Thermodynamic and solvent effect on dynamic structures of nano bilayer-cell membrane: Hydrogen bonding study
Yazarlar (7)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Islamic Azad University, Qom Branch, İran
Alireza Ilkhani Islamic Azad University, Yazd Branch, İran
Neda Sakhaei
Islamic Azad University, Yazd Branch, İran
Islamic Azad University, Yazd Branch, İran
Behnaz Bonsakhteh Islamic Azad University, Science And Research Branch, İran
Afsaneh Faridchehr
Islamic Azad University, Science And Research Branch, İran
Islamic Azad University, Science And Research Branch, İran
Sogand Tohidi Islamic Azad University, Science And Research Branch, İran
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 | 01-2015 |
| Cilt / Sayı / Sayfa | 12 / 10 / 3148–3154 | DOI | 10.1166/jctn.2015.4092 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-84960194008&partnerID=MN8TOARS | ||
| Özet |
| A quantum calculation for various phospholipids were performed using DFT and HF methods. Geometry optimization and thermodynamic data over the 300-335 K temperature range are included in the supporting information the effect of the polarity of the environment on the conformation of the membrane lipid has been investigated with calculation at the DFT and HF level using cc-pvdz and 6-31G∗basis sets with the Onsager continuum solvation model Furthermore we have theoretically studied the complexes DPPE with water molecules which have surrounded its head group. Theoretical data shows that the interaction of head group of DPPE with water molecules causes some changes in the geometry of DPPE which were explained by the contribution of zwitterionic form of DPPE macromolecule, and finally hydrated DPPE becomes stable complex. |
| Anahtar Kelimeler |
| DPPE | Hydrogen Bonding | Membrane | PI | PS | Solvent Effect |
| Atıf Sayıları | |
| Scopus | 92 |