| Makale Türü | Özgün Makale (SCOPUS dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience | ||
| Dergi ISSN | 1546-1955 Dergi Bilgileri (2016) | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 01-2016 |
| Cilt / Sayı / Sayfa | 13 / 1 / 208–219 | DOI | 10.1166/jctn.2016.4791 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84973483454&partnerID=MN8TOARS | ||
| UAK Araştırma Alanları |
Ziraat, Orman ve Su Ürünleri
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| Özet |
| Parkinson's disease (PD) is the second most common neurodegenerative disorder, affecting 1.5% of the global population over 65 years of age. Levodopa (LD), a phenolic compound, is the most frequently prescribed drug for the treatment of PD. In this work, we have studied the LD adsorbed covalently and non-covalently on M41-APTES using B3LYP and M06-2X method and 6-31G∗ at different distances. The 1H and 13C, 17O and 15N nuclear magnetic resonance (NMR), ChelpG and NBO were carried out by DFT method for M41-APTES-LD at 1.5 and 3.5 A. Density functional theory (DFT) calculations were performed using GAMESS-US package of program. In this work the 1H, 13C, NMR parameters and σ |
| Anahtar Kelimeler |
| Adsorption | DFT | Levodopa | Mesoporous Silica Nanoparticle | Nano-Carrier |
| Atıf Sayıları | |
| Scopus | 11 |
| Dergi Adı | JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE (DISCONTINUED) |
| Kısa Adı | |
| Yayıncı | American Scientific Publishers |
| Açık Erişim | Hayır |
| ISSN | 1546-1963 |
| E-ISSN | 1546-1955 |
| Scopus Quartile | Q3 |
| Tarandığı Indeksler | Scopus |
| WoS Kategoriler | |
| Scopus Kategoriler | CHEMISTRY (MISCELLANEOUS) | ELECTRICAL AND ELECTRONIC ENGINEERING | MATERIALS SCIENCE (MISCELLANEOUS) | COMPUTATIONAL MATHEMATICS | CONDENSED MATTER PHYSICS | NANOSCIENCE AND NANOTECHNOLOGY |