Nanotechnology approach on anticancer and antiviral properties of Consolida Sp.: The study of dipole moment and nuclear magnetic resonance (NMR)
Yazarlar (4)
Makale Türü Açık Erişim Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı AFRICAN JOURNAL OF MICROBIOLOGY RESEARCH (Q4)
Dergi ISSN 1996-0808 Dergi Bilgileri (2011)
Makale Dili İngilizce Basım Tarihi 11-2011
Kabul Tarihi Yayınlanma Tarihi 09-11-2011
Cilt / Sayı / Sayfa 5 / 25 / 4344–4352 DOI 10.5897/AJMR11.427
Makale Linki https://academicjournals.org/article/article1380378948_Monajjemi%20et%20al.pdf
UAK Araştırma Alanları
Fen Bilimleri ve Matematik
Özet
14-O-demethyledelboxine is one of the most important alkaloids in Consolida species. It is toxic and has many effects in body. In this article, we used dipole moment and nuclear magnetic resonance (NMR) to describe this molecule properties. Nanoparameters and chemical shift calculations, geometry optimization and energies have been performed with ab initio method at HF/Sto-3G, B3Lyp/6-31G and B3Lyp/6-31G* levels with magnetic properties of the gauge-including atomic orbital method. According to this study this molecule has polarity, therefore it can highly react with microtubules. So it is recommended that more study in this molecule and the groups can be bound to evaluate these characters so it could be useful. Dipole moment calculations approve ab initio methods according to these results.
Anahtar Kelimeler
14-o-demethyldelboxine | nuclear magnetic resonance (NMR) | B3lyp | isotropy | anisotropy