A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Spectroscopic, density functional theory, nonlinear optical properties and in vitro biological studies of Co(II), Ni(II), and Cu(II) complexes of hydrazide Schiff base derivatives (2021)
Ramadan, R. M., El‐Medani, S. M., Makhlouf, A., Moustafa, H., Afifi, M. A., Haukka, M., & Aziz, A. (2021). Spectroscopic, density functional theory, nonlinear optical properties and in vitro biological studies of Co(II), Ni(II), and Cu(II) complexes of hydrazide Schiff base derivatives. Applied Organometallic Chemistry, 35(7), Article e6246. https://doi.org/10.1002/aoc.6246
JYU-tekijät tai -toimittajat
Julkaisun tiedot
Julkaisun kaikki tekijät tai toimittajat: Ramadan, Ramadan M.; El‐Medani, Samir M.; Makhlouf, Abdelmoneim; Moustafa, Hussein; Afifi, Manal A.; Haukka, Matti; Aziz, Ayman, Abdel
Lehti tai sarja: Applied Organometallic Chemistry
ISSN: 0268-2605
eISSN: 1099-0739
Julkaisuvuosi: 2021
Ilmestymispäivä: 29.03.2021
Volyymi: 35
Lehden numero: 7
Artikkelinumero: e6246
Kustantaja: John Wiley & Sons
Julkaisumaa: Britannia
Julkaisun kieli: englanti
DOI: https://doi.org/10.1002/aoc.6246
Julkaisun avoin saatavuus: Ei avoin
Julkaisukanavan avoin saatavuus:
Tiivistelmä
Complexes of three molecularly designed phenylacetohydrazide Schiff base derivatives—N′‐(2‐hydroxybenzylidene)‐2‐phenylacetohydrazid (HL1), N‐(1‐(2‐hydroxyphenyl)ethylidene)‐2‐phenylacetohydrazide (HL2), and N′‐((1‐hydroxynaphthalen‐2‐yl)methylene)‐2‐phenylacetohydrazide (HL3)—with some bivalent metal ions were synthesized and investigated by several spectroscopic and analytical techniques. The crystal structure of HL1 ligand has been solved by conventional X‐ray diffraction technique. Molecular geometries of HL1 and the studied complexes were investigated using the DFT‐B3LYP/GENECP level of theory. Quantum and non‐quantum global reactivity descriptors as well as the nonlinear optical properties were calculated. Biological parameters such as antimicrobial and antioxidant activities, fluorescence quenching studies, and viscosity measurements of the complexes were carried out. Molecular docking studies of HL1 and complexes using Molecular Operating Environment (MOE) software are reported. The different biological studies and the molecular docking were correlated to each other. The biological studies supported that the complexes can bind to DNA via intercalative mode and showed a various DNA binding potency.
YSO-asiasanat: kompleksiyhdisteet; koboltti; nikkeli; kupari; röntgenkristallografia; tiheysfunktionaaliteoria; optiset ominaisuudet; biologinen aktiivisuus
Vapaat asiasanat: biological activity; CT‐DNA binding; DFT studies; molecular docking; nonlinear optical properties; X‐ray analysis
Liittyvät organisaatiot
OKM-raportointi: Kyllä
Raportointivuosi: 2021
JUFO-taso: 1