| Yazarlar (1) |
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Türkiye |
| Özet |
| Abstract: Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. This study illustrates a capacitor model of biological cell membrane including 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC), 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC), 1,2-dioleoyl-sn-glycero-3-phosphocholine (POPC), 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC), glycerol-phospholibids,1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine (PC), 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine (PE), and 1-stearoyl-2-oleoylsn-glycero-3-phosphocholine (SOPC) structures. The electron density profile models, electron localization function (ELF) and local information entropy have been applied to study the interaction of proteins with lipid bilayers in the cell membrane. The quantum and coulomb blockade effects of different thicknesses in the membrane have also been specifically investigated. It has been exhibited the quantum effects can appear in a small region of the free space within the membrane thickness due to the number and type of phospholipid layers. In addition, from the viewpoint of quantum effects by Heisenberg rule, it is shown the quantum tunneling is allowed in some micro positions while it is forbidden in other forms of membrane capacitor systems. Due to the dynamical behavior of the cell membrane, its capacitance is not fixed which results in a variable capacitor. In presence of the external fields through protein trance membrane or ions, charges exert forces that can influence the state of the cell membrane. This causes to appear the charge capacitive susceptibility that can resonate with self-induction of helical coils; the resonance of which is the main reason for various biological pulses. |
| Anahtar Kelimeler |
| DPPC | DMPC | DLPC | SOPC | POPC | Pc | PS | PE | lipid bilayers | cell membranes |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | ESCI dergilerinde yayımlanan tam makale |
| Dergi Adı | RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B |
| Dergi ISSN | 1990-7931 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Exp, SCOPUS, CCR Database, Chemistry Server Reaction Center, Curation, Current Contents Physical Chemical & Earth Sciences, Essential Science Indicators, Reaction Citation Index, Reference Master, Sophia |
| Makale Dili | İngilizce |
| Basım Tarihi | 06-2025 |
| Cilt No | 19 |
| Sayı | 3 |
| Sayfalar | 613 / 631 |
| Doi Numarası | 10.1134/S1990793125700290 |
| Atıf Sayıları |
