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کاربرد نوع شرط:
- جایگاه : پژوهشی
- مجله: Journal of Chemical Reviews
- نوع مقاله: Journal Article
- کلمات کلیدی: DFT,HOMO-LUMO,GAUSSIAN09,pyrazolo pyrimidine derivatives,quantum chemical calculation
- چکیده:
- چکیده انگلیسی: In this review we synthesized and conducted a computational studies on Pyrazolo pyrimidine’s derivatives that were carried out through density functional theory level utilizing HF/6−311+G**and B3LYP/6−311+G**. Charge transfer occured through molecule was shown by the calculation of HOMO and LUMO energies. The electric dipole moment values (l) of the molecule were counted calculations of DFT. Some geometrical and structural parameters such as total energies (E), relative energies (DE), (bond length in Å, angles in degree), energy gap, relative Gibbs free energy, dipole moment, and molecular electrostatic potentials (MEP) were studied.
- انتشار مقاله: 27-03-1398
- نویسندگان: Hussein Shaban Hussein Mohamed,Sayed Abdelkader Ahmed
- مشاهده
- جایگاه : پژوهشی
- مجله: Advanced Journal of Chemistry-Section A
- نوع مقاله: Journal Article
- کلمات کلیدی: Antimicrobial,Antioxidant,Chitosan,Schiff base,Anti-protozoal
- چکیده:
- چکیده انگلیسی: Modification of chitosan any Schiff base reaction with acetophenone derivatives was done. Fourier transformer infrared analysis (FT-IR), scanning electron microscope (SEM), and X-ray diffraction (XRD) were used as the appropriate characterize the Schiff base derivatives. Thermal behavior of the prepared materials was also studied. Various biological activities were examined for the prepared materials antimicrobial activity including antibacterial (studied against Streptococcus sp. Bacillus subtilis and Sarcina lutea as an example for gram-positive bacteria and Pseudomonas aeruginosa and Escherichia coli as an example for Gram-negative bacteria), anti-fungal (against Candida albicans) and anti-protozoal (against Trypanosoma cruzi and Leishmania donovaniwas). Antioxidant activity of chitosan and its Schiff base derivatives was detected using the FRAP and DPPH techniques. Colon carcinoma (Colo 205), hepatocellular carcinoma (Hep G2), urinary bladder carcinoma (T24P) and embryonic kidney adenocarcinoma (293) used to examine the anticancer activity of chitosan and its modified derivatives. The new chitosan Schiff base derivatives showed superior anti-bacterial, antifungal, anti-protozoal and antioxidant activity than parent chitosan. But in case of anticancer test of HebG2 and T24P chitosan was more effective than the modified derivatives.
- انتشار مقاله: 20-04-1398
- نویسندگان: Olivia Hanaa Raouf,Samy Selim,Hussein Mohamed,Omayma Fawazy Abdel-Gawad,Ali Mahmoud Elzanaty,Sayed Abdel-Kader Ahmed
- مشاهده
- جایگاه : پژوهشی
- مجله: Advanced Journal of Chemistry-Section A
- نوع مقاله: Journal Article
- کلمات کلیدی: Antimicrobial,Antioxidant,Chitosan,Schiff base,Anti-protozoal
- چکیده:
- چکیده انگلیسی: Modification of chitosan any Schiff base reaction with acetophenone derivatives was done. Fourier transformer infrared analysis (FT-IR), scanning electron microscope (SEM), and X-ray diffraction (XRD) were used as the appropriate characterize the Schiff base derivatives. Thermal behavior of the prepared materials was also studied. Various biological activities were examined for the prepared materials antimicrobial activity including antibacterial (studied against Streptococcus sp. Bacillus subtilis and Sarcina lutea as an example for gram-positive bacteria and Pseudomonas aeruginosa and Escherichia coli as an example for Gram-negative bacteria), anti-fungal (against Candida albicans) and anti-protozoal (against Trypanosoma cruzi and Leishmania donovaniwas). Antioxidant activity of chitosan and its Schiff base derivatives was detected using the FRAP and DPPH techniques. Colon carcinoma (Colo 205), hepatocellular carcinoma (Hep G2), urinary bladder carcinoma (T24P) and embryonic kidney adenocarcinoma (293) used to examine the anticancer activity of chitosan and its modified derivatives. The new chitosan Schiff base derivatives showed superior anti-bacterial, antifungal, anti-protozoal and antioxidant activity than parent chitosan. But in case of anticancer test of HebG2 and T24P chitosan was more effective than the modified derivatives.
- انتشار مقاله: 20-04-1398
- نویسندگان: Olivia Hanaa Raouf,Samy Selim,Hussein Mohamed,Omayma Fawazy Abdel-Gawad,Ali Mahmoud Elzanaty,Sayed Abdel-Kader Ahmed
- مشاهده