Ti-Based Template Incorporated with RGD Amino Motif as a Domain Supporting Self-Assembly of Extracellular Matrix in Bone Tissue Regeneration: Preparation, Characterization, and Correlated Structure to Identified Application
- 1Prince of Songkla University , , , ,
- 2Walailak University , , ,
Abstract
Bone tissue engineering utilizing bioactive materials represents a promising strategy for regenerating bone defects and stimulating new tissue growth. In this study, a biocompatible, bone-mimicking material was developed by incorporating the arginine–glycine–aspartate (RGD) amino motif onto the surface of a titanium-based metal–organic framework (MOF), MIL-125, using a simple solvent-soaking method to impart osteoinductive properties. The molecular incorporation, phase composition, and surface morphology of the functionalized MIL-125 powder were comprehensively characterized using microdifferential scanning calorimetry (Micro-DSC), XRD, SEM, EDX, and FT-IR. Among the investigated conditions, the MIL-125 sample prepared with 0.25 mg of RGD and a 36 h soaking time exhibited the most favorable physicochemical characteristics based on the combined structural, spectroscopic, thermal, elemental, and morphological analyses. SEM analysis revealed the initial development of needle-like RGD-associated structures at 0.15 mg of RGD, which was consistent with the appearance of an exothermic Micro-DSC peak associated with RGD interaction with the MIL-125 surface. Furthermore, quantum chemical calculations were performed to elucidate the molecular-level interaction mechanisms between the peptide and the MOF framework. The computational results uncovered two stable adsorption configurations within the MIL-125 pore structure. Among these, the aspartic acid (ASP)-terminal-coordinated titanium oxide cluster of MIL-125 exhibited the highest thermodynamic stability, possessing an adsorption energy of −24.99 kcal/mol, which was more than 2-fold stronger than the arginine (ARG)-terminal interaction. This strong electronic binding corroborates the experimentally observed RGD immobilization. Ultimately, these fundamental insights into RGD–MOF chemical interactions provide a robust framework for developing advanced bioactive components suitable for orthopedic regeneration applications.
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BibTeX
@article{srifa2026tibased,
title = {{Ti-Based Template Incorporated with RGD Amino Motif as a Domain Supporting Self-Assembly of Extracellular Matrix in Bone Tissue Regeneration: Preparation, Characterization, and Correlated Structure to Identified Application}},
author = {Pemikar Srifa and Si Thu Myint Maung and Dhassida Sooksawat and Yuwanda Injongkol and Kantida Juncheed and Kantapon Dissaneewate and Jirut Meesane},
journal = {ACS Omega},
year = {2026},
month = nov,
doi = {10.1021/acsomega.6c08486},
url = {https://pubs.acs.org/acsodf/article/doi/10.1021/acsomega.6c08486/5465912/Ti-Based-Template-Incorporated-with-RGD-Amino},
note = {CC BY-NC-ND 4.0},
}
RIS
TY - JOUR
TI - Ti-Based Template Incorporated with RGD Amino Motif as a Domain Supporting Self-Assembly of Extracellular Matrix in Bone Tissue Regeneration: Preparation, Characterization, and Correlated Structure to Identified Application
AU - Pemikar Srifa
AU - Si Thu Myint Maung
AU - Dhassida Sooksawat
AU - Yuwanda Injongkol
AU - Kantida Juncheed
AU - Kantapon Dissaneewate
AU - Jirut Meesane
PY - 2026
DA - 2026/11/06
JO - ACS Omega
DO - 10.1021/acsomega.6c08486
UR - https://pubs.acs.org/acsodf/article/doi/10.1021/acsomega.6c08486/5465912/Ti-Based-Template-Incorporated-with-RGD-Amino
AB - Bone tissue engineering utilizing bioactive materials represents a promising strategy for regenerating bone defects and stimulating new tissue growth. In this study, a biocompatible, bone-mimicking material was developed by incorporating the arginine–glycine–aspartate (RGD) amino motif onto the surface of a titanium-based metal–organic framework (MOF), MIL-125, using a simple solvent-soaking method to impart osteoinductive properties. The molecular incorporation, phase composition, and surface morphology of the functionalized MIL-125 powder were comprehensively characterized using microdifferential scanning calorimetry (Micro-DSC), XRD, SEM, EDX, and FT-IR. Among the investigated conditions, the MIL-125 sample prepared with 0.25 mg of RGD and a 36 h soaking time exhibited the most favorable physicochemical characteristics based on the combined structural, spectroscopic, thermal, elemental, and morphological analyses. SEM analysis revealed the initial development of needle-like RGD-associated structures at 0.15 mg of RGD, which was consistent with the appearance of an exothermic Micro-DSC peak associated with RGD interaction with the MIL-125 surface. Furthermore, quantum chemical calculations were performed to elucidate the molecular-level interaction mechanisms between the peptide and the MOF framework. The computational results uncovered two stable adsorption configurations within the MIL-125 pore structure. Among these, the aspartic acid (ASP)-terminal-coordinated titanium oxide cluster of MIL-125 exhibited the highest thermodynamic stability, possessing an adsorption energy of −24.99 kcal/mol, which was more than 2-fold stronger than the arginine (ARG)-terminal interaction. This strong electronic binding corroborates the experimentally observed RGD immobilization. Ultimately, these fundamental insights into RGD–MOF chemical interactions provide a robust framework for developing advanced bioactive components suitable for orthopedic regeneration applications.
SN - 2470-1343
ER -