| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience | ||
| Dergi ISSN | 1546-1955 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 01-2015 |
| Cilt / Sayı / Sayfa | 12 / 11 / 4076–4086 | DOI | 10.1166/jctn.2015.4321 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84964956435&partnerID=MN8TOARS | ||
| Özet |
| Gossypin is a pentahydroxy flavone glucoside found in the flowers of Hibiscus vitifolius and Hibiscus esculentus and Gossypium indicum. The antioxidant nature, hypocholesterolemic effects, and nuclear factor (NF)-jB inactivation properties of gossypin suggest that this flavonoid may have modulatory effects on diabetes. The streptozotocin (STZ)-induced diabetic animal model resembles diabetes in humans by many ways. The study of gossypin jointed to different single-walled carbon nanotube (SWCNT) has been depicted by quantum calculations. It has been founded the optimized structural and functional of this compound. A number of theoretical studies applied to verdict the conformational preferences that may be attributed to stereo electronic effects. These data show the best structure of gossypin jointed to SWCNT, and calculated potential energy for important dihedral angles of optimized structure. Also, the gossypin-SWCNT structure has been displayed different spectrum of NMR by GIAO approximation, which appears the results of the determination of the number of active sites in gossypin-SWCNTs that has the most activity at indicated model. This compound provides an atomistic analysis of the gossypin-SWCNT strategy and its application for further investigations of drugs. |
| Anahtar Kelimeler |
| CNT | DFT | Gossypin | NMR | SWCNT |
| Atıf Sayıları | |
| Scopus | 22 |
| Dergi Adı | Journal of Computational and Theoretical Nanoscience |
| Yayıncı | American Scientific Publishers |
| Açık Erişim | Hayır |
| ISSN | 1546-1955 |
| E-ISSN | 1546-1963 |
| CiteScore | 1,4 |
| SJR | 0,172 |
| SNIP | 0,567 |