@Article{jpm.2025.065378,
AUTHOR = {Imandeena Sofileeya, Surajudeen Sikiru, Nur Hidayah Shahemi, Niraj Kumar, Mohd Muzamir Mahat},
TITLE = {Computational Study Analysis of Adsorption Behavior of MgFe<sub><b>2</b></sub>O<sub><b>4</b></sub>-Collagen Hydrogels with Spinal Cord Tissues},
JOURNAL = {Journal of Polymer Materials},
VOLUME = {42},
YEAR = {2025},
NUMBER = {3},
PAGES = {713--728},
URL = {http://www.techscience.com/jpm/v42n3/64015},
ISSN = {0976-3449},
ABSTRACT = {Spinal cord injury presents a significant challenge in regenerative medicine due to the complex and delicate nature of neural tissue repair. This study aims to design a conductive hydrogel embedded with magnetic MgFe<sub>2</sub>O<sub>4</sub> nanoparticles to establish a bioelectrically active and spatially stable microenvironment that promotes spinal cord regeneration through computational analysis (BIOVIA Materials Studio). Hydrogels, known for their biocompatibility and extracellular matrix-mimicking properties, support essential cellular behaviors such as adhesion, proliferation, and migration. The integration of MgFe<sub>2</sub>O<sub>4</sub> nanoparticles imparts both electrical conductivity and magnetic responsiveness, enabling controlled transmission of electrical signals that are crucial for guiding cellular processes like differentiation and directed migration. Furthermore, the hydrogel acts as a delivery medium, facilitating the adsorption of MgFe<sub>2</sub>O<sub>4</sub> nanoparticles onto spinal tissue through strong Van der Waals and intramolecular interactions. The computational simulations revealed a robust adsorption profile, with a binding distance of 20.180 Å and a cumulative adsorption energy of 2740.42 kcal/mol, indicating stable nanoparticle-tissue interactions. Pressure-dependent sorption analysis further demonstrated that reduced pressure conditions enhance adsorption strength, promoting tighter material-tissue integration. The adverse Van der Waals energy and increased intramolecular energy observed under these conditions underscore the importance of optimized adsorption settings for functional tissue interface formation. Altogether, the conductive hydrogel-MgFe<sub>2</sub>O<sub>4</sub> composite system offers a promising therapeutic platform by combining structural support, electrical stimulation, and magnetic guidance, thereby enhancing cell-material interactions and fostering an environment conducive to spinal cord tissue repair.},
DOI = {10.32604/jpm.2025.065378}
}