Theoretical Investigation of Carbon Nanotube Binding to DNA in View of Drug Delivery
Yazarlar (3)
B. Ghalandari
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Monajjemim.
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Computational and Theoretical Nanoscience (Q4) | ||
| Dergi ISSN | 1546-1955 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 07-2011 |
| Cilt / Sayı / Sayfa | 8 / 7 / 1212–1219 | DOI | 10.1166/jctn.2011.1801 |
| Makale Linki | http://dx.doi.org/10.1166/jctn.2011.1801 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| To demonstrate the physical and chemical properties of biomolecules and identify new material of drug properties, the interaction of carbon nanotubes (CNTs) with biomolecules is a subject of many experiments today but there are many questions here that we don't have any answer for them until now. In this work, applying molecular mechanic (MM) method with optimized potential for liquid simulations (OPLS), force field and quantum mechanics (QM) method—using density functional theory (DFT) with B3LYP keyword—we carried out a theoretical study on single strand DNA (ssDNA) interaction with single walled carbon nanotube (SWNT). We could investigate solvent-induced effects on the structural stability caused by this interaction and compared it with vacuum. Our results revealed that the interaction of ssDNA with open-end of SWNT has minimum value of energy interaction and then most structural stability in … |
| Anahtar Kelimeler |
| DFT | Dielectric Constant | Dihedral Angle | Interaction Energy | Onsager | Single Strand DNA | Single Walled Carbon Nanotube (SWNT) | Solvent Effect |
| Atıf Sayıları | |
| Web of Science | 52 |
| Scopus | 90 |
| Google Scholar | 82 |