Uma nova perspectiva para a administração de fármacos em células biológicas: encapsulamento de íons de metais do grupo 2 em óxidos híbridos semicondutores do grupo 14 por meio da técnica de substituição iônica.

Background: Recently, group IV oxide has emerged as drug delivery systems. Therefore, in this article, it has been evaluated the promising alternative alkaline earth metals of beryllium-ion, magnesium-ion, calcium-ion delivery. This paper reports the presence of human cells of an additional ouabain-insensitive transport pathway for Mg2+–Be2+ and Mg2+–Ca2+ and ions cotransport. Methodology: A vast study on ion delivery by [SiGe]O2 or [SiSn]O2 complex was probed using computational  approaches due to density state analysis of charge density differences (CDD), total density of state (TDOS), localized orbital locator (LOL) through formation of [Si(Mg2+Be2+)Ge]O2, [Si(Mg2+Be2+)Sn]O2, [Si(Mg2+Ca2+)Ge]O2 and [Si(Mg2+Ca2+)Sn]O2 heteroclusters using density functional theory (DFT) method. Results and Discussion: Higher Ge/Sn to Si content can increase cell capacity through Mg+Be+ [SiO–GeO], Mg2+Be2+ [SiO–SnO], Mg2+Ca2+ [SiO–GeO] and Mg2+Ca2+ [SiO–SnO] nanoclusters for ion adsorption process and might improve the rate performances by enhancing electrical conductivity. Besides, [SiGe]O2 or [SiSn]O2 anode material may advance cycling consistency by excluding electrode decline and augments the capacity owing to higher surface capacitive impacts. The fluctuation in charge density values demonstrates that the electronic densities were mainly located in the boundary of adsorbate/adsorbent atoms during the adsorption status. Among these, beryllium-ion, magnesium-ion, calcium-ion transfer seems to show the most promise in terms of initial capacity. The nanoclusters of [SiGe]O2 and [SiSn]O2 coordinated by X2+ (X=Be, Ca) cation have Es values that are largely independent of pH as their ligands are always negatively charged within the normal physiological pH range. The measurements provide a way of at least estimating the redox potential of  [SiGe]O2 or [SiSn]O2 cluster and hence provide some insights into the encapsulation of X2+ cation (X=Be, Ca) through substitution with Mg2+cation.  Conclusions: This ion transport can create and maintain an electrochemical gradient, which is crucial for various cellular processes, including cell volume regulation, electrical excitability, and secondary active transport. Current study wants to discover deeper into several aspects of this molecular entity, such as describing its structure and mode of operation in atomic detail, understanding its molecular and functional diversity.