration (MIC, μg/mL) of the newly synthesized compounds 87 SUMMARY Summary Chromone glycoside 2-5 was conveniently synthesized by green chemistry methods in 3 steps of 2,4,6 - hydroxyacetophenone (commercially available Phloracetophenone and Acetophloroglucine) with the introduction of glucosyl by O-stereoselective glycosyl with glucosyl peroxide in each O-followed chalcone by intensifying aldol with cynamol. Finally, a removal was performed to create 3 and 5 b yields of 13% and 14%, respectively. The functional density theory (DFT) was then applied to explore the structural and electronic properties of these materials. It was found that compound 2 showed the highest antibacterial and antifungal activity against C. Albicans showing increased biological convergence compared to cholesteremazole with MIC values of 7.7 and 7.8 mg / ml, respectively. All compounds were identified based on their preliminary analysis and spectral data. We described a simple and practical artificial procedure whereby agate 1, 2 and 3 were synthesized in the total yield of 13%, 14% and 90%, respectively. This proposed industrial route for these simple, simple calcium glycosides can be used as a viable procedure for the synthesis of SUMMARY many calcium siliconesdesign, green synthesis of sixteen of novel 8- azacoumarin derivatives. All compounds confirmed by IR and NMR spectra, analytical data. DFT study to explain the product structures under ultrasonic irradiation and their activities. These compounds were evaluated for their antimicrobial activities against C. Albicans that show increasing biological affinity compared to that of Colitrimazole drug with MIC values 7.7 and 7.8 mg/mL, respectively. All the synthesized compounds have been characterized based on their elemental analyses and spectral data. Full analysis of IR, NMR and MS spectra of isolated Hesperidin 3 from extracted compounds 1 and 2 are good evidence for the structure assigned to this compound; the C=O group at 1672 cm–1 corresponding to carbonyl of the chromone ring. The lower value of the carbonyl group due to the presence of intramolecular hydrogen bonds. Its 1H-NMR spectrum displays specific signal of the OH protons is observed at δ 9.80-10.02 ppm as a broad singlet. Scheme 1 outline the retrosynthetic analysis of the hesperidin SUMMARY compound 3. Due to the low yield of the hesperidin, quantum chemical computation and (DFT) simulation help in synthesis of derivatives of the chromones 4 and 5 that is nearer to hesperidin 3 and supported by elemental analysis. In addition to quantum chemical parameters (Table 1) can be helped which the functional groups are responsible in activation for antimicrobial in ground water. So, the authors can be synthesized the chromone derivatives 6-15 to support the antimicrobial activity as compared to hesperidin in addition to utility of them in waste water treatment by mechanism of degradation for Pharmaceuticals, Pesticides and Textile dyes materials that responsible for water pollution Figure 2. Structures of isolated chalcone glycoside from Lemon Juice. |