Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale
Polymethyl methacrylate (PMMA)-based bone cement (BC) is a key material in joint replacement surgery that transfers external forces from the implant to the bone while allowing their robust binding. To quantitatively evaluate the effect of polymerization on the thermomechanical properties of the BC a...
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MDPI AG
2021-03-01
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| Series: | Applied Sciences |
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| Online Access: | https://www.mdpi.com/2076-3417/11/7/2937 |
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| author | Hongdeok Kim Byeonghwa Goh Sol Lee Kyujo Lee Joonmyung Choi |
| author_facet | Hongdeok Kim Byeonghwa Goh Sol Lee Kyujo Lee Joonmyung Choi |
| author_sort | Hongdeok Kim |
| collection | DOAJ |
| description | Polymethyl methacrylate (PMMA)-based bone cement (BC) is a key material in joint replacement surgery that transfers external forces from the implant to the bone while allowing their robust binding. To quantitatively evaluate the effect of polymerization on the thermomechanical properties of the BC and on the interaction characteristics with the bone ceramic hydroxyapatite (HAp), molecular dynamics simulations were performed. The mechanical stiffness of the BC material under external loading increased gradually with the crosslinking reaction occurrence, indicating increasing load transfer between the constituent molecules. In addition, as the individual Methyl Methacrylate (MMA) segments were interconnected in the system, the freedom of the molecular network was largely suppressed, resulting in more thermally stable structures. Furthermore, the pull-out tests using HAp/BC bilayer models under different constraints (BC at 40% and 85%) revealed the cohesive characteristics of the BC with the bone scaffold in molecular detail. The stiffness and the fracture energy increased by 32% and 98%, respectively, with the crosslink density increasing. |
| first_indexed | 2024-03-10T12:55:04Z |
| format | Article |
| id | doaj.art-5ce7049bf84d47ffb8005fac0c00faf0 |
| institution | Directory Open Access Journal |
| issn | 2076-3417 |
| language | English |
| last_indexed | 2024-03-10T12:55:04Z |
| publishDate | 2021-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Applied Sciences |
| spelling | doaj.art-5ce7049bf84d47ffb8005fac0c00faf02023-11-21T11:58:38ZengMDPI AGApplied Sciences2076-34172021-03-01117293710.3390/app11072937Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in NanoscaleHongdeok Kim0Byeonghwa Goh1Sol Lee2Kyujo Lee3Joonmyung Choi4Department of Mechanical Design Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, KoreaDepartment of Mechanical Design Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, KoreaBBKO Co. Ltd., 64 Keunumul-ro, Mapo-gu, Seoul 04166, KoreaDepartment of Orthopedic Surgery, Nanoori Hospital Suwon, 295 Jungbu-daero, Yeongtong-gu, Suwon 16503, KoreaDepartment of Mechanical Design Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul 04763, KoreaPolymethyl methacrylate (PMMA)-based bone cement (BC) is a key material in joint replacement surgery that transfers external forces from the implant to the bone while allowing their robust binding. To quantitatively evaluate the effect of polymerization on the thermomechanical properties of the BC and on the interaction characteristics with the bone ceramic hydroxyapatite (HAp), molecular dynamics simulations were performed. The mechanical stiffness of the BC material under external loading increased gradually with the crosslinking reaction occurrence, indicating increasing load transfer between the constituent molecules. In addition, as the individual Methyl Methacrylate (MMA) segments were interconnected in the system, the freedom of the molecular network was largely suppressed, resulting in more thermally stable structures. Furthermore, the pull-out tests using HAp/BC bilayer models under different constraints (BC at 40% and 85%) revealed the cohesive characteristics of the BC with the bone scaffold in molecular detail. The stiffness and the fracture energy increased by 32% and 98%, respectively, with the crosslink density increasing.https://www.mdpi.com/2076-3417/11/7/2937bone cementPMMAhydroxyapatitemolecular dynamics simulation |
| spellingShingle | Hongdeok Kim Byeonghwa Goh Sol Lee Kyujo Lee Joonmyung Choi Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale Applied Sciences bone cement PMMA hydroxyapatite molecular dynamics simulation |
| title | Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale |
| title_full | Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale |
| title_fullStr | Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale |
| title_full_unstemmed | Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale |
| title_short | Computational Study on Interfacial Interactions between Polymethyl Methacrylate-Based Bone Cement and Hydroxyapatite in Nanoscale |
| title_sort | computational study on interfacial interactions between polymethyl methacrylate based bone cement and hydroxyapatite in nanoscale |
| topic | bone cement PMMA hydroxyapatite molecular dynamics simulation |
| url | https://www.mdpi.com/2076-3417/11/7/2937 |
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