Abstract
Importance of membrane phospholipids and their various applications in various sciences and industries including chemistry and biochemistry, chemical sensors and treatment of diseases and effective delivery of drugs and materials through cellular membrane is clear. Investigation of the NMR parameters including isotropy of the isotropic value (σiso), anisotropy chemical shift (σaniso), reduced anisotropy (δ), asymmetric parameter (η) of the anisotropy parameter (Δσ) and skew parameter (Ҡ) enables the recognition of target active centers. Phospholipid structure was optimized using calculation of molecular mechanics and quantum mechanics. Then, using ab initio calculations, factors of NMR chemical isotropy tensor were calculated for membrane phospholipids. According to results, it was found out that carbon no. 2 bonded to nitrogen and after that, no. 32 carbon atom bonded to the oxygen have most contribution to the dynamics movements of phospholipid in membrane. It can be concluded that high electronegativity of the nitrogen and oxygen plays an important role in sensitivity of the phospholipid carbons. Increased number of electronegative agents in the phospholipid results in better control of the dynamic role of the membrane. Evaluation of the NMR parameters of phospholipid structure led to recognition of the active centers and owing to the mutual effect of these centers, transfer and exchange in these active sites and if agents similar to the human’s genetic structure are taken into account for transfer and exchange, they can be very useful and rapid transmitters for delivery of drugs to the target cells.
Highlights
One of the biological processes of organisms and enzymatic reactions is the reaction of membrane phospholipids (Young, 2001)
Phospholipids are the most important polar lipids which constitute the main part of the cellular shell in all organisms
In this study, using quantum mechanics computations, the Nuclear resonance spectrometry (NMR) parameters of phospholipid structures are computed which enables the recognition of Phospholipid active centers having high electronegativity
Summary
One of the biological processes of organisms and enzymatic reactions is the reaction of membrane phospholipids (Young, 2001). Cellular membrane is a structure having 7-10 nm thickness which determines the borders of the cells and controls the materials exchange between cell and surrounding environment as a selection barrier. Phospholipid is a type of lipid composed of a glycerol molecule and a phosphate molecule. This material is available in cellular membrane of all living organisms. Cellular shell or plasma membrane refers to one- or two-layer phospholipid shell around the cells. Phospholipids are the most important polar lipids which constitute the main part of the cellular shell in all organisms. Phospholipids form a two-layer membrane to act as a protective and selective barrier and adjust the survival of the cell. Following instructions are used for calculation of the magnetic resonance (Elsagh et al, 2014)
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