An efficient approach to study membrane nano-inclusions: from the complex biological world to a simple representation. Issue 18 (16th March 2021)

• Record Type: Journal Article
• Authors: Lemaalem, M.; Hadrioui, N.; El Fassi, S.; Derouiche, A.; Ridouane, H.
• Is Part Of: RSC advances. Volume 11:Issue 18(2021)
• Page Start: 10962
• Page End: 10974
• Publication Date: 2021-03-16
• Subjects: Chemistry -- Periodicals; 540.5
• DOI: 10.1039/d1ra00632k
• Languages: English
• ISSNs: 2046-2069

Abstract

Abstract : Membrane nano-inclusions are of great interest in biophysics, materials science, nanotechnology, and medicine. In this work, We combined MD simulations and theories to reveal their physics behavior. Abstract : Membrane nano-inclusions (NIs) are of great interest in biophysics, materials science, nanotechnology, and medicine. We hypothesized that the NIs within a biological membrane bilayer interact via a simple and efficient interaction potential, inspired by previous experimental and theoretical work. This interaction implicitly treats the membrane lipids but takes into account its effect on the NIs micro-arrangement. Thus, the study of the NIs is simplified to a two-dimensional colloidal system with implicit solvent. We calculated the structural properties from Molecular Dynamics simulations (MD), and we developed a Scaling Theory to discuss their behavior. We determined the thermal properties through potential energy per NI and pressure, and we discussed their variation as a function of the NIs number density. We performed a detailed study of the NIs dynamics using two approaches, MD simulations, and Dynamics Theory. We identified two characteristic values of number density, namely a critical number density n c = 3.67 × 10 −3 Å −2 corresponded to the apparition of chain-like structures along with the liquid dispersed structure and the gelation number density n g = 8.40 × 10 −3 Å −2 corresponded to the jamming state. We showed that the aggregation structure of NIs is of fractal dimension d F < 2. Also, we identified three diffusion regimes of membrane NIs, namely, normal for n < n c, subdiffusive for n c ≤ n < n g, and blocked for n ≥ n g . Thus, this paper proposes a simple and effective approach for studying the physical properties of membrane NIs. In particular, our results identify scaling exponents related to the microstructure and dynamics of membrane NIs.