Scopus (CiteScore 2022 =3.0, Q3) , ISC

Document Type : Original Research Article


Faculty of Chemistry, Department of Chemistry, North Tehran Branch, Islamic Azad University, Tehran, Iran



In this study, since the system was relatively large, the modified methods of molecular mechanics and quantum mechanics were used to obtain changes in the thickness of the membrane phospholipids by different solvents. Thus, according to the theory of fluidity Mosaic, the changes that were made due to various solutions and, consequently, the constant change of solution dielectric effect on the thickness of the phospholipid membrane. By comparing these changes, it was found that changes in the width of the inner layers in the vicinity of different solvents, with the shift from this effect, are consistent with the total width of the phospholipid membrane. It seems to be the determining factor in changing the width of the diaphragm against different solvents of the phospholipid inner layer. Accordingly, the depth of membrane thinning was calculated for each solvent in comparison with the water solution, which was reduced by decreasing the solvent dielectric constant, thinning of the solution and the phospholipid membrane, respectively. Thermodynamic functions for the usual solution were calculated using frequency studies and thermodynamic relations. These functions indicate that the system is stable in terms of thermodynamics and stabilizes the desired solution without distorting structural integrity. Hence, these structures can be used as agents for the delivery, exchange, and absorption of materials. The membrane structures studied in this study are used in the mechanism, and drug delivery interactions in the body and the pharmaceutical industry as a channel for the delivery and exchange, and these results can be used in the discussion of intelligent redeploy of drugs and Nano drug. So, paying attention to the operating environment and the thinning factor and the thickness of the membrane increase the reactivity, improve the solubility and delivery of drugs, reduce the dose of the medicine and increase its effectiveness.

Graphical Abstract

Quantum study of solvent effect with POPC phospholipid bilayers in a cell membrane and its impact on active and targeted drug delivery


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