Carbazochrome carbon nanotube as drug delivery nanocarrier for anti-bleeding drug: quantum chemical study
Yazarlar (5)
Hakan S. Sayiner
Adiyaman Üniversitesi, Türkiye
Adiyaman Üniversitesi, Türkiye
Prof. Dr. Fatma Kandemirli Kastamonu Üniversitesi, Türkiye
Prof. Dr. Serap Senturk Dalgic Trakya Üniversitesi, Türkiye
Prof. Dr. Majıd MONAJJEMI Kastamonu Üniversitesi, Türkiye
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SCOPUS dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Modeling | ||
| Dergi ISSN | 1610-2940 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Exp, SCOPUS, Curation, Current Contents Life Sciences, Current Contents Physical Chemical & Earth Sciences, Essential Science Indicators, Reference Master, Sophia | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2022 |
| Cilt / Sayı / Sayfa | 28 / 1 / 11–0 | DOI | 10.1007/s00894-021-04948-1 |
| Makale Linki | https://link.springer.com/article/10.1007/s00894-021-04948-1 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
|
||
| Özet |
| The interaction between drugs and single-walled carbon nanotubes is proving to be of fundamental interest for drug system of delivery and nano-bio-sensing. In this study, the interaction of pristine CNT with carbazochrome, an anti-hemorrhagic or hemostatic agent, was investigated with M06-2X functional and 6-31G* basis set. All probable positions of related adsorption for these kind drugs were thought-out to find out which one is energetically suitable. Based on the achieved data, the stronger interactions appeared the oxygen atom of C = O group and nitrogen atom of imine groups. The topology analysis of QTAIM (quantum theory of atoms in a molecule) method was accomplished to understand the properties of interactions between the CNT and carbazochrome. Frontier molecular orbital energies of all systems, global index including stiffness, softness, chemical Gibbs energies, and electrophilicity parameters … |
| Anahtar Kelimeler |
| Carbazochrome | CNT | Drug delivery | ELF | QTAIM |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 18 |
| Scopus | 21 |
| Google Scholar | 33 |