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Microwave-assisted synthesis, characterizations, antimicrobial activities, and DFT studies on some pyridine derived Schiff bases     
Yazarlar
Melike Ayaz
Doç. Dr. Özlem GÜNDOĞDU AYTAÇ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Dr. Öğr. Üyesi Sertan AYTAÇ
Türkiye
Prof. Dr. Belgin ERDEM
Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Harun ÇİFTÇİ
Kırşehir Ahi Evran Üniversitesi, Türkiye
Yusuf Erdoğdu
Gazi Üniversitesi, Türkiye
Özet
This study reports a joint experimental, theoretical and microbiological investigation on the (E)-N,N-dimethyl-4-((pyridine-2-ylmethylene)amino)aniline (5), (E)-N,N-dimethyl-4-((pyridine-4-ylmethylene)amino)aniline (6) and (E)-N,N-dimethyl-4-((pyridine-3-ylmethylene)amino)aniline (7). These compounds were synthesized with microwave method and their structures characterized by FT-IR, 1H-NMR, 13C-NMR, and elemental analysis tecniques. In the theoretical studies, torsional barriers analysis, ground state structure, Fourier Transform Infrared spectra (FT-IR), and Nuclear Magnetic Resonance spectra (NMR) of 5, 6, and, 7 were calculated by Density Functional Theory (DFT) computations. The conformers obtained from the torsional barrier scanning were optimized by B3LYP/6-31G(d,p) level. The harmonic vibrational frequencies, potential energy distribution (PED), infrared intensities, and NMR chemical shifts of the most stable conformers were determined using the B3LYP/6-311++G(d,p). Theoretically, predicted spectral data were compared with experimental results. Antimicrobial studies of the synthesized compounds were performed against various microbial strains. Antimicrobial activities of 5, 6, and, 7 were tested against selected bacteria and yeast through minimum inhibitory concentration (MIC) and diffusion method. Compound 7 was found to be the most active against bacteria and yeast, while compound 5 was found to be moderately active. Compounds 6 (against S. aureus and C. albicans) and, 7 were found to have a very high minimum inhibitory concentration, ranging between 1.95 and 7.81 g/mL (against P. aeruginosa and E. coli). Compounds (6 and 7) showed zone of inhibition values in the range of 10–20 mm against other bacteria except L. monocytogenes and S. thyphimurium.
Anahtar Kelimeler
Antimicrobial activities | Characterizations | DFT | Microwave synthesis | Schiff bases
Makale Türü Özgün Makale
Makale Alt Türü SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale
Dergi Adı Journal of Molecular Structure
Dergi ISSN 0022-2860
Dergi Tarandığı Indeksler SCI-Expanded
Dergi Grubu Q3
Makale Dili Türkçe
Basım Tarihi 12-2022
Cilt No 1269
Doi Numarası 10.1016/j.molstruc.2022.133791
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2022.133791