Open Access

ARTICLE

Computational Study Analysis of Adsorption Behavior of MgFe₂O₄-Collagen Hydrogels with Spinal Cord Tissues

Imandeena Sofileeya^1,2, Surajudeen Sikiru^1,2,*, Nur Hidayah Shahemi¹, Niraj Kumar³, Mohd Muzamir Mahat^1,*

1 School of Physics & Materials Studies, Faculty of Applied Sciences, Universiti Teknologi MARA (UiTM), Shah Alam, 40450, Selangor Darul Ehsan, Malaysia
2 Sustainable Energy Materials Laboratory, Faculty of Applied Sciences, Universiti Teknologi MARA (UiTM), Shah Alam, 40450, Selangor Darul Ehsan, Malaysia
3 Department of Electronic & Communication Engineering, Graphic Era (Deemed to be University Dehradun), Uttarakhand, 248002, India

* Corresponding Authors: Surajudeen Sikiru. Email: ; Mohd Muzamir Mahat. Email:

(This article belongs to the Special Issue: Innovative Smart Polymeric Materials for Sustainable Energy Solutions: Bridging Advances in Energy and Biomedical Applications)

Journal of Polymer Materials 2025, 42(3), 713-728. https://doi.org/10.32604/jpm.2025.065378

Received 11 March 2025; Accepted 16 July 2025; Issue published 30 September 2025

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 MgFe₂O₄ 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 MgFe₂O₄ 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 MgFe₂O₄ 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-MgFe₂O₄ 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.

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