Functionalized mesoporous silica nanoparticle for levodopa delivery: A combination with SWCNTs
Yazarlar (1)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
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 01-2016
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
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 σiso, σaniso, η and κ, for M41-APTES-LD at 1.5 A and 3.5 A have been calculated. We have shown the N11.N92 and N92.N95 bond has high hyper-conjugation energy than other bonds.
Anahtar Kelimeler
Adsorption | DFT | Levodopa | Mesoporous Silica Nanoparticle | Nano-Carrier
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Scopus 10
Functionalized mesoporous silica nanoparticle for levodopa delivery: A combination with SWCNTs

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